data_2l0c_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 2l0c _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 . . . . . 0 N--CA 1.448 -0.557 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.567 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 97.9 mt-30 -116.05 123.47 48.02 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.876 -177.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -142.58 150.59 40.55 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 175.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -77.6 129.62 35.84 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.784 0.326 . . . . 0.0 110.373 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.2 m -130.34 171.13 18.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.803 -178.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.517 HG22 ' HG2' ' A' ' 68' ' ' GLN . 87.4 t -109.79 123.84 66.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.493 176.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.2 t -75.53 93.74 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 169.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.2 p -81.69 -57.14 3.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.85 -168.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -155.12 153.76 31.32 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.429 -173.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -84.26 145.76 28.13 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 173.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -137.56 161.5 36.26 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -176.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -145.71 101.02 3.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.93 0.395 . . . . 0.0 110.405 178.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt . . . . . 0 C--N 1.32 -0.703 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.741 173.577 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? . . . . . 0 N--CA 1.455 -0.188 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -72.62 140.22 47.87 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.191 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.693 ' HG2' ' HG2' ' A' ' 54' ' ' ARG . 39.0 mt-10 -104.06 148.57 26.09 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.013 0.435 . . . . 0.0 110.506 -176.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.53 133.44 55.86 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.868 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.1 m -94.53 116.1 28.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.384 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -102.91 110.35 22.24 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 176.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -95.38 128.93 36.55 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.73 -176.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -67.5 132.17 26.52 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.502 2.135 . . . . 0.0 111.609 174.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.7 mt -62.36 -30.19 71.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.821 -177.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -86.83 17.26 4.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.161 0.505 . . . . 0.0 111.645 -175.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.78 143.49 4.88 Favored Glycine 0 C--N 1.317 -0.527 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.563 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.29 179.23 24.98 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.022 177.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.7 mt -74.42 139.02 43.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.868 0.366 . . . . 0.0 110.599 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -65.98 133.07 50.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.805 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -82.87 100.67 10.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.7 m -90.68 101.73 14.48 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.463 -178.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -101.82 141.39 34.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.313 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.693 ' HG2' ' HG2' ' A' ' 39' ' ' GLU . 81.4 mtt-85 -85.88 130.09 34.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.441 -177.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.1 mt -123.91 162.88 22.43 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.886 -175.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -86.05 167.01 15.4 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 172.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.66 97.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.058 0.456 . . . . 0.0 110.645 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -67.8 -29.15 68.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.57 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -81.18 -43.61 19.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.928 -177.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -61.79 -30.3 70.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.2 0.524 . . . . 0.0 110.442 177.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -73.44 -7.52 52.09 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.331 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.28 -15.24 29.47 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -174.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -125.35 168.9 12.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.936 0.398 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.5 m -123.09 136.57 54.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.214 -176.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 55.7 t -69.2 129.85 33.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.508 176.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.84 -19.64 46.38 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.734 -176.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -73.62 96.71 2.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.358 0.599 . . . . 0.0 110.604 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.517 ' HG2' HG22 ' A' ' 10' ' ' VAL . 79.3 mt-30 -67.69 126.22 28.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.419 173.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.38 -178.06 35.0 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.387 -0.911 . . . . 0.0 112.212 -176.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.541 ' HB ' ' HB ' ' A' ' 82' ' ' VAL . 7.5 m -82.96 139.96 33.05 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.887 0.375 . . . . 0.0 110.621 -174.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.567 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 49.2 tp -117.26 126.13 52.24 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 179.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.9 m -102.94 106.72 17.32 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.791 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -140.37 160.13 40.66 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.155 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -124.81 92.31 3.62 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.59 -114.12 4.01 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 -173.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.4 p -103.9 1.43 31.34 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.097 0.475 . . . . 0.0 110.559 175.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 22.8 ttt85 -92.65 112.56 24.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.819 -176.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -70.92 126.94 30.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.812 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.1 t -103.45 -58.84 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.444 177.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -168.24 162.58 36.37 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.542 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -113.59 134.37 54.74 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.541 ' HB ' ' HB ' ' A' ' 70' ' ' THR . 48.4 t -114.13 97.75 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.902 0.382 . . . . 0.0 110.625 -177.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.891 176.981 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 . . . . . 0 N--CA 1.446 -0.628 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.597 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 97.0 mt-30 -124.9 135.96 53.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.803 -176.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -154.59 149.68 26.91 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.244 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.429 ' HA ' ' HA ' ' A' ' 70' ' ' THR . 84.9 mt-30 -80.91 125.4 30.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.12 0.485 . . . . 0.0 110.256 175.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.7 m -129.42 172.66 15.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.569 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.521 HG23 ' HG2' ' A' ' 68' ' ' GLN . 40.6 t -109.42 123.72 65.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.232 178.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.6 t -75.25 97.23 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 173.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.8 m -69.53 -50.87 40.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.751 -173.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -177.25 169.1 2.31 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -176.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -76.97 155.1 32.92 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.934 0.397 . . . . 0.0 109.992 176.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.662 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 3.0 mmp_? -121.79 145.86 47.63 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 174.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -135.97 94.4 3.05 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 -178.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.405 175.778 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.628 ' NE ' ' HA ' ' A' ' 37' ' ' ARG . 2.4 mmp_? . . . . . 0 N--CA 1.45 -0.438 0 CA-C-O 120.803 0.335 . . . . 0.0 110.732 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -125.93 138.18 53.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.727 177.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.681 ' HG2' ' HG2' ' A' ' 54' ' ' ARG . 32.3 mt-10 -127.09 161.04 29.39 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.613 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.5 132.04 56.23 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.82 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.6 t -99.77 114.21 27.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.014 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -102.81 123.61 46.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.534 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.54 ' HA ' ' HG2' ' A' ' 50' ' ' GLU . 4.2 ttmp? -95.04 124.09 55.27 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.248 -177.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 6.2 Cg_exo -74.96 113.61 3.84 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 123.154 2.569 . . . . 0.0 112.024 175.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.1 mt -63.59 -21.08 66.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.175 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -105.03 22.9 14.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.068 0.461 . . . . 0.0 110.889 -175.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.44 137.87 3.79 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.591 -0.732 . . . . 0.0 112.257 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.21 172.19 18.63 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 121.066 -0.588 . . . . 0.0 111.872 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.4 tp -80.76 129.89 34.77 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 176.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.54 ' HG2' ' HA ' ' A' ' 43' ' ' LYS . 46.2 mt-10 -59.97 138.63 57.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.957 0.408 . . . . 0.0 110.881 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -94.68 139.64 30.96 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.429 -176.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.3 m -123.62 117.51 25.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.656 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -120.29 136.84 54.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.222 178.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.681 ' HG2' ' HG2' ' A' ' 39' ' ' GLU . 61.0 mtm180 -79.51 134.27 36.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.207 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.2 mt -126.1 169.07 13.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.47 0.652 . . . . 0.0 111.987 -173.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.512 ' HB2' ' HG3' ' A' ' 59' ' ' GLN . 96.7 mt-30 -90.81 174.16 7.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.519 171.18 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.44 -44.76 86.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.261 0.553 . . . . 0.0 110.518 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -69.77 -21.61 63.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.994 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.512 ' HG3' ' HB2' ' A' ' 56' ' ' GLN . 92.3 mt-30 -84.04 -31.7 25.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.251 0.548 . . . . 0.0 109.7 176.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -68.07 -23.07 64.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.937 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -80.97 -10.31 59.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.481 176.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.15 -8.11 46.55 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -172.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -139.47 141.37 37.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.989 0.423 . . . . 0.0 111.096 179.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.4 m -110.4 139.32 45.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.204 -176.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 69.9 t -64.96 129.06 28.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.574 176.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.88 -25.0 25.83 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 121.011 -0.614 . . . . 0.0 111.936 -177.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -75.94 96.15 3.69 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.281 0.563 . . . . 0.0 110.447 -177.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.521 ' HG2' HG23 ' A' ' 10' ' ' VAL . 73.0 mt-30 -60.24 128.2 35.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.065 174.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.32 172.28 37.52 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.348 -0.93 . . . . 0.0 112.413 -177.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 8' ' ' GLN . 22.9 m -82.72 141.26 32.54 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.034 0.445 . . . . 0.0 111.009 -175.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.597 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 61.2 tp -117.39 127.99 54.58 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.052 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.2 m -104.04 115.85 31.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.873 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.459 ' HA ' HG21 ' A' ' 79' ' ' VAL . 52.2 p90 -144.52 164.69 30.15 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.922 0.391 . . . . 0.0 110.686 178.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -131.83 111.86 11.98 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 177.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.71 -114.39 5.06 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.003 -1.094 . . . . 0.0 110.933 -174.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 37.5 p -117.29 13.96 14.68 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.711 0.291 . . . . 0.0 111.008 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 23.4 ttp180 -102.65 127.67 49.66 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.073 0.464 . . . . 0.0 111.329 -178.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -68.28 118.34 11.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.129 177.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.459 HG21 ' HA ' ' A' ' 73' ' ' TYR . 66.4 t -96.96 -46.85 12.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.805 0.336 . . . . 0.0 110.255 178.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 176.21 148.18 6.84 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.377 177.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -96.08 129.98 43.22 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 176.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 47.0 t -122.85 94.72 3.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.184 0.516 . . . . 0.0 110.65 -176.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.3 t . . . . . 0 C--N 1.319 -0.744 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 174.945 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 . . . . . 0 CA--C 1.515 -0.397 0 CA-C-O 120.926 0.393 . . . . 0.0 110.739 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.448 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 91.8 mt-30 -122.89 109.59 14.34 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.042 176.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -148.48 163.86 35.92 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.57 ' HA ' ' HA ' ' A' ' 70' ' ' THR . 82.6 mt-30 -86.22 134.24 33.79 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 121.019 0.438 . . . . 0.0 110.423 -178.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.65 HG13 ' HA ' ' A' ' 44' ' ' PRO . 31.6 m -131.38 169.65 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.081 -176.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.501 HG22 ' HG2' ' A' ' 68' ' ' GLN . 26.0 t -104.18 117.71 50.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.503 175.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.593 HG23 HD11 ' A' ' 63' ' ' LEU . 40.9 t -68.48 100.07 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 171.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.3 m -77.26 -54.76 6.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.053 -170.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -173.9 163.98 4.16 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -177.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -95.57 140.48 30.34 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 176.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -145.21 152.82 40.58 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.921 0.391 . . . . 0.0 110.678 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -112.4 102.4 10.53 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 176.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.1 mttm . . . . . 0 C--N 1.326 -0.43 0 CA-C-O 121.201 0.524 . . . . 0.0 111.411 -173.363 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.471 HH21 ' CD ' ' A' ' 39' ' ' GLU . 14.1 ptm180 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 121.102 0.477 . . . . 0.0 112.131 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -109.27 111.06 22.43 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 172.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.718 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 37.0 mt-10 -104.48 146.45 28.85 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.55 138.52 52.48 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 120.953 0.406 . . . . 0.0 110.608 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.8 m -94.62 117.57 30.34 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.223 178.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -102.87 119.26 38.53 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.818 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -103.5 106.49 52.16 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.052 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.65 ' HA ' HG13 ' A' ' 9' ' ' VAL . 43.4 Cg_exo -57.21 132.3 50.33 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.762 2.308 . . . . 0.0 112.047 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.7 mt -57.52 -55.8 30.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.331 -176.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -101.57 92.14 4.75 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.742 0.306 . . . . 0.0 111.449 -175.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.47 81.4 0.1 Allowed Glycine 0 N--CA 1.452 -0.261 0 CA-C-N 115.815 -0.63 . . . . 0.0 113.278 175.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.52 ' HA3' ' HB2' ' A' ' 44' ' ' PRO . . . -160.9 144.05 9.53 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.582 179.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.7 tp -90.19 157.26 17.8 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 177.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.43 120.6 10.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.009 0.433 . . . . 0.0 111.93 -177.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -101.47 130.13 47.66 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 170.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.415 HG22 ' HB3' ' A' ' 39' ' ' GLU . 13.3 m -107.31 128.57 54.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.783 0.325 . . . . 0.0 110.976 -175.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -122.92 136.67 54.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.594 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.718 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 77.0 ttt180 -74.11 118.34 16.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.846 178.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 78.7 mt -111.05 152.18 27.19 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.886 0.374 . . . . 0.0 111.394 -175.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -92.5 169.49 10.5 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 171.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.04 -43.62 78.03 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -177.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -60.78 -39.39 88.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.955 0.407 . . . . 0.0 110.812 -177.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -75.02 -28.97 60.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.691 -176.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -80.8 -33.57 34.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.67 178.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -64.48 -33.28 75.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.92 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.86 -3.33 59.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.046 0.45 . . . . 0.0 110.762 177.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.593 HD11 HG23 ' A' ' 11' ' ' VAL . 33.6 tp -103.05 142.78 33.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.378 -176.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.527 ' HB ' ' HB2' ' A' ' 67' ' ' ASP . 89.3 m -123.28 135.07 54.05 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.313 177.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 39.1 t -74.12 122.59 27.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.056 0.455 . . . . 0.0 110.144 177.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.02 -5.61 56.32 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 -174.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.527 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 21.5 t70 -76.64 94.23 3.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.31 0.576 . . . . 0.0 110.141 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.501 ' HG2' HG22 ' A' ' 10' ' ' VAL . 96.6 mt-30 -70.44 115.36 9.53 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.724 173.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.44 175.78 38.01 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.177 -176.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.57 ' HA ' ' HA ' ' A' ' 8' ' ' GLN . 11.5 m -78.79 135.62 37.14 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.095 0.474 . . . . 0.0 111.466 -173.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.448 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 58.0 tp -117.47 134.39 54.9 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.753 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 40.6 t -122.42 122.53 39.2 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.848 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.412 ' HA ' HG21 ' A' ' 79' ' ' VAL . 26.0 p90 -149.04 143.66 26.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.87 0.367 . . . . 0.0 110.439 179.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -122.77 126.23 47.04 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.672 -174.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.1 -114.19 6.53 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.487 -0.863 . . . . 0.0 110.997 -174.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 22.8 p -120.53 13.58 11.76 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.066 0.46 . . . . 0.0 110.622 175.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 77' ' ' ARG . 36.9 ttt-85 -108.36 138.72 44.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.129 0.49 . . . . 0.0 110.856 -176.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -73.57 121.86 21.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.33 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.412 HG21 ' HA ' ' A' ' 73' ' ' TYR . 86.6 t -91.31 -58.06 3.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.523 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -177.54 170.65 43.18 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.583 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -131.3 133.0 44.94 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 47.4 t -128.65 102.6 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.419 -178.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.2 m . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.581 177.764 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 . . . . . 0 N--CA 1.446 -0.64 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.482 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 94.2 mt-30 -116.25 127.71 54.97 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.123 -177.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -143.73 140.79 30.17 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 174.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.539 ' HA ' ' HA ' ' A' ' 70' ' ' THR . 75.8 mt-30 -76.83 130.0 37.03 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.122 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.2 m -133.33 177.67 6.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.672 -175.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.512 HG22 ' HG2' ' A' ' 68' ' ' GLN . 25.4 t -117.25 132.44 67.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.553 176.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.4 t -78.6 100.59 3.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 174.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.488 ' OG ' ' HB2' ' A' ' 43' ' ' LYS . 6.9 m -72.62 -65.72 0.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -168.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.468 ' HB3' HH11 ' A' ' 15' ' ' ARG . 17.8 t-20 -146.35 153.14 40.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.959 0.409 . . . . 0.0 110.739 -171.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.532 ' HD3' ' CZ ' ' A' ' 60' ' ' TYR . 18.7 ttpp -112.05 123.45 50.3 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.8 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.468 HH11 ' HB3' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -138.68 179.7 6.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.162 0.506 . . . . 0.0 110.354 176.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -131.87 105.28 7.35 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 170.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.441 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 62.1 mmtt . . . . . 0 C--N 1.322 -0.608 0 CA-C-O 121.012 0.434 . . . . 0.0 110.708 -175.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.9 mtm-85 . . . . . 0 CA--C 1.514 -0.436 0 CA-C-O 121.115 0.483 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.51 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 16.7 m-85 -115.24 101.81 9.29 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 173.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -103.37 123.38 46.72 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.165 -176.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.47 137.01 53.47 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.259 0.552 . . . . 0.0 111.474 -169.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.42 ' HA ' ' HA ' ' A' ' 52' ' ' THR . 15.7 m -95.56 132.72 40.38 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.979 177.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -102.76 132.63 48.79 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.242 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.488 ' HB2' ' OG ' ' A' ' 12' ' ' SER . 55.0 tttp -95.32 111.63 55.82 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.957 -176.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.69 124.69 11.79 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.81 2.34 . . . . 0.0 112.066 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.3 mt -78.71 -12.02 60.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.054 0.454 . . . . 0.0 110.738 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -125.03 96.92 5.04 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 175.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.67 -140.18 15.65 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.708 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -155.39 -161.01 10.29 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.021 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 54.6 tp 64.67 98.54 0.04 OUTLIER 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.437 0.636 . . . . 0.0 111.236 -177.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -68.21 128.44 36.57 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.407 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -90.8 115.25 27.72 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.36 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 41' ' ' SER . 42.8 m -95.41 115.79 27.91 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.875 0.369 . . . . 0.0 110.274 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -113.34 137.6 51.27 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.967 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 51.8 mtt-85 -78.99 129.83 34.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.806 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' A' ' 38' ' ' TYR . 95.4 mt -122.29 141.62 51.33 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.174 0.511 . . . . 0.0 110.71 -178.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -80.95 171.8 14.54 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.3 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.438 ' O ' ' HD2' ' A' ' 61' ' ' HIS . . . -54.75 -60.96 2.65 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -174.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -60.53 -23.06 64.28 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -177.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -72.65 -48.2 41.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.736 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.532 ' CZ ' ' HD3' ' A' ' 14' ' ' LYS . 88.6 t80 -64.19 -25.7 68.19 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.094 -179.264 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.438 ' HD2' ' O ' ' A' ' 57' ' ' ALA . 7.4 m-70 -53.42 -30.33 39.79 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.582 0.229 . . . . 0.0 111.441 177.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.82 3.56 52.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 0.0 111.406 -178.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -106.62 135.64 47.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.456 ' HB ' ' HB2' ' A' ' 67' ' ' ASP . 22.1 m -123.26 121.74 36.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.138 178.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.6 t -67.62 125.32 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.931 0.396 . . . . 0.0 110.683 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.16 -19.63 53.73 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.839 -0.618 . . . . 0.0 112.07 -176.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.456 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 19.8 t70 -75.81 98.76 4.24 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 122.636 -0.332 . . . . 0.0 110.279 -176.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.512 ' HG2' HG22 ' A' ' 10' ' ' VAL . 92.2 mt-30 -54.77 127.19 27.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.343 171.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.48 176.06 38.02 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.702 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.539 ' HA ' ' HA ' ' A' ' 8' ' ' GLN . 12.6 m -89.28 144.37 26.14 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.894 0.378 . . . . 0.0 110.547 -175.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.482 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 45.3 tp -117.33 118.99 33.78 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -178.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.3 m -101.55 108.33 19.87 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.813 178.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -133.02 157.85 44.2 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.589 -178.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.407 ' HG3' HG21 ' A' ' 79' ' ' VAL . 99.3 mttt -124.54 110.07 14.01 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.07 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.36 -114.47 6.53 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.312 -174.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 25.2 p -109.05 8.06 26.01 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.973 0.416 . . . . 0.0 111.191 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -107.75 124.34 49.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.135 0.493 . . . . 0.0 111.54 -174.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -65.73 124.21 21.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.32 175.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.407 HG21 ' HG3' ' A' ' 74' ' ' LYS . 59.1 t -99.71 -62.51 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.18 177.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -160.56 154.01 24.98 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.512 -0.852 . . . . 0.0 112.699 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -102.42 111.98 24.51 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 177.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 50.8 t -103.8 103.83 15.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.173 0.511 . . . . 0.0 110.73 -175.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 p . . . . . 0 C--N 1.318 -0.773 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.884 175.786 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 . . . . . 0 N--CA 1.446 -0.635 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.487 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 40.8 mt-30 -101.57 109.08 20.82 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 174.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -134.45 137.69 44.17 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.078 -174.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.469 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 78.1 mt-30 -76.35 107.58 8.71 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 173.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 22.8 m -115.22 165.67 10.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.417 -174.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.507 HG22 ' HG2' ' A' ' 68' ' ' GLN . 23.0 t -101.7 119.13 49.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.811 175.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.485 HG22 HD11 ' A' ' 63' ' ' LEU . 38.4 t -66.29 101.23 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 171.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.6 t -87.54 -63.51 1.29 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.191 -167.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -149.59 161.56 41.93 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -173.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.612 ' HD2' ' HD1' ' A' ' 38' ' ' TYR . 7.0 ttpm? -96.4 138.58 33.78 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.066 0.46 . . . . 0.0 110.028 177.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.428 ' NE ' ' HA ' ' A' ' 15' ' ' ARG . 2.3 mmp_? -122.25 103.16 8.57 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.825 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -88.68 100.24 12.96 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.8 mttp . . . . . 0 C--N 1.324 -0.507 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.187 173.68 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 69.1 mtm-85 . . . . . 0 N--CA 1.45 -0.467 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.612 ' HD1' ' HD2' ' A' ' 14' ' ' LYS . 77.2 m-85 -77.66 106.45 9.47 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.006 -173.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.79 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 42.5 mt-10 -103.26 154.51 19.27 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.69 142.31 47.79 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.571 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.541 ' HB3' ' HB3' ' A' ' 50' ' ' GLU . 24.7 m -94.0 119.98 33.62 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.764 175.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -102.75 112.68 25.58 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.196 0.522 . . . . 0.0 109.738 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 87.3 tttt -95.19 115.28 65.27 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.258 -175.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 18.3 Cg_exo -66.66 136.07 41.03 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.882 2.388 . . . . 0.0 112.255 -178.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.3 mt -66.72 -13.48 61.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.453 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -92.87 20.19 6.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.913 0.387 . . . . 0.0 110.656 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.23 87.59 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.367 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -150.65 177.49 28.67 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.225 -177.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.429 HD11 ' N ' ' A' ' 49' ' ' LEU . 6.1 mp -71.62 141.19 49.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.854 0.359 . . . . 0.0 110.573 -178.082 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.541 ' HB3' ' HB3' ' A' ' 41' ' ' SER . 41.3 mt-10 -72.36 115.57 11.77 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.409 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -82.3 139.85 33.92 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.443 HG22 ' HB3' ' A' ' 39' ' ' GLU . 8.9 m -113.33 113.99 26.02 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.539 -175.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -116.19 140.94 48.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.897 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.79 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 78.2 mtt85 -73.76 140.92 46.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.333 -178.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.2 mt -141.72 166.07 25.75 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.227 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -102.38 167.05 10.21 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.664 174.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.16 -40.39 73.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.868 0.366 . . . . 0.0 111.199 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -61.41 -49.34 77.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.709 177.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -65.25 -37.93 88.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.018 -179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.595 ' CZ ' ' HD3' ' A' ' 14' ' ' LYS . 70.5 t80 -66.36 -32.44 73.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.713 -178.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -95.15 -6.83 40.9 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.39 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.36 -8.0 57.12 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 167.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.485 HD11 HG22 ' A' ' 11' ' ' VAL . 55.6 tp -109.9 149.36 30.0 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 114.11 -1.405 . . . . 0.0 108.998 177.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.514 ' HB ' ' HB2' ' A' ' 67' ' ' ASP . 20.2 m -123.44 126.91 47.63 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.333 178.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 51.6 t -65.83 116.58 5.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.27 -15.31 30.38 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.473 -174.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.514 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 27.6 t0 -75.51 93.04 2.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.467 0.651 . . . . 0.0 109.888 178.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.507 ' HG2' HG22 ' A' ' 10' ' ' VAL . 81.7 mt-30 -76.98 119.41 20.67 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.072 178.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.469 ' O ' ' HA ' ' A' ' 8' ' ' GLN . . . -161.42 -171.36 27.35 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.032 -177.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.469 ' HB ' ' HB ' ' A' ' 82' ' ' VAL . 25.1 m -75.58 129.8 37.79 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.095 0.474 . . . . 0.0 111.339 -175.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.487 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 53.6 tp -117.28 127.33 53.97 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 174.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.443 ' O ' ' HB ' ' A' ' 79' ' ' VAL . 22.3 m -117.59 117.9 30.68 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.204 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.407 ' HA ' HG23 ' A' ' 79' ' ' VAL . 25.9 p90 -144.07 135.28 25.56 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.186 0.517 . . . . 0.0 110.259 179.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -102.52 107.46 18.43 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.765 -174.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.75 -114.51 4.41 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.231 -0.985 . . . . 0.0 110.914 -174.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.7 m -117.08 15.79 15.03 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.47 0.653 . . . . 0.0 109.747 175.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 -105.74 125.8 51.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.625 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -68.78 123.53 21.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.588 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.443 ' HB ' ' O ' ' A' ' 72' ' ' SER . 97.8 t -96.27 -59.1 3.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.8 0.333 . . . . 0.0 110.131 177.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -177.13 159.54 25.93 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.553 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -110.7 131.8 54.74 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.469 ' HB ' ' HB ' ' A' ' 70' ' ' THR . 42.7 t -118.22 98.01 6.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.407 -177.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.9 m . . . . . 0 C--N 1.323 -0.571 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.685 177.857 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 . . . . . 0 N--CA 1.447 -0.597 0 CA-C-O 121.313 0.578 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.545 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 97.0 mt-30 -112.35 109.99 19.94 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.335 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.5 ' HD3' ' N ' ' A' ' 8' ' ' GLN . 6.4 tmtm? -126.73 133.82 50.8 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -178.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.5 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 90.8 mt-30 -79.33 123.25 27.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.126 0.488 . . . . 0.0 110.541 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.488 HG13 ' HA ' ' A' ' 44' ' ' PRO . 15.4 m -133.91 171.04 18.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.166 -176.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.515 HG21 ' HG2' ' A' ' 68' ' ' GLN . 3.1 t -103.65 137.39 32.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.583 176.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.5 t -87.98 100.3 10.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 173.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.3 m -73.85 -61.71 1.75 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.669 -174.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -165.54 174.13 10.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.432 -176.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -93.98 160.74 14.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.269 176.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -151.87 143.32 23.45 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.18 174.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -110.77 123.15 49.51 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 173.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.439 ' HB2' ' NH2' ' A' ' 37' ' ' ARG . 43.5 mttp . . . . . 0 C--N 1.324 -0.503 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 173.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.439 ' NH2' ' HB2' ' A' ' 17' ' ' LYS . 3.3 tmm_? . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -105.27 124.68 49.95 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.226 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.804 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 41.8 mt-10 -105.68 163.9 12.33 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.489 ' O ' ' HA ' ' A' ' 52' ' ' THR . . . -123.91 143.62 50.27 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.657 0.265 . . . . 0.0 111.099 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.5 m -94.65 119.54 33.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.159 177.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -102.98 117.33 34.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.381 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.433 ' HB3' ' HB ' ' A' ' 10' ' ' VAL . 87.0 tttt -95.38 118.79 66.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.684 -175.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.488 ' HA ' HG13 ' A' ' 9' ' ' VAL . 21.3 Cg_exo -66.1 129.31 21.47 Favored 'Trans proline' 0 CA--C 1.53 0.285 0 C-N-CA 122.972 2.448 . . . . 0.0 112.506 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.13 -31.67 72.87 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.339 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -95.59 18.61 12.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.439 0.638 . . . . 0.0 110.47 -177.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.68 149.67 15.05 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.037 -177.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.32 179.96 25.62 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.3 mt -83.13 134.87 34.97 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.934 0.397 . . . . 0.0 110.396 177.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -68.32 114.54 6.87 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.762 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -82.49 128.92 34.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.226 -178.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.489 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 28.3 m -103.84 104.03 13.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.737 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -100.02 144.77 28.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.804 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 0.9 OUTLIER -74.42 134.77 42.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.029 -177.378 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.8 mt -132.54 179.73 5.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.267 178.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -119.27 178.83 4.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.092 173.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.61 -51.17 69.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.488 -177.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -69.0 -26.79 65.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.246 -179.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.406 ' O ' HD22 ' A' ' 63' ' ' LEU . 23.8 tp60 -73.09 -45.27 58.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.079 178.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -66.93 -22.93 65.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.1 0.476 . . . . 0.0 110.148 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -65.78 -19.86 66.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.532 176.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -102.91 -0.65 30.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.031 0.443 . . . . 0.0 110.755 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.406 HD22 ' O ' ' A' ' 59' ' ' GLN . 2.9 mm? -88.69 107.27 18.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.568 -179.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.8 m -86.2 100.48 12.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.109 0.48 . . . . 0.0 110.515 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.96 135.96 25.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.283 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.45 -32.13 4.58 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.299 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -78.83 97.26 5.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.282 0.563 . . . . 0.0 110.673 -174.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.515 ' HG2' HG21 ' A' ' 10' ' ' VAL . 60.7 mt-30 -47.68 131.89 14.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.554 -1.203 . . . . 0.0 110.433 173.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 1.079 ' HA3' ' HA ' ' A' ' 83' ' ' SER . . . -161.42 -172.93 29.43 Favored Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 120.23 -0.986 . . . . 0.0 112.599 -177.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.3 m -91.11 134.28 34.66 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.977 0.418 . . . . 0.0 111.297 -173.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.545 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 60.3 tp -117.38 122.14 43.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.871 179.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.0 m -107.79 112.59 25.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.455 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -142.16 164.66 29.57 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.644 177.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -134.82 98.57 4.07 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.49 -114.28 4.08 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.282 -175.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.3 p -104.6 0.16 28.29 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.909 0.385 . . . . 0.0 111.096 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 77' ' ' ARG . 32.2 ttt180 -92.71 118.54 31.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.244 -177.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -72.44 123.69 23.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.597 173.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.6 t -101.67 -50.62 9.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.643 0.259 . . . . 0.0 110.536 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -178.17 147.79 8.18 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.397 178.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -121.09 127.4 51.61 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 177.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 66.9 t -135.13 102.02 3.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.605 -0.516 . . . . 0.0 109.605 178.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 1.079 ' HA ' ' HA3' ' A' ' 69' ' ' GLY . 20.3 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 121.289 0.566 . . . . 0.0 109.906 177.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 . . . . . 0 N--CA 1.448 -0.541 0 CA-C-O 121.118 0.485 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -100.62 123.92 45.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 -178.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.745 ' HB2' ' HZ3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -130.17 134.42 47.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.789 178.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 33.3 tt0 -80.61 113.45 18.81 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.534 HG13 ' HA ' ' A' ' 44' ' ' PRO . 33.8 m -122.18 165.49 17.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.384 -174.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.518 HG21 ' HG2' ' A' ' 68' ' ' GLN . 39.2 t -107.68 119.7 57.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.942 175.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.423 HG11 HG22 ' A' ' 65' ' ' VAL . 31.6 t -76.23 96.42 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 172.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.3 m -66.13 -53.01 43.03 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.35 -175.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -166.85 176.98 6.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.185 0.517 . . . . 0.0 111.437 -175.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.78 ' HB3' ' HZ2' ' A' ' 14' ' ' LYS . 5.2 ttpm? -100.89 111.28 23.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.666 175.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.564 ' HB2' HG23 ' A' ' 52' ' ' THR . 66.3 mtt180 -104.14 142.27 34.79 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.012 0.434 . . . . 0.0 110.342 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -120.64 110.56 16.56 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.896 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.414 ' HG3' ' OE1' ' A' ' 39' ' ' GLU . 34.0 mttp . . . . . 0 C--N 1.325 -0.491 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.245 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.83 ' HD3' ' HD2' ' A' ' 54' ' ' ARG . 94.8 mtt180 . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 120.795 0.331 . . . . 0.0 110.512 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.425 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 48.9 m-85 -91.97 128.18 37.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.334 -177.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.828 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 46.7 mt-10 -111.78 159.38 18.34 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.603 ' O ' ' HA ' ' A' ' 52' ' ' THR . . . -120.34 138.89 53.47 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.643 0.258 . . . . 0.0 110.991 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.2 m -94.3 113.65 25.59 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.733 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -102.84 108.65 19.95 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.863 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.602 ' HB2' ' HG2' ' A' ' 50' ' ' GLU . 88.7 tttt -95.29 109.81 47.05 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.672 178.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.534 ' HA ' HG13 ' A' ' 9' ' ' VAL . 59.1 Cg_endo -73.53 139.73 28.85 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.414 2.076 . . . . 0.0 112.113 -178.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.3 mt -71.37 -30.31 65.99 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.37 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -142.72 82.97 1.79 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.786 173.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -162.59 -44.09 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.233 -0.984 . . . . 0.0 113.012 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.38 -140.58 8.22 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.329 -177.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.7 tp -78.33 164.14 25.1 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.091 0.472 . . . . 0.0 111.542 -174.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.602 ' HG2' ' HB2' ' A' ' 43' ' ' LYS . 34.0 mt-10 -63.46 120.39 11.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.315 177.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -100.39 111.36 23.62 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.902 0.382 . . . . 0.0 110.411 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.603 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 27.2 m -92.88 106.36 18.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.751 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -104.64 152.51 22.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.787 -178.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.83 ' HD2' ' HD3' ' A' ' 37' ' ' ARG . 69.2 ttp85 -75.86 134.25 40.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.742 -175.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 76.6 mt -125.36 169.04 12.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.67 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -86.34 170.0 12.43 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 171.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.86 -36.56 72.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.45 0.643 . . . . 0.0 109.324 175.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -71.96 -35.71 69.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.435 177.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -69.07 -33.03 72.91 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.388 176.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.501 ' CZ ' ' HD3' ' A' ' 14' ' ' LYS . 43.5 t80 -63.54 -35.46 80.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.165 175.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -65.63 -23.66 66.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.35 175.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -99.65 12.27 37.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.11 0.481 . . . . 0.0 110.952 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.0 tp -102.98 146.58 28.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.105 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.485 ' HB ' ' HB3' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -123.21 98.28 5.8 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.925 0.393 . . . . 0.0 111.172 179.787 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.423 HG22 HG11 ' A' ' 11' ' ' VAL . 27.3 t -68.9 128.9 33.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.948 0.404 . . . . 0.0 110.845 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.94 -20.87 42.86 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.115 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.485 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 27.5 t70 -81.79 90.96 6.42 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -178.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.518 ' HG2' HG21 ' A' ' 10' ' ' VAL . 72.2 mt-30 -55.78 124.11 16.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.859 177.076 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 8' ' ' GLN . . . -161.28 -170.86 26.52 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.291 -0.957 . . . . 0.0 112.395 -174.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.5 m -91.13 134.91 34.15 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.248 0.547 . . . . 0.0 111.559 -171.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.4 tp -117.36 117.86 30.65 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.846 178.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.7 p -94.72 112.0 23.76 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.959 176.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.415 ' HE2' ' HB3' ' A' ' 7' ' ' LYS . 39.2 p90 -135.96 151.97 50.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.198 0.523 . . . . 0.0 111.111 -177.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -118.78 93.97 4.29 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 174.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.24 -114.76 3.91 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -172.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 29.7 p -111.37 7.99 21.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.275 0.559 . . . . 0.0 110.335 174.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 77' ' ' ARG . 32.6 ttm180 -88.49 117.97 27.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.935 -179.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -69.43 112.63 6.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.087 -0.961 . . . . 0.0 110.117 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.7 t -91.94 -39.32 11.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.327 0.584 . . . . 0.0 109.673 177.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 174.75 149.64 7.3 Favored Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.88 177.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -108.73 118.21 36.19 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 176.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 41.8 t -101.89 96.21 4.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.792 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.47 ' HB3' ' OD2' ' A' ' 67' ' ' ASP . 11.3 m . . . . . 0 C--N 1.322 -0.614 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.156 176.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 . . . . . 0 N--CA 1.445 -0.698 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -97.95 110.37 22.95 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.161 177.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -129.39 135.07 48.24 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.433 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 72.4 mt-30 -76.01 130.34 38.25 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.172 0.511 . . . . 0.0 110.247 176.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.4 m -126.66 165.45 24.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.645 -178.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.485 HG23 ' HG2' ' A' ' 68' ' ' GLN . 41.0 t -101.54 122.17 53.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.18 177.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.0 t -72.03 96.46 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 172.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.645 ' HB3' ' HB2' ' A' ' 41' ' ' SER . 29.6 t -71.99 -56.25 5.99 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.636 -172.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -171.75 -176.36 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 -177.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -100.21 141.33 33.2 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 174.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -125.01 169.35 12.2 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -146.93 104.85 3.74 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.283 -176.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.5 mttp . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.094 173.386 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.2 mtt85 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -65.47 148.31 51.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.657 -175.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.739 ' HG2' ' HG2' ' A' ' 54' ' ' ARG . 45.5 mt-10 -103.57 155.42 18.55 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.084 -178.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.62 139.85 51.54 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.836 174.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.645 ' HB2' ' HB3' ' A' ' 12' ' ' SER . 4.1 m -94.19 115.78 28.1 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.488 -179.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -102.7 106.36 16.98 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.485 ' HG3' ' HG2' ' A' ' 50' ' ' GLU . 46.7 tttp -95.47 115.57 65.58 Favored Pre-proline 0 C--N 1.318 -0.763 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.402 -174.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -63.64 132.29 34.74 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.521 2.147 . . . . 0.0 111.578 178.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 44.3 mt -60.9 -60.22 4.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.503 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -120.84 81.17 1.73 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 174.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.76 -119.43 0.78 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.736 -176.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -150.67 -136.31 2.51 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.379 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.1 tp -49.19 136.15 15.64 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 122.999 0.519 . . . . 0.0 111.75 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.485 ' HG2' ' HG3' ' A' ' 43' ' ' LYS . 27.2 mt-10 -72.21 130.05 39.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.361 -178.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -86.91 117.89 25.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.885 0.374 . . . . 0.0 110.094 -179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.465 HG21 ' HB3' ' A' ' 39' ' ' GLU . 18.2 m -105.55 108.93 20.71 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.475 179.011 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -108.81 144.21 36.98 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.159 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.739 ' HG2' ' HG2' ' A' ' 39' ' ' GLU . 27.0 mtm180 -78.03 140.5 39.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.144 179.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.4 mt -123.31 177.82 5.42 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.08 -176.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.514 ' HB2' ' HG2' ' A' ' 59' ' ' GLN . 80.3 mt-30 -107.52 174.37 5.91 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.193 175.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.34 -48.13 83.09 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.96 0.409 . . . . 0.0 110.662 177.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -65.55 -30.86 71.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.032 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.514 ' HG2' ' HB2' ' A' ' 56' ' ' GLN . 80.0 mm-40 -70.24 -44.55 68.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.425 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -71.58 -19.56 62.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.22 0.533 . . . . 0.0 110.32 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -70.05 -21.96 63.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.194 175.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -101.0 -40.22 7.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.543 177.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.24 97.5 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.212 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 44.3 m -88.71 122.99 32.71 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.426 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.35 128.98 22.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.122 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.97 -18.26 57.05 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.141 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -77.88 94.73 4.6 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.323 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.485 ' HG2' HG23 ' A' ' 10' ' ' VAL . 67.5 mt-30 -65.14 128.52 36.14 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.323 174.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.433 ' O ' ' HA ' ' A' ' 8' ' ' GLN . . . -161.29 176.46 37.84 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.163 -1.018 . . . . 0.0 112.684 -175.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.7 m -77.22 133.54 38.86 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.116 0.484 . . . . 0.0 111.681 -172.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.1 tp -117.36 119.26 34.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.004 177.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.437 ' O ' ' HB ' ' A' ' 79' ' ' VAL . 27.3 m -98.67 109.42 22.18 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.562 178.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -140.55 155.16 46.69 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.916 0.389 . . . . 0.0 110.691 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -125.38 95.53 4.5 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.643 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.99 -114.22 5.96 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.38 -0.914 . . . . 0.0 111.297 -174.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.7 p -96.08 -6.21 39.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.084 0.469 . . . . 0.0 110.829 176.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -79.94 107.73 12.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.026 -178.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -73.13 114.35 11.2 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 173.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.437 ' HB ' ' O ' ' A' ' 72' ' ' SER . 59.9 t -94.2 -48.79 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.655 -178.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 173.26 148.24 6.27 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.184 -1.008 . . . . 0.0 113.171 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -101.17 129.18 47.04 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 175.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 38.3 t -126.61 114.34 37.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.924 0.392 . . . . 0.0 110.916 -175.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.9 t . . . . . 0 C--N 1.321 -0.64 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 174.917 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 . . . . . 0 N--CA 1.443 -0.812 0 CA-C-O 121.161 0.505 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.682 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 89.7 mt-30 -105.78 120.27 41.27 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.372 174.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -139.92 158.42 44.1 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.115 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.478 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 87.9 mt-30 -88.12 112.55 22.81 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 173.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 m -121.29 176.01 4.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.461 -175.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.3 t -114.04 129.95 69.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.094 178.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.6 t -84.17 98.08 5.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 173.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 m -72.26 -57.64 4.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.041 -173.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -162.34 163.23 28.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.046 -173.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.0 pttt -95.99 158.02 15.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.811 0.339 . . . . 0.0 110.628 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.6 mtt-85 -142.32 170.09 16.36 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 175.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.405 ' HG3' ' HB2' ' A' ' 37' ' ' ARG . 37.9 tt0 -146.87 99.17 3.15 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 169.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt . . . . . 0 C--N 1.32 -0.691 0 CA-C-O 120.979 0.419 . . . . 0.0 110.313 174.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.405 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 75.6 mtt180 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -136.95 119.39 15.82 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.904 0.383 . . . . 0.0 110.25 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.825 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 35.2 mt-10 -103.48 150.47 23.85 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.01 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.57 137.2 53.4 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.769 0.319 . . . . 0.0 110.395 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.3 m -94.36 114.79 26.89 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.839 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -103.36 112.64 25.63 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.341 0.591 . . . . 0.0 109.807 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -98.65 128.52 32.5 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.383 -175.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -72.46 145.09 41.9 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.088 2.526 . . . . 0.0 111.982 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.9 mt -94.32 -10.46 32.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.95 -178.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -112.37 28.9 8.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.033 0.444 . . . . 0.0 110.706 -175.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.58 133.19 4.92 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.779 -177.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.3 167.88 14.37 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.095 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.5 mt -86.06 150.48 24.42 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 177.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -69.43 125.34 26.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.405 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -93.53 114.21 26.51 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 177.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 25.0 m -99.89 109.55 21.93 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.979 0.419 . . . . 0.0 110.244 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -104.28 135.41 45.8 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.493 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.825 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 0.8 OUTLIER -74.75 131.63 40.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.717 178.888 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.2 mt -121.09 157.92 29.03 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.096 -176.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -83.82 155.74 22.83 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.372 -0.831 . . . . 0.0 108.873 174.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.1 -35.74 67.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.019 0.438 . . . . 0.0 111.443 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -70.62 -19.45 62.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.143 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -89.28 -46.37 8.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.924 178.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -66.25 -18.57 65.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.719 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -61.88 -22.67 65.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.037 177.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -107.65 -2.41 20.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.213 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -78.36 133.68 37.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.1 0.476 . . . . 0.0 110.951 -176.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.412 ' HB ' ' HB2' ' A' ' 67' ' ' ASP . 15.1 m -123.09 116.59 23.72 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.749 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.64 127.52 26.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.972 0.415 . . . . 0.0 110.366 176.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.91 -15.64 62.66 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.262 -177.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.412 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 22.5 t70 -75.65 96.78 3.64 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.148 0.499 . . . . 0.0 110.386 -178.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -64.59 122.18 16.21 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.255 172.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.478 ' O ' ' HA ' ' A' ' 8' ' ' GLN . . . -161.29 -170.8 26.45 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.334 -173.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.9 m -92.42 131.83 37.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.131 0.491 . . . . 0.0 111.592 -171.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.682 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 64.4 tp -117.37 125.67 51.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.164 178.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.5 m -108.67 104.85 14.23 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 176.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -134.24 144.29 48.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.027 0.442 . . . . 0.0 110.145 176.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -110.64 102.07 10.67 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.647 -175.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.45 -114.26 5.06 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.426 -0.892 . . . . 0.0 111.313 -176.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.5 p -109.56 11.13 24.95 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.253 0.549 . . . . 0.0 110.577 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -108.31 111.62 23.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.204 -176.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -62.97 130.79 46.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.394 178.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 88.3 t -106.64 -57.44 4.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -168.88 142.67 7.53 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.395 -0.907 . . . . 0.0 112.802 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -112.74 136.81 51.91 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 176.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 48.7 t -122.3 104.49 14.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.635 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.0 m . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 169.933 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 . . . . . 0 N--CA 1.449 -0.503 0 CA-C-O 120.906 0.384 . . . . 0.0 110.054 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 97.1 mt-30 -106.85 113.36 26.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.643 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -116.53 137.37 52.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.16 176.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.455 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 85.1 mt-30 -89.38 103.15 15.8 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 171.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.8 m -108.56 167.51 3.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.964 -171.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.736 ' HB ' ' HB3' ' A' ' 43' ' ' LYS . 46.4 t -101.66 120.34 51.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.24 178.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 38.9 t -73.33 93.96 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 169.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.3 p -71.09 -45.92 62.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.936 -170.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -178.09 160.3 1.39 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.77 0.319 . . . . 0.0 110.275 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.411 ' HD3' ' OH ' ' A' ' 60' ' ' TYR . 24.0 pttm -70.91 146.82 49.32 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 170.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.492 ' O ' ' HB2' ' A' ' 39' ' ' GLU . 26.8 ttm180 -158.11 155.1 28.58 Favored 'General case' 0 C--N 1.312 -1.06 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.105 -178.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -142.84 112.37 6.8 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 173.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp . . . . . 0 C--N 1.323 -0.585 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 172.054 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? . . . . . 0 CA--C 1.519 -0.215 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -106.94 104.15 13.76 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.91 0.386 . . . . 0.0 110.289 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.882 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 32.1 mt-10 -103.66 153.63 20.42 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.52 135.31 54.47 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.037 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.1 t -97.38 122.43 40.41 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.445 -177.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -103.0 124.45 48.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.22 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.736 ' HB3' ' HB ' ' A' ' 10' ' ' VAL . 28.0 tptp -95.02 115.6 65.55 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.039 -176.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -75.33 139.43 23.45 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.623 2.215 . . . . 0.0 111.46 174.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.1 mt -92.41 -12.83 31.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.083 0.468 . . . . 0.0 110.978 -177.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -93.87 25.11 3.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.275 -171.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.75 117.93 0.47 Allowed Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.172 -178.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.33 171.17 17.69 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.493 -0.86 . . . . 0.0 112.376 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.9 mt -85.0 160.12 20.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.729 0.299 . . . . 0.0 110.435 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -65.78 142.86 57.82 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.483 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -100.64 106.76 18.27 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.596 173.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.7 m -93.09 120.72 33.69 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.298 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -113.21 138.15 50.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.809 0.338 . . . . 0.0 111.054 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.882 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 51.4 ttp180 -74.04 127.06 31.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.695 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.4 mt -123.64 161.14 25.65 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.019 0.438 . . . . 0.0 111.056 -178.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -93.96 175.76 6.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.764 173.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.71 -52.8 64.15 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -173.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -66.7 -31.92 72.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.112 -177.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -67.24 -43.89 80.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.95 0.405 . . . . 0.0 109.995 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.411 ' OH ' ' HD3' ' A' ' 14' ' ' LYS . 79.8 t80 -62.91 -28.99 70.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.225 179.044 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 56.3 m170 -60.34 -29.59 68.99 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.727 0.299 . . . . 0.0 111.151 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.3 -29.0 23.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.959 0.409 . . . . 0.0 110.974 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -72.5 105.37 4.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.356 0.598 . . . . 0.0 111.085 -178.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.9 m -98.97 118.81 36.6 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.443 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.89 131.68 28.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.008 0.432 . . . . 0.0 111.179 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.76 -19.32 49.05 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.188 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -80.43 91.55 5.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.232 0.539 . . . . 0.0 109.943 -177.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -64.71 138.13 58.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.035 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.782 ' HA3' ' HA ' ' A' ' 83' ' ' SER . . . -161.43 -177.93 34.94 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.467 -178.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.9 m -90.57 140.14 30.03 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.01 0.433 . . . . 0.0 110.82 -174.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 66.0 tp -117.34 128.25 54.86 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.182 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.5 t -99.69 100.65 11.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.561 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -132.33 143.11 49.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.165 0.507 . . . . 0.0 110.649 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -136.72 110.62 8.2 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 176.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.24 -114.89 3.91 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.261 -0.971 . . . . 0.0 110.692 -172.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.5 t -126.02 -5.5 6.77 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.914 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 77' ' ' ARG . 22.0 ttt180 -86.21 131.29 34.27 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.203 0.525 . . . . 0.0 111.149 -178.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -68.84 112.82 5.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.873 175.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.0 t -87.13 -52.65 11.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.171 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -171.98 170.61 43.56 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.853 178.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.468 ' CE2' ' HB2' ' A' ' 83' ' ' SER . 79.4 t80 -137.07 120.61 17.14 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 45.7 t -124.39 93.59 2.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.619 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.782 ' HA ' ' HA3' ' A' ' 69' ' ' GLY . 8.7 t . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.048 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.506 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 94.9 mt-30 -128.25 126.64 41.3 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.279 -177.057 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -137.29 146.83 45.16 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.31 171.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -80.19 121.76 25.99 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 174.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.497 HG22 ' HB3' ' A' ' 42' ' ' PHE . 16.8 m -125.1 164.83 23.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.798 -177.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.535 HG21 ' HG2' ' A' ' 68' ' ' GLN . 26.3 t -101.86 123.76 55.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.496 177.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.2 t -76.07 85.15 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 170.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.2 m -77.09 -52.25 9.62 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -169.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -148.36 157.09 43.26 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.405 -171.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.541 ' HD3' ' OH ' ' A' ' 60' ' ' TYR . 54.6 pttt -93.29 148.71 21.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.53 176.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.444 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 5.9 mmm180 -134.21 167.63 20.34 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.713 0.292 . . . . 0.0 110.885 -175.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -146.72 105.12 3.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.164 177.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt . . . . . 0 C--N 1.321 -0.632 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 169.964 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.1 mtt85 . . . . . 0 N--CA 1.448 -0.568 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -72.98 176.27 5.89 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.529 -177.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.444 ' HB2' ' HB2' ' A' ' 15' ' ' ARG . 53.9 mt-10 -132.34 148.12 52.42 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 174.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.19 128.7 48.76 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.2 m -94.39 121.21 35.69 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.211 0.529 . . . . 0.0 110.347 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.497 ' HB3' HG22 ' A' ' 9' ' ' VAL . 88.9 m-85 -102.6 116.79 33.3 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.398 -0.819 . . . . 0.0 108.973 177.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.483 ' HA ' ' HG3' ' A' ' 50' ' ' GLU . 86.9 tttt -94.86 119.92 65.32 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.117 -171.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 26.7 Cg_exo -62.66 136.33 57.61 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 123.061 2.507 . . . . 0.0 111.485 176.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.7 mt -72.6 -25.42 61.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.675 -176.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -93.57 16.28 14.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.397 0.617 . . . . 0.0 110.522 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.39 158.56 7.14 Favored Glycine 0 C--N 1.317 -0.483 0 CA-C-N 115.266 -0.879 . . . . 0.0 112.632 -177.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.35 -147.29 17.51 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.478 177.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.7 tp -98.34 121.62 40.5 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 174.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.483 ' HG3' ' HA ' ' A' ' 43' ' ' LYS . 2.2 mp0 -59.43 128.5 37.35 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.446 179.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.455 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 57.1 mttp -82.32 102.92 11.53 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.902 -178.16 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.438 HG23 ' HB3' ' A' ' 39' ' ' GLU . 19.0 m -98.97 107.46 19.89 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.416 -178.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.455 ' CE2' ' HB3' ' A' ' 51' ' ' LYS . 92.5 m-85 -105.86 134.24 49.3 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.537 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.425 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 35.7 ttp180 -77.45 126.4 30.85 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.927 177.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.1 mt -123.87 162.99 22.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.17 -172.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -84.91 160.2 20.17 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 175.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.07 -47.29 65.24 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -177.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -63.85 -33.54 75.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.93 0.395 . . . . 0.0 111.441 -178.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -76.22 -37.88 57.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.429 -178.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.541 ' OH ' ' HD3' ' A' ' 14' ' ' LYS . 48.4 t80 -67.51 -22.87 65.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.355 176.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -85.73 -19.63 30.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.647 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.6 -52.46 8.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.89 -177.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.5 pp -90.26 142.37 27.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.984 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.3 m -111.71 143.21 42.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.956 0.407 . . . . 0.0 111.699 -171.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.5 t -62.34 132.74 28.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.575 175.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.15 -9.14 76.98 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.945 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -79.69 93.45 5.54 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.209 0.528 . . . . 0.0 110.526 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.535 ' HG2' HG21 ' A' ' 10' ' ' VAL . 81.1 mt-30 -67.24 117.58 9.45 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.434 173.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.31 179.58 36.64 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.275 -0.964 . . . . 0.0 112.937 -175.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.2 m -79.91 136.13 36.59 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.08 0.467 . . . . 0.0 111.505 -172.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.506 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 60.4 tp -117.33 122.6 44.35 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.5 m -103.4 119.57 39.14 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.22 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.477 ' HA ' HG21 ' A' ' 79' ' ' VAL . 39.8 p90 -149.13 162.43 40.0 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.75 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -128.97 101.11 5.92 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.364 176.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.27 -114.03 5.76 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.536 -0.84 . . . . 0.0 111.461 -176.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.2 p -96.16 -7.58 35.44 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.898 0.38 . . . . 0.0 111.356 178.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 38.3 ttt85 -86.67 115.73 24.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.109 0.48 . . . . 0.0 111.883 -173.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -70.24 109.1 4.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.221 -0.899 . . . . 0.0 109.564 173.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.477 HG21 ' HA ' ' A' ' 73' ' ' TYR . 57.6 t -86.96 -45.64 16.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.815 0.341 . . . . 0.0 110.29 -178.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 168.49 148.18 5.64 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.64 177.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -95.54 132.43 40.67 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 48.2 t -116.45 106.28 19.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.4 t . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.98 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 . . . . . 0 N--CA 1.449 -0.475 0 CA-C-O 120.774 0.321 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.471 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 93.4 mt-30 -116.53 109.26 17.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.189 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.7 tttm -134.52 165.04 26.12 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -87.7 116.74 26.04 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.0 m -124.69 164.74 22.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.984 0.421 . . . . 0.0 110.752 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.514 HG21 ' HG2' ' A' ' 68' ' ' GLN . 21.7 t -106.74 122.57 60.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.426 177.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.2 t -74.73 97.51 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 170.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.3 p -78.31 -55.43 5.25 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.459 0.541 . . . . 0.0 112.459 -168.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -157.81 169.07 25.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.128 0.489 . . . . 0.0 111.552 -176.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 39' ' ' GLU . 27.0 ttpp -87.3 147.06 25.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.414 174.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.762 ' HD3' HG23 ' A' ' 52' ' ' THR . 64.6 ttt180 -127.24 161.99 27.26 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -146.8 102.71 3.57 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.866 -175.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.499 ' HG3' ' OE1' ' A' ' 39' ' ' GLU . 60.4 mttp . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.373 176.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 . . . . . 0 N--CA 1.45 -0.444 0 CA-C-O 121.155 0.502 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -110.78 130.05 55.68 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 175.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.574 ' HG2' ' HG2' ' A' ' 54' ' ' ARG . 42.7 mt-10 -103.33 147.47 27.04 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.091 -177.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.56 132.06 56.21 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.3 t -94.75 121.7 36.6 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -102.65 111.71 24.15 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.933 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.446 ' HA ' ' HG2' ' A' ' 50' ' ' GLU . 40.3 tttp -95.18 115.34 65.33 Favored Pre-proline 0 C--N 1.317 -0.835 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.07 -176.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -70.64 141.34 41.41 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.471 2.114 . . . . 0.0 111.745 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.6 mt -72.22 -14.56 61.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.34 0.591 . . . . 0.0 109.805 175.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -93.65 106.88 18.82 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 169.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -38.17 123.4 1.29 Allowed Glycine 0 CA--C 1.518 0.277 0 O-C-N 124.359 1.037 . . . . 0.0 114.275 -175.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.51 -157.79 21.12 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 39.3 mt -88.24 134.34 33.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.159 0.504 . . . . 0.0 111.251 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.446 ' HG2' ' HA ' ' A' ' 43' ' ' LYS . 49.7 mt-10 -69.24 130.42 42.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.735 174.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -97.1 111.74 23.83 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.167 0.508 . . . . 0.0 110.497 -175.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.762 HG23 ' HD3' ' A' ' 15' ' ' ARG . 19.4 m -90.43 120.9 31.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.061 -177.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -113.63 145.37 41.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.252 176.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.574 ' HG2' ' HG2' ' A' ' 39' ' ' GLU . 46.6 mtm105 -87.22 125.09 33.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.129 0.49 . . . . 0.0 111.338 -178.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.6 mt -119.25 161.92 19.58 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.535 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -101.58 179.11 4.44 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 173.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.07 -58.89 5.21 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -176.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -62.64 -29.65 70.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.507 -177.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -77.33 -44.76 28.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.895 -177.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -66.42 -29.32 69.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.173 0.511 . . . . 0.0 110.001 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -66.87 -18.98 65.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.624 176.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -101.39 4.57 41.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.015 0.436 . . . . 0.0 110.773 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -108.8 104.11 13.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.11 0.481 . . . . 0.0 110.487 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 23.5 m -81.03 106.63 13.19 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.94 -178.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 46.4 t -64.21 126.74 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.538 176.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.72 -17.33 57.62 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.811 -176.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -77.92 95.27 4.73 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.325 0.583 . . . . 0.0 110.124 -178.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.514 ' HG2' HG21 ' A' ' 10' ' ' VAL . 53.2 mt-30 -66.51 114.32 5.39 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.198 173.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.22 -170.83 26.4 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 119.957 -1.116 . . . . 0.0 113.038 -171.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.7 m -82.35 129.44 34.87 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.033 0.444 . . . . 0.0 111.464 -170.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.471 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 68.5 tp -117.41 126.25 52.34 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.887 177.224 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.3 m -108.74 122.21 46.67 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.71 177.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.9 p90 -148.0 142.11 26.04 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.999 0.428 . . . . 0.0 110.63 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.42 ' HE3' ' HB2' ' A' ' 74' ' ' LYS . 36.6 ttmt -116.23 105.29 12.4 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 -179.16 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.25 -114.33 4.67 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.37 -0.919 . . . . 0.0 110.967 -174.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.5 p -114.28 13.22 17.83 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.071 0.462 . . . . 0.0 110.544 176.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -102.6 126.45 49.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.181 0.515 . . . . 0.0 111.261 -178.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -70.0 117.58 11.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.4 177.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 99.6 t -91.99 -50.6 12.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.238 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 176.01 150.09 7.88 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.169 178.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.471 ' HE2' ' HG ' ' A' ' 83' ' ' SER . 83.0 t80 -117.5 124.21 48.19 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 178.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 44.3 t -100.23 97.19 5.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.095 -178.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.471 ' HG ' ' HE2' ' A' ' 81' ' ' PHE . 49.8 m . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.321 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 . . . . . 0 N--CA 1.446 -0.658 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.594 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 90.6 mt-30 -102.71 112.2 24.87 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.336 0.589 . . . . 0.0 110.737 -178.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.655 ' HB3' ' HE2' ' A' ' 73' ' ' TYR . 15.8 tppt? -115.01 127.84 55.91 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.335 179.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -76.63 124.88 28.3 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.47 0.653 . . . . 0.0 109.923 176.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.565 HG13 ' HA ' ' A' ' 44' ' ' PRO . 16.1 m -132.13 165.16 32.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.158 -173.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.499 HG23 ' HG2' ' A' ' 68' ' ' GLN . 16.9 t -101.72 126.05 55.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.789 175.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.3 t -73.62 92.25 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.147 -1.056 . . . . 0.0 108.147 169.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.7 p -68.89 -46.88 67.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.938 -169.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -168.21 149.3 5.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.398 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.428 ' HD3' ' CZ ' ' A' ' 60' ' ' TYR . 60.7 pttt -90.83 120.73 32.1 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 173.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.4 mtt-85 -110.28 144.17 39.39 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.68 -173.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -96.03 94.43 7.57 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 172.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt . . . . . 0 C--N 1.323 -0.55 0 CA-C-O 121.004 0.43 . . . . 0.0 111.736 -178.131 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 . . . . . 0 CA--C 1.517 -0.296 0 CA-C-O 120.989 0.423 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.44 ' HB2' ' O ' ' A' ' 55' ' ' LEU . 25.0 m-85 -82.64 118.74 23.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.414 -177.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.456 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 21.4 mt-10 -122.3 144.81 48.77 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.209 172.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.48 132.96 56.22 Favored 'General case' 0 C--N 1.316 -0.887 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.391 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.607 ' HB3' ' HB3' ' A' ' 50' ' ' GLU . 48.8 m -94.57 124.22 38.47 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.126 178.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.521 ' HB3' HG22 ' A' ' 9' ' ' VAL . 92.0 m-85 -102.85 112.39 25.18 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.83 178.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -99.51 117.55 63.61 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.372 -175.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.565 ' HA ' HG13 ' A' ' 9' ' ' VAL . 26.5 Cg_exo -62.35 136.22 58.29 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.847 2.364 . . . . 0.0 112.555 -177.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.31 -33.86 76.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.872 -178.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -93.68 18.87 9.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.099 0.476 . . . . 0.0 111.2 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.68 148.29 21.81 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.639 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.415 ' HA3' ' HG2' ' A' ' 44' ' ' PRO . . . 150.08 167.12 14.0 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.982 -0.627 . . . . 0.0 112.079 179.208 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.5 tp -67.12 140.33 57.55 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.599 0.238 . . . . 0.0 110.614 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.607 ' HB3' ' HB3' ' A' ' 41' ' ' SER . 45.0 mt-10 -68.51 113.56 6.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.123 0.487 . . . . 0.0 110.229 176.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 44.8 mttp -83.81 110.75 18.6 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.42 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.456 ' CG2' ' HB3' ' A' ' 39' ' ' GLU . 36.7 m -97.82 119.31 36.19 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.245 -178.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -123.85 159.83 28.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.993 -178.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -77.09 126.99 31.87 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.346 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.44 ' O ' ' HB2' ' A' ' 38' ' ' TYR . 40.5 mt -134.82 132.64 38.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.03 0.443 . . . . 0.0 110.971 178.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -86.13 166.44 15.78 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.084 175.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.09 -39.5 82.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.915 0.388 . . . . 0.0 111.109 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -63.34 -35.55 80.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.743 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -77.15 -47.94 19.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.694 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.459 ' HA ' HD21 ' A' ' 63' ' ' LEU . 79.5 t80 -61.75 -23.98 66.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.201 -178.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -55.8 -21.46 19.53 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.41 177.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.55 -6.67 49.15 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -174.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.459 HD21 ' HA ' ' A' ' 60' ' ' TYR . 1.2 pt? -137.71 156.37 48.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.173 0.511 . . . . 0.0 111.515 -178.129 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.7 m -123.25 146.41 47.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.591 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.3 t -63.81 123.59 16.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.881 0.372 . . . . 0.0 110.215 174.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.4 -18.26 56.63 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.824 -176.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -77.1 94.42 4.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.169 0.509 . . . . 0.0 110.218 -177.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.499 ' HG2' HG23 ' A' ' 10' ' ' VAL . 77.1 mt-30 -64.64 131.8 47.96 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.296 176.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.33 -175.26 32.16 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.009 -177.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.541 ' HB ' ' HB ' ' A' ' 82' ' ' VAL . 18.2 m -90.27 141.84 28.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.637 0.256 . . . . 0.0 110.71 -173.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.594 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 58.8 tp -117.37 120.68 38.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.984 0.421 . . . . 0.0 110.92 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.5 t -92.11 109.29 20.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.534 177.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.655 ' HE2' ' HB3' ' A' ' 7' ' ' LYS . 41.8 p90 -143.55 166.24 25.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.17 0.51 . . . . 0.0 111.165 -179.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -131.89 88.85 2.61 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 172.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.56 -114.26 3.83 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 -172.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.3 p -105.42 3.08 29.24 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.178 0.513 . . . . 0.0 110.434 174.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.0 mtm180 -77.8 109.72 12.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.782 177.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -76.43 104.63 7.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.394 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.5 t -83.21 -44.22 18.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.106 178.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 169.08 152.96 8.07 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.4 176.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -94.16 133.85 37.23 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 176.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.541 ' HB ' ' HB ' ' A' ' 70' ' ' THR . 25.4 t -105.75 93.54 2.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.109 0.481 . . . . 0.0 110.531 -176.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.3 m . . . . . 0 C--N 1.321 -0.656 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.496 175.076 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.543 ' HG2' ' HA ' ' A' ' 72' ' ' SER . 93.2 mt-30 -136.86 144.49 43.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.756 -175.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.501 ' HZ2' HD12 ' A' ' 45' ' ' LEU . 51.7 tttm -168.76 164.99 12.02 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 168.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.494 ' N ' ' HG2' ' A' ' 7' ' ' LYS . 59.0 tt0 -76.0 119.45 19.97 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 175.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.1 m -120.83 178.6 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.085 -177.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.7 t -113.03 120.09 62.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.021 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.5 t -76.08 96.59 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 168.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.5 p -85.61 -39.81 16.92 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -164.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -162.95 172.21 15.4 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.915 -174.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.2 pttt -124.81 141.39 52.15 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -143.21 -177.69 5.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.78 0.324 . . . . 0.0 111.315 -177.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -143.96 120.18 10.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.977 178.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 86.7 mttt . . . . . 0 C--N 1.323 -0.575 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 175.534 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.687 ' HD2' ' O ' ' A' ' 37' ' ' ARG . 1.2 ppt_? . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 121.341 0.591 . . . . 0.0 110.223 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -95.83 168.36 10.69 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.616 -177.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.637 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 27.7 mt-10 -133.6 149.94 51.61 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.912 0.387 . . . . 0.0 110.191 173.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.65 140.0 50.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.338 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.6 t -94.57 119.25 32.95 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.501 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.406 ' CD1' ' HD2' ' A' ' 53' ' ' PHE . 94.8 m-85 -102.98 114.35 28.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.733 177.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 50.6 tttm -95.29 115.28 65.3 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.894 -177.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 6.4 Cg_exo -73.65 143.11 33.44 Favored 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 122.589 2.193 . . . . 0.0 111.492 178.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.501 HD12 ' HZ2' ' A' ' 7' ' ' LYS . 91.5 mt -74.04 -14.94 61.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.444 0.64 . . . . 0.0 109.496 174.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -82.96 105.85 14.3 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 169.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -42.92 106.84 0.09 OUTLIER Glycine 0 C--N 1.333 0.414 0 O-C-N 124.276 0.985 . . . . 0.0 114.259 -173.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.71 -161.87 18.26 Favored Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.3 tp -85.89 143.14 28.39 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.753 0.311 . . . . 0.0 110.642 -178.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -72.71 140.25 47.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.444 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -102.2 126.44 49.17 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.814 0.34 . . . . 0.0 110.241 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.512 HG21 ' HB3' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -98.29 111.17 23.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.003 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.406 ' HD2' ' CD1' ' A' ' 42' ' ' PHE . 77.6 m-85 -104.98 137.35 42.86 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.832 0.349 . . . . 0.0 110.623 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.637 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 18.3 ttp180 -74.11 127.82 33.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.777 -178.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.8 mt -131.06 139.63 49.93 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.394 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -74.9 166.04 24.29 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 177.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.45 -39.37 67.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.005 0.431 . . . . 0.0 110.902 177.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -66.38 -32.95 74.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.876 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -74.58 -41.19 60.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.89 0.376 . . . . 0.0 110.651 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -67.8 -21.58 65.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.505 0.669 . . . . 0.0 110.232 176.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -78.17 -6.31 54.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.514 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -99.9 -62.71 1.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.809 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 pp -88.17 151.45 22.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.765 0.317 . . . . 0.0 110.439 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.3 m -123.1 149.36 44.58 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.839 -175.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 74.5 t -64.13 130.19 28.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.001 0.429 . . . . 0.0 110.452 177.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.51 -5.41 58.65 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.898 -176.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -73.44 97.23 2.51 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -74.21 109.95 8.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.66 172.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.38 176.65 37.9 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.796 -177.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.45 142.9 44.89 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.007 0.432 . . . . 0.0 111.764 -174.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.518 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 46.6 tp -117.4 121.03 39.96 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.848 178.341 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.543 ' HA ' ' HG2' ' A' ' 6' ' ' GLN . 22.6 t -101.63 116.78 33.51 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.638 -178.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.651 ' HA ' HG23 ' A' ' 79' ' ' VAL . 37.9 p90 -154.74 139.72 17.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.246 0.546 . . . . 0.0 111.908 178.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -104.69 112.86 26.12 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 167.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.46 -116.79 9.48 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.38 -0.914 . . . . 0.0 111.83 -177.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.9 m -118.29 11.4 13.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.378 0.608 . . . . 0.0 110.324 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -67.24 -33.95 76.43 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.005 -175.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 75.4 t80 63.6 100.97 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.466 0.651 . . . . 0.0 110.623 -175.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.651 HG23 ' HA ' ' A' ' 73' ' ' TYR . 42.9 t -86.23 -31.92 6.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.348 0.594 . . . . 0.0 109.878 -179.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 147.12 154.18 6.13 Favored Glycine 0 N--CA 1.442 -0.939 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.331 175.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -87.32 128.8 35.18 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 175.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 45.7 t -111.95 106.48 20.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.871 0.367 . . . . 0.0 110.959 -175.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.324 -0.537 0 CA-C-O 121.463 0.649 . . . . 0.0 109.579 173.669 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 . . . . . 0 N--CA 1.448 -0.526 0 CA-C-O 120.917 0.389 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.616 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 98.9 mt-30 -104.24 134.13 48.0 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.106 178.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -142.89 145.86 33.51 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.82 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -78.91 121.17 24.53 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.977 0.418 . . . . 0.0 110.063 177.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.6 m -132.83 174.43 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.652 -177.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.521 HG22 ' HG2' ' A' ' 68' ' ' GLN . 35.0 t -115.51 125.56 72.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.804 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 38.0 t -78.28 100.83 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 172.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.7 m -74.85 -52.5 11.19 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -170.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -161.19 163.69 31.0 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.791 -174.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -105.56 143.69 33.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.502 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -148.67 -174.28 4.57 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.643 177.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -145.35 114.2 6.88 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.354 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.701 ' HZ1' ' HB2' ' A' ' 17' ' ' LYS . 9.6 mtmp? . . . . . 0 C--N 1.32 -0.699 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 169.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.407 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 23.7 m-85 -66.19 139.02 58.09 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.013 -172.082 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.683 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 51.0 mt-10 -108.09 152.22 24.82 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.902 175.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -126.64 144.14 51.0 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.739 176.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.9 p -94.28 125.41 38.9 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 178.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.417 ' CD1' ' HD2' ' A' ' 53' ' ' PHE . 97.3 m-85 -102.42 117.79 35.49 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.096 -178.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -95.18 114.75 64.46 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.641 -177.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -74.19 128.35 12.08 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.424 2.083 . . . . 0.0 111.826 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.4 mt -63.07 -51.12 67.91 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -92.25 97.66 11.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.844 176.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 129.33 -153.44 19.88 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.516 -0.85 . . . . 0.0 112.605 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -152.21 178.07 29.64 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 121.182 -0.532 . . . . 0.0 111.796 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.0 mt 67.65 126.17 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.507 0.67 . . . . 0.0 111.416 -177.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -93.36 122.49 35.83 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.812 -177.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -88.32 120.64 29.88 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.899 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.419 HG23 ' HB3' ' A' ' 39' ' ' GLU . 5.7 m -93.55 120.34 33.7 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.084 -179.145 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.417 ' HD2' ' CD1' ' A' ' 42' ' ' PHE . 71.2 m-85 -116.71 149.94 39.03 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.813 0.339 . . . . 0.0 111.233 -177.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.683 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 38.7 ptt180 -74.05 138.97 44.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.64 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 38' ' ' TYR . 81.3 mt -129.12 146.1 51.14 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.091 0.472 . . . . 0.0 110.437 177.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -92.0 165.23 13.3 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 173.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.04 -34.81 44.87 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.639 0.256 . . . . 0.0 111.642 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -61.63 -54.79 38.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.946 0.403 . . . . 0.0 110.449 177.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.483 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 86.9 mt-30 -63.59 -40.04 95.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.823 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -58.05 -35.09 70.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.482 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -87.61 -19.96 27.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.938 0.399 . . . . 0.0 110.429 178.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.49 -41.15 24.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.543 -177.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 59' ' ' GLN . 3.3 pp -107.49 152.27 24.44 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.912 0.387 . . . . 0.0 110.282 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.1 m -117.5 149.99 39.69 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.774 -175.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.6 t -67.48 118.74 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 171.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.62 -4.04 46.57 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.588 -173.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -75.36 93.68 2.95 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.521 ' HG2' HG22 ' A' ' 10' ' ' VAL . 88.8 mt-30 -74.54 111.17 9.46 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.799 174.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.36 -170.79 26.5 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.384 -0.912 . . . . 0.0 112.645 -175.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 p -87.58 140.67 29.29 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.182 0.515 . . . . 0.0 112.004 -173.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.616 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 61.0 tp -117.43 128.27 54.84 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.124 179.267 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.7 m -100.99 112.03 24.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.142 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -141.59 155.02 45.78 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.948 0.404 . . . . 0.0 110.863 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -123.58 87.5 2.75 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.398 175.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.96 -114.23 4.13 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -173.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 24.0 p -100.07 4.67 44.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.087 0.47 . . . . 0.0 110.835 175.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 69.9 mtt85 -87.61 108.91 19.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.577 -177.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.448 ' CE1' HD13 ' A' ' 71' ' ' LEU . 84.3 t80 -75.94 107.46 8.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.927 177.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 68.0 t -84.29 -46.65 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.157 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.89 152.97 7.14 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.556 177.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -94.72 129.79 41.49 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.5 t -114.45 108.56 25.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.819 0.342 . . . . 0.0 110.635 -176.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.5 m . . . . . 0 C--N 1.323 -0.556 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 176.623 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 . . . . . 0 N--CA 1.449 -0.513 0 CA-C-O 121.398 0.618 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.465 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 93.5 mt-30 -106.88 114.2 28.15 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.453 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.6 tttm -133.21 140.93 47.81 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 176.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -79.93 131.64 35.88 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.054 0.454 . . . . 0.0 110.702 -178.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.4 m -127.77 175.46 9.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.907 -177.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.421 ' HB ' ' HB3' ' A' ' 43' ' ' LYS . 47.9 t -104.69 125.91 59.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.963 176.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.7 t -77.82 96.67 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 172.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.431 ' OG ' ' HB2' ' A' ' 43' ' ' LYS . 15.7 m -57.97 -61.09 2.79 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.277 -174.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -173.43 155.3 2.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.324 -178.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.429 ' HD2' ' CE1' ' A' ' 60' ' ' TYR . 1.1 ptmt -83.38 121.68 27.47 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.019 171.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -121.12 139.78 52.87 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.221 0.534 . . . . 0.0 111.214 -175.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.4 mp0 -89.5 94.73 9.98 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 174.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt . . . . . 0 C--N 1.319 -0.743 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.814 -177.44 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.4 mtm-85 . . . . . 0 N--CA 1.451 -0.377 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -79.03 164.47 24.32 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.76 -178.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.456 ' HB3' HG22 ' A' ' 52' ' ' THR . 29.1 mt-10 -129.3 141.37 51.12 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 175.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.69 135.53 54.42 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.829 0.347 . . . . 0.0 110.713 -177.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.3 m -94.55 129.36 41.4 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.832 -178.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -102.79 129.92 49.6 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.37 175.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.431 ' HB2' ' OG ' ' A' ' 12' ' ' SER . 19.7 tttp -95.04 121.29 62.8 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.667 -172.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -72.95 115.43 4.35 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 122.888 2.392 . . . . 0.0 111.596 176.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.6 mt -58.57 -33.93 70.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.658 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -91.05 20.61 4.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.118 0.485 . . . . 0.0 111.189 -175.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.66 145.14 4.77 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.225 -178.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.21 -178.51 26.7 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.869 -0.681 . . . . 0.0 111.614 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.7 mt -82.97 139.4 33.35 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 176.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -67.17 125.91 27.53 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.144 0.497 . . . . 0.0 110.539 -178.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -82.78 104.48 13.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.043 -177.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.456 HG22 ' HB3' ' A' ' 39' ' ' GLU . 14.1 m -96.51 107.54 19.96 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.598 -178.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -109.68 153.29 24.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.533 -179.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.434 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 25.2 ttm180 -85.74 144.55 27.72 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.059 -174.234 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.43 HD11 ' HG ' ' A' ' 63' ' ' LEU . 70.6 mt -129.75 153.18 48.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.604 -175.201 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -90.12 164.37 14.49 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 167.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.65 -39.91 74.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.906 0.384 . . . . 0.0 111.148 178.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -62.69 -44.5 96.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.684 177.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -67.82 -38.75 83.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.4 0.619 . . . . 0.0 109.861 178.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.429 ' CE1' ' HD2' ' A' ' 14' ' ' LYS . 78.5 t80 -54.87 -33.27 61.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.797 -1.092 . . . . 0.0 111.569 179.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -64.12 -30.47 71.53 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.28 177.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.83 -6.32 57.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.858 0.361 . . . . 0.0 111.467 -174.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.43 ' HG ' HD11 ' A' ' 55' ' ' LEU . 4.3 mm? -94.07 90.69 6.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.225 0.536 . . . . 0.0 111.061 -179.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.6 m -88.36 111.94 22.31 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.473 178.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 42.8 t -62.55 125.73 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.214 0.53 . . . . 0.0 111.376 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 96.73 -23.78 33.84 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.88 -177.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -78.54 92.6 4.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.12 0.486 . . . . 0.0 110.065 -178.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -60.45 134.91 57.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.915 177.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.34 176.13 37.9 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.369 -0.92 . . . . 0.0 112.335 -175.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.5 m -78.22 136.74 37.85 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.236 0.541 . . . . 0.0 111.283 -173.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 45.9 tp -117.43 125.0 50.21 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.72 178.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 35.2 m -101.31 112.05 24.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.094 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 55.2 p90 -136.11 157.75 46.08 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.916 0.389 . . . . 0.0 110.755 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -130.96 120.37 23.43 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 176.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.28 -114.03 5.5 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 120.218 -0.991 . . . . 0.0 111.317 -177.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.3 m -115.44 3.39 14.1 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.014 0.435 . . . . 0.0 110.487 178.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 56.4 ttt85 -105.68 141.3 37.36 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.331 0.586 . . . . 0.0 111.77 -173.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -75.39 133.46 41.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.708 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.8 t -108.0 -55.12 5.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.909 0.385 . . . . 0.0 110.43 177.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -168.28 154.34 24.14 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.518 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -107.14 135.86 47.96 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 177.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 47.0 t -125.22 102.27 10.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.875 0.369 . . . . 0.0 110.763 -177.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.326 -0.413 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 174.61 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 . . . . . 0 N--CA 1.451 -0.403 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.47 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 96.8 mt-30 -116.67 138.55 51.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.102 -178.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -156.7 159.56 38.49 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.412 -0.813 . . . . 0.0 108.881 176.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -89.18 131.08 35.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.028 0.442 . . . . 0.0 110.072 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.6 m -134.75 174.25 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.716 -176.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.417 HG21 ' HG2' ' A' ' 68' ' ' GLN . 62.1 t -116.63 126.55 74.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.411 178.148 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.538 HG22 HD11 ' A' ' 63' ' ' LEU . 26.0 t -76.82 88.93 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 170.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 p -82.04 -53.55 6.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.356 -170.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -131.36 143.4 50.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.01 0.433 . . . . 0.0 111.63 -176.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HE3' ' HB3' ' A' ' 14' ' ' LYS . 0.9 OUTLIER -98.07 121.51 40.09 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 170.44 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.432 HH12 ' CD ' ' A' ' 50' ' ' GLU . 47.1 mtt85 -118.95 153.02 35.29 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.53 -176.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -138.23 94.56 2.88 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm . . . . . 0 C--N 1.322 -0.624 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.319 179.715 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 . . . . . 0 N--CA 1.451 -0.412 0 CA-C-O 120.533 0.206 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -86.55 106.49 17.57 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -103.45 144.54 31.26 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 121.134 0.492 . . . . 0.0 110.49 -172.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.5 129.09 55.17 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.91 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.669 ' HB3' ' HB3' ' A' ' 50' ' ' GLU . 17.0 m -94.39 122.77 37.29 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.209 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -102.67 118.49 36.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.102 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.437 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 81.8 tttt -95.19 128.71 37.7 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.753 -177.436 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 14.1 Cg_exo -70.22 127.21 13.9 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 123.093 2.529 . . . . 0.0 112.096 176.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.91 -24.15 67.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.513 -177.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -106.35 23.62 13.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.312 0.577 . . . . 0.0 110.998 -174.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.54 140.54 10.68 Favored Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.419 179.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.408 ' HA3' ' HG2' ' A' ' 44' ' ' PRO . . . 149.25 174.77 21.04 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 111.394 -0.682 . . . . 0.0 111.394 -179.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 76.8 mt -89.26 152.0 21.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.718 0.294 . . . . 0.0 110.209 178.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.669 ' HB3' ' HB3' ' A' ' 41' ' ' SER . 45.4 mt-10 -66.11 127.49 32.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.542 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.9 mttp -89.18 104.02 16.6 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.899 175.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.0 m -84.22 98.24 9.84 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.86 -177.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -97.59 139.76 33.01 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 176.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.3 mtt-85 -87.11 137.62 32.19 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.501 -174.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.6 mt -132.54 171.43 13.8 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.89 -176.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -96.93 169.97 9.48 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.353 173.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.39 -38.14 89.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.077 0.465 . . . . 0.0 110.038 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -60.47 -43.0 97.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.489 175.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -70.12 -35.62 74.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.117 -179.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -66.64 -25.5 66.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.162 0.506 . . . . 0.0 110.423 177.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -75.82 -9.66 58.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.608 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -89.97 -32.86 16.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.83 -177.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.538 HD11 HG22 ' A' ' 11' ' ' VAL . 2.4 pt? -114.78 165.24 13.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 110.925 -176.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.563 ' HB ' ' HB2' ' A' ' 67' ' ' ASP . 24.2 m -123.05 140.62 52.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.765 -177.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 55.8 t -69.44 120.18 16.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 175.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.63 -12.4 53.9 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 121.149 -0.548 . . . . 0.0 111.819 -174.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.563 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 13.0 t70 -78.67 93.27 4.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.093 0.473 . . . . 0.0 109.916 -179.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.417 ' HG2' HG21 ' A' ' 10' ' ' VAL . 45.6 mt-30 -67.37 127.7 33.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.991 177.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.47 -170.92 26.81 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.995 -176.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.2 m -95.34 138.59 32.82 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.019 0.438 . . . . 0.0 111.053 -174.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.47 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 65.9 tp -117.44 131.24 56.78 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.252 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.1 m -103.49 114.15 28.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.548 176.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -140.35 170.18 16.3 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.627 -177.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -137.88 87.38 2.25 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 174.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.81 -137.1 23.82 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -171.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.8 m -89.76 65.68 6.86 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.189 0.519 . . . . 0.0 109.905 176.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 19.5 ttm-85 -153.51 125.66 7.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.801 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -79.45 117.8 20.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.4 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.2 t -98.25 -48.65 12.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.125 0.488 . . . . 0.0 109.72 175.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -179.14 139.86 4.13 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.322 177.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -98.41 124.25 42.99 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 176.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 36.9 t -110.32 95.08 3.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.273 0.559 . . . . 0.0 110.4 -177.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.1 p . . . . . 0 C--N 1.32 -0.679 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 173.077 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.618 0.246 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -105.07 109.34 21.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.168 0.508 . . . . 0.0 110.354 175.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -125.06 137.2 54.21 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.282 179.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.438 ' HG2' ' HA ' ' A' ' 70' ' ' THR . 75.2 mt-30 -82.98 132.06 35.16 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.379 177.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.448 HG13 ' HA ' ' A' ' 44' ' ' PRO . 21.3 m -126.69 167.43 21.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.162 -175.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.516 HG23 ' HG2' ' A' ' 68' ' ' GLN . 49.0 t -103.82 122.08 56.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.349 176.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.501 HG21 HD12 ' A' ' 63' ' ' LEU . 23.8 t -72.37 97.3 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 172.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.64 ' HB3' ' HB3' ' A' ' 41' ' ' SER . 29.4 t -71.98 -57.25 4.45 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.654 -171.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -175.45 162.43 2.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.261 -176.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.1 pttt -84.65 133.57 34.4 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 173.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -132.72 150.18 52.19 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.402 0.62 . . . . 0.0 110.73 -177.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -109.31 120.06 41.36 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.779 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.671 ' HE3' HG21 ' A' ' 52' ' ' THR . 92.5 mttt . . . . . 0 C--N 1.322 -0.612 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.569 178.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.6 mtm-85 . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -90.55 111.61 22.97 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 175.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.743 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 51.6 mt-10 -103.3 145.04 30.55 Favored 'General case' 0 C--N 1.31 -1.137 0 C-N-CA 119.91 -0.716 . . . . 0.0 109.143 -174.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.35 148.75 42.18 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 121.254 0.549 . . . . 0.0 111.122 -170.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.64 ' HB3' ' HB3' ' A' ' 12' ' ' SER . 11.6 t -94.82 112.65 24.36 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.982 -177.354 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.455 ' CD1' ' HD2' ' A' ' 53' ' ' PHE . 96.3 m-85 -106.27 108.43 19.95 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.961 178.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.599 ' HB2' ' HG2' ' A' ' 50' ' ' GLU . 59.9 tttp -95.48 124.56 52.77 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.167 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.448 ' HA ' HG13 ' A' ' 9' ' ' VAL . 24.1 Cg_exo -65.01 134.77 41.16 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.729 2.286 . . . . 0.0 111.435 172.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.2 mt -63.68 -60.06 3.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.142 0.496 . . . . 0.0 111.89 -177.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -99.16 89.04 4.1 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.395 -174.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.39 95.87 0.14 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.134 -0.555 . . . . 0.0 113.123 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 169.18 143.43 3.86 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.163 -1.018 . . . . 0.0 112.995 178.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.5 tp -88.94 154.9 19.85 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.599 ' HG2' ' HB2' ' A' ' 43' ' ' LYS . 42.6 mt-10 -59.04 129.03 40.19 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 123.412 0.445 . . . . 0.0 111.704 -177.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -102.01 143.14 32.23 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 173.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.671 HG21 ' HE3' ' A' ' 17' ' ' LYS . 3.6 m -108.95 118.1 35.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.687 0.28 . . . . 0.0 111.137 -176.384 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.455 ' HD2' ' CD1' ' A' ' 42' ' ' PHE . 90.6 m-85 -115.78 149.01 39.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.622 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.743 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 37.0 ttm180 -82.22 131.52 35.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.323 -174.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.422 ' HB3' ' HB2' ' A' ' 60' ' ' TYR . 83.3 mt -133.96 142.46 47.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.19 0.519 . . . . 0.0 110.992 179.032 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -119.42 -167.76 1.46 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.379 172.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -43.86 -76.46 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -169.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -70.74 -21.71 62.5 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.673 -174.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -71.51 -45.3 62.82 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.941 0.4 . . . . 0.0 110.38 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.422 ' HB2' ' HB3' ' A' ' 55' ' ' LEU . 86.0 t80 -75.82 -23.95 55.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.326 0.584 . . . . 0.0 110.247 178.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -72.18 -16.6 61.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.995 -179.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.72 -6.23 58.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.928 -176.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.501 HD12 HG21 ' A' ' 11' ' ' VAL . 2.4 pt? -144.16 164.48 30.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.836 0.35 . . . . 0.0 110.393 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.4 m -123.17 144.51 49.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.483 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 44.8 t -61.6 124.6 16.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.07 0.462 . . . . 0.0 110.408 174.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.27 -18.06 54.65 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.976 -176.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -78.51 92.57 4.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.176 0.512 . . . . 0.0 109.779 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.516 ' HG2' HG23 ' A' ' 10' ' ' VAL . 86.4 mt-30 -62.4 134.12 56.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.196 175.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.28 177.33 37.65 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.191 -1.004 . . . . 0.0 112.527 -175.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.478 ' HB ' ' HB ' ' A' ' 82' ' ' VAL . 17.2 m -84.92 133.4 34.29 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.933 0.396 . . . . 0.0 111.319 -172.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.6 tp -117.19 124.56 49.41 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.199 178.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.3 m -104.87 122.97 46.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.615 179.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -150.11 160.92 43.29 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.222 0.534 . . . . 0.0 111.152 -175.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -123.69 104.81 9.22 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.33 -0.85 . . . . 0.0 108.958 173.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.3 -114.2 4.08 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.515 -0.85 . . . . 0.0 111.356 -176.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.9 p -113.37 4.7 16.47 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.855 0.359 . . . . 0.0 110.92 177.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.2 ttt85 -97.39 133.12 42.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.113 0.482 . . . . 0.0 111.471 -175.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.412 ' HB2' ' CD1' ' A' ' 53' ' ' PHE . 52.9 t80 -70.27 127.56 33.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.667 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 85.6 t -108.86 -49.91 7.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.328 176.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -170.51 155.49 25.04 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.013 178.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -126.23 133.15 51.57 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.478 ' HB ' ' HB ' ' A' ' 70' ' ' THR . 43.3 t -109.61 95.74 4.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.784 178.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 C--N 1.321 -0.654 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.545 179.692 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 . . . . . 0 N--CA 1.449 -0.512 0 CA-C-O 120.929 0.395 . . . . 0.0 110.114 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.488 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 97.3 mt-30 -103.49 114.63 29.05 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.548 179.16 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -133.36 169.2 17.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.928 177.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -86.84 125.95 34.32 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 173.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.2 m -124.01 157.96 30.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 120.817 0.341 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.502 HG21 ' HG2' ' A' ' 68' ' ' GLN . 26.0 t -103.01 120.6 53.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.413 178.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.54 HG23 ' HB2' ' A' ' 63' ' ' LEU . 48.1 t -67.87 104.3 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 171.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.4 t -97.04 -58.13 2.1 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.184 -169.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -127.59 146.32 50.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.888 0.375 . . . . 0.0 111.676 -174.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -113.12 124.97 53.81 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 170.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -138.83 163.6 31.83 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.711 -171.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -146.63 110.11 4.84 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.282 171.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp . . . . . 0 C--N 1.323 -0.56 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.765 177.521 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.209 0 CA-C-O 121.109 0.481 . . . . 0.0 110.383 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.408 ' N ' ' HD1' ' A' ' 38' ' ' TYR . 2.3 m-30 -61.36 125.18 22.84 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.538 -174.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.885 ' HG2' ' HG2' ' A' ' 54' ' ' ARG . 34.8 mt-10 -103.53 135.74 44.56 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 -179.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.22 128.95 55.19 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.883 0.373 . . . . 0.0 111.172 -175.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.703 ' HB3' ' HB3' ' A' ' 50' ' ' GLU . 20.2 m -94.42 121.58 36.1 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.72 177.367 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -102.73 127.86 49.69 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.191 -178.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.481 ' HB3' ' HB ' ' A' ' 10' ' ' VAL . 72.8 tttt -95.92 122.42 58.49 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.295 -176.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 3.8 Cg_exo -76.28 132.39 13.72 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.856 2.37 . . . . 0.0 112.601 -178.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.99 -23.66 64.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.197 178.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -87.01 17.27 4.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.821 -175.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.43 127.29 0.27 Allowed Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.439 -0.801 . . . . 0.0 112.599 -177.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 169.3 -147.1 10.73 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.531 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.0 mt -123.75 154.68 39.16 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.251 -0.278 . . . . 0.0 110.251 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.703 ' HB3' ' HB3' ' A' ' 41' ' ' SER . 23.9 mt-10 -68.28 113.37 5.83 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.031 -177.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 41' ' ' SER . 61.4 mttm -82.6 120.86 26.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.589 178.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 24.8 m -102.51 110.77 22.81 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.946 0.403 . . . . 0.0 111.34 -175.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -112.85 151.54 30.3 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.951 178.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.885 ' HG2' ' HG2' ' A' ' 39' ' ' GLU . 85.6 mtm-85 -88.5 135.32 33.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.959 0.409 . . . . 0.0 111.056 -177.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 91.3 mt -133.03 167.82 19.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.2 -174.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -104.27 165.94 10.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.842 174.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.82 -35.95 82.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.057 0.455 . . . . 0.0 110.239 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -57.15 -34.21 68.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.828 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -86.93 -39.51 15.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.522 -178.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -63.59 -17.1 62.5 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.373 178.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -52.46 -30.39 29.52 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.149 176.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.54 -61.06 1.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -176.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.54 ' HB2' HG23 ' A' ' 11' ' ' VAL . 0.7 OUTLIER -72.93 133.91 44.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.447 0.641 . . . . 0.0 111.846 -172.849 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.8 m -123.2 149.73 44.28 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.646 177.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 83.6 t -59.66 125.62 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.813 0.34 . . . . 0.0 110.656 178.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.16 -23.64 32.47 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.78 -176.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -76.24 96.37 3.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.3 0.571 . . . . 0.0 110.469 -177.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.502 ' HG2' HG21 ' A' ' 10' ' ' VAL . 79.2 mt-30 -61.29 143.16 56.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.17 174.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.455 ' HA3' ' HA ' ' A' ' 83' ' ' SER . . . -161.41 177.51 37.69 Favored Glycine 0 N--CA 1.443 -0.881 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.9 m -91.65 130.94 37.37 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.134 0.493 . . . . 0.0 110.531 -175.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.488 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 58.3 tp -117.27 122.39 43.82 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.668 -177.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.535 ' O ' ' HB ' ' A' ' 79' ' ' VAL . 22.8 m -98.1 105.22 17.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.352 175.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.3 p90 -121.27 122.67 40.43 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.372 0.606 . . . . 0.0 110.188 175.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.405 ' HE3' ' HB2' ' A' ' 74' ' ' LYS . 36.6 ttmt -98.66 103.86 15.85 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.491 -0.777 . . . . 0.0 108.996 -178.481 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.95 -114.46 3.83 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.542 -0.837 . . . . 0.0 111.111 -174.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.9 p -119.56 16.07 12.86 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.061 0.458 . . . . 0.0 110.733 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 77' ' ' ARG . 22.5 ttm-85 -112.95 139.0 48.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.76 -175.047 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -69.51 116.03 9.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.801 174.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.535 ' HB ' ' O ' ' A' ' 72' ' ' SER . 98.5 t -97.37 -57.21 4.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.702 0.287 . . . . 0.0 110.388 178.29 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -165.3 143.29 8.34 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.352 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -117.95 128.62 54.98 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 177.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.9 t -131.69 111.7 19.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.225 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.455 ' HA ' ' HA3' ' A' ' 69' ' ' GLY . 51.5 m . . . . . 0 C--N 1.325 -0.489 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 174.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 . . . . . 0 N--CA 1.45 -0.455 0 CA-C-O 121.203 0.525 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.411 ' HB3' ' CG2' ' A' ' 70' ' ' THR . 95.6 mt-30 -113.18 115.58 28.47 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.79 -176.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -136.15 149.51 48.66 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 173.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -84.45 141.1 31.05 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.117 0.484 . . . . 0.0 111.351 -176.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.2 m -137.7 172.58 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.582 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.517 HG22 ' HG2' ' A' ' 68' ' ' GLN . 41.6 t -107.78 119.32 57.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.096 175.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.65 HG23 HD13 ' A' ' 63' ' ' LEU . 16.5 t -68.62 96.53 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 171.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.3 t -79.25 -48.57 13.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.872 -167.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -164.73 151.8 11.16 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.873 -175.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -88.28 151.08 22.89 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 173.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -138.96 168.25 20.25 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.816 0.341 . . . . 0.0 110.602 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -142.91 95.03 2.71 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 171.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.583 ' HA ' ' HZ2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.697 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 176.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 . . . . . 0 N--CA 1.451 -0.42 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -85.09 -173.25 4.61 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.734 -175.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -132.41 152.41 51.49 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.441 ' O ' ' HA ' ' A' ' 52' ' ' THR . . . -123.69 132.98 53.96 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.679 0.276 . . . . 0.0 110.864 -178.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.471 ' OG ' ' HB3' ' A' ' 50' ' ' GLU . 12.4 t -96.64 117.79 31.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.058 179.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -102.88 117.69 35.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.279 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -98.63 124.98 44.3 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.237 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.03 139.02 59.48 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.89 2.393 . . . . 0.0 112.36 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 71.2 mt -63.03 -34.76 78.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.417 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.67 23.24 8.92 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.684 -172.303 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.96 148.85 6.08 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.638 -176.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.31 -172.54 29.34 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.252 -0.975 . . . . 0.0 112.371 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.2 mt -81.77 148.53 28.86 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.801 0.334 . . . . 0.0 110.822 -177.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.471 ' HB3' ' OG ' ' A' ' 41' ' ' SER . 42.6 mt-10 -82.51 112.3 19.31 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.302 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -82.47 113.2 20.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.274 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.441 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 24.4 m -98.33 113.57 25.58 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.719 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -116.31 149.88 38.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.936 178.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -88.03 125.95 34.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.935 0.398 . . . . 0.0 111.163 -174.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.5 mt -131.76 135.99 47.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.093 -175.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -81.03 173.31 12.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.122 178.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.98 -46.42 89.5 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.861 0.363 . . . . 0.0 111.328 -178.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -64.01 -33.37 75.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.268 178.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -78.57 -41.3 32.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.503 -178.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -59.2 -35.99 74.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.075 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -84.03 23.43 1.04 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -177.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.65 -11.8 21.7 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 168.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.65 HD13 HG23 ' A' ' 11' ' ' VAL . 1.5 pt? -142.62 171.51 13.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.246 -178.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.538 ' HB ' ' HB2' ' A' ' 67' ' ' ASP . 1.3 m -123.32 154.23 39.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.66 -179.092 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 49.0 t -71.7 121.04 21.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 170.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.92 -5.19 66.16 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.982 -0.628 . . . . 0.0 111.586 -173.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.538 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 0.9 OUTLIER -77.96 90.74 4.17 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.838 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.517 ' HG2' HG22 ' A' ' 10' ' ' VAL . 97.0 mt-30 -64.81 120.36 12.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.751 176.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.54 176.8 38.02 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.28 -0.962 . . . . 0.0 112.22 -176.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.411 ' CG2' ' HB3' ' A' ' 6' ' ' GLN . 7.1 m -77.04 139.84 40.16 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.964 0.411 . . . . 0.0 110.9 -175.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 52.4 tp -117.38 116.05 26.43 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.2 p -93.9 110.96 22.6 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.532 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -139.13 166.34 24.77 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.248 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -126.35 91.95 3.47 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 175.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.45 -114.33 5.36 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.314 -0.946 . . . . 0.0 111.004 -175.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.2 p -94.44 -3.28 50.39 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.876 0.369 . . . . 0.0 111.063 177.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -89.13 113.4 24.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.661 -175.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -73.88 125.28 27.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.271 175.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.0 t -106.97 -50.3 7.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.748 0.309 . . . . 0.0 110.75 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -176.5 177.03 48.01 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.595 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -125.23 134.1 52.46 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 62.1 t -127.05 98.69 4.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.961 0.41 . . . . 0.0 111.096 -176.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.4 t . . . . . 0 C--N 1.323 -0.575 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 173.704 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.5 mtm . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.75 111.02 4.16 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.893 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -71.86 158.95 51.81 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.779 2.319 . . . . 0.0 111.023 175.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.496 HD11 ' HB3' ' A' ' 72' ' ' SER . 19.8 tp -78.35 103.27 8.18 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.086 0.47 . . . . 0.0 109.91 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -80.04 112.1 17.02 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.567 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 97.9 mt-30 -116.05 123.47 48.02 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.876 -177.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -142.58 150.59 40.55 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 175.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.445 ' HG2' ' NH2' ' A' ' 84' ' ' ARG . 22.7 mp0 -77.6 129.62 35.84 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.784 0.326 . . . . 0.0 110.373 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.2 m -130.34 171.13 18.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.803 -178.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.517 HG22 ' HG2' ' A' ' 68' ' ' GLN . 87.4 t -109.79 123.84 66.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.493 176.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.2 t -75.53 93.74 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 169.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.2 p -81.69 -57.14 3.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.85 -168.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -155.12 153.76 31.32 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.429 -173.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -84.26 145.76 28.13 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 173.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -137.56 161.5 36.26 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -176.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -145.71 101.02 3.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.93 0.395 . . . . 0.0 110.405 178.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 75.4 mmtt -103.64 131.56 21.91 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.741 173.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.473 ' HB2' ' HB3' ' A' ' 31' ' ' PRO . 50.3 Cg_exo -54.19 148.03 42.33 Favored 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 123.047 2.498 . . . . 0.0 112.65 -178.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.8 t -118.62 152.81 20.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.927 -174.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -133.4 138.1 46.1 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 173.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.419 ' OD1' ' HG3' ' A' ' 23' ' ' ARG . 11.4 t70 -76.64 152.47 35.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.06 0.457 . . . . 0.0 110.412 -177.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -71.29 -23.03 61.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.587 -175.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.419 ' HG3' ' OD1' ' A' ' 21' ' ' ASP . 47.6 mtm-85 -67.97 -19.97 65.0 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.87 0.366 . . . . 0.0 111.078 -178.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.459 ' HB3' ' HG2' ' A' ' 26' ' ' GLN . 19.3 m -65.26 -33.52 76.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.04 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 55.53 35.84 25.94 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.424 0.63 . . . . 0.0 110.245 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.459 ' HG2' ' HB3' ' A' ' 24' ' ' SER . 70.3 mm-40 -70.34 140.33 52.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.931 -174.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -93.7 11.14 30.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.103 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -143.9 166.85 23.77 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.753 -1.112 . . . . 0.0 108.324 -178.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.5 t -64.35 -75.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.512 0.196 . . . . 0.0 110.573 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.0 m 49.19 81.64 0.26 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.19 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.473 ' HB3' ' HB2' ' A' ' 18' ' ' PRO . 20.9 Cg_endo -61.58 138.53 76.07 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.756 2.304 . . . . 0.0 112.451 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.32 57.15 4.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.166 0.508 . . . . 0.0 110.466 177.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.31 -107.28 2.18 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.897 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.4 t -146.56 -177.01 5.41 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.423 ' OG ' ' HD3' ' A' ' 37' ' ' ARG . 6.1 t -151.43 162.63 40.61 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 -177.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 45.1 mtm -95.54 10.69 35.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.822 0.344 . . . . 0.0 110.731 178.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.423 ' HD3' ' OG ' ' A' ' 35' ' ' SER . 4.9 mpt_? -86.41 89.23 7.82 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 176.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -72.62 140.22 47.87 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.191 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.693 ' HG2' ' HG2' ' A' ' 54' ' ' ARG . 39.0 mt-10 -104.06 148.57 26.09 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.013 0.435 . . . . 0.0 110.506 -176.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.53 133.44 55.86 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.868 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.1 m -94.53 116.1 28.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.384 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -102.91 110.35 22.24 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 176.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -95.38 128.93 36.55 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.73 -176.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -67.5 132.17 26.52 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.502 2.135 . . . . 0.0 111.609 174.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.7 mt -62.36 -30.19 71.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.821 -177.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -86.83 17.26 4.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.161 0.505 . . . . 0.0 111.645 -175.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.78 143.49 4.88 Favored Glycine 0 C--N 1.317 -0.527 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.563 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.29 179.23 24.98 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.022 177.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.7 mt -74.42 139.02 43.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.868 0.366 . . . . 0.0 110.599 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -65.98 133.07 50.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.805 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -82.87 100.67 10.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.7 m -90.68 101.73 14.48 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.463 -178.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -101.82 141.39 34.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.313 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.693 ' HG2' ' HG2' ' A' ' 39' ' ' GLU . 81.4 mtt-85 -85.88 130.09 34.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.441 -177.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.1 mt -123.91 162.88 22.43 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.886 -175.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -86.05 167.01 15.4 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 172.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.66 97.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.058 0.456 . . . . 0.0 110.645 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -67.8 -29.15 68.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.57 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -81.18 -43.61 19.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.928 -177.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -61.79 -30.3 70.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.2 0.524 . . . . 0.0 110.442 177.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -73.44 -7.52 52.09 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.331 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.28 -15.24 29.47 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -174.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -125.35 168.9 12.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.936 0.398 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.5 m -123.09 136.57 54.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.214 -176.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 55.7 t -69.2 129.85 33.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.508 176.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.84 -19.64 46.38 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.734 -176.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -73.62 96.71 2.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.358 0.599 . . . . 0.0 110.604 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.517 ' HG2' HG22 ' A' ' 10' ' ' VAL . 79.3 mt-30 -67.69 126.22 28.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.419 173.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.38 -178.06 35.0 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.387 -0.911 . . . . 0.0 112.212 -176.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.541 ' HB ' ' HB ' ' A' ' 82' ' ' VAL . 7.5 m -82.96 139.96 33.05 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.887 0.375 . . . . 0.0 110.621 -174.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.567 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 49.2 tp -117.26 126.13 52.24 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 179.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.496 ' HB3' HD11 ' A' ' 4' ' ' LEU . 19.9 m -102.94 106.72 17.32 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.791 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -140.37 160.13 40.66 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.155 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -124.81 92.31 3.62 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.59 -114.12 4.01 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 -173.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.4 p -103.9 1.43 31.34 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.097 0.475 . . . . 0.0 110.559 175.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 22.8 ttt85 -92.65 112.56 24.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.819 -176.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -70.92 126.94 30.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.812 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.1 t -103.45 -58.84 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.444 177.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -168.24 162.58 36.37 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.542 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -113.59 134.37 54.74 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.541 ' HB ' ' HB ' ' A' ' 70' ' ' THR . 48.4 t -114.13 97.75 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.902 0.382 . . . . 0.0 110.625 -177.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.1 t -67.9 144.13 55.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.891 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.445 ' NH2' ' HG2' ' A' ' 8' ' ' GLN . 90.1 mtt-85 -67.04 -48.31 68.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.242 0.544 . . . . 0.0 110.12 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.6 m -122.34 87.28 48.42 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.332 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.409 ' HD2' ' OE2' ' A' ' 89' ' ' GLU . 32.3 Cg_exo -59.09 163.84 11.22 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.791 2.327 . . . . 0.0 111.783 176.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -53.36 -43.78 68.03 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -174.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.45 HD21 ' HA ' ' A' ' 88' ' ' ASN . 0.5 OUTLIER -76.5 -9.1 58.41 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -175.75 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.409 ' OE2' ' HD2' ' A' ' 86' ' ' PRO . 25.1 mt-10 -86.58 -5.53 59.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.345 0.593 . . . . 0.0 109.778 173.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.0 tp -110.71 -45.83 3.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.451 -0.795 . . . . 0.0 108.912 171.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.81 89.2 4.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.15 -0.932 . . . . 0.0 108.645 175.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -88.06 170.96 10.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.957 -173.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -84.62 -19.12 33.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.854 -172.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -96.45 120.38 36.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.023 0.439 . . . . 0.0 110.694 177.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -125.36 164.84 19.52 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.222 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -106.77 -29.58 9.45 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 165.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 83.3 t60 . . . . . 0 C--O 1.24 0.603 0 CA-C-N 114.62 -1.173 . . . . 0.0 108.912 172.74 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 N--CA 1.478 0.968 0 CA-C-O 120.781 0.324 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -133.54 115.43 13.61 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.866 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -62.18 -43.11 25.31 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.742 2.295 . . . . 0.0 111.474 176.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.528 HD23 ' HB3' ' A' ' 72' ' ' SER . 46.2 tp -92.2 118.6 31.02 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 171.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -80.18 112.33 17.4 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -176.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.597 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 97.0 mt-30 -124.9 135.96 53.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.803 -176.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -154.59 149.68 26.91 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.244 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.429 ' HA ' ' HA ' ' A' ' 70' ' ' THR . 84.9 mt-30 -80.91 125.4 30.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.12 0.485 . . . . 0.0 110.256 175.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.7 m -129.42 172.66 15.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.569 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.521 HG23 ' HG2' ' A' ' 68' ' ' GLN . 40.6 t -109.42 123.72 65.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.232 178.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.6 t -75.25 97.23 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 173.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.8 m -69.53 -50.87 40.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.751 -173.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -177.25 169.1 2.31 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -176.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -76.97 155.1 32.92 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.934 0.397 . . . . 0.0 109.992 176.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.662 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 3.0 mmp_? -121.79 145.86 47.63 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 174.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -135.97 94.4 3.05 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 -178.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -114.66 103.57 54.8 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.405 175.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -65.24 116.7 4.02 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.626 2.217 . . . . 0.0 111.556 177.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.4 t -54.32 122.77 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.301 178.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -71.78 -49.8 35.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.86 0.362 . . . . 0.0 110.862 -176.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -94.3 93.93 8.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.98 0.419 . . . . 0.0 109.967 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -94.21 90.64 6.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.111 0.482 . . . . 0.0 110.929 -176.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -81.93 92.35 6.73 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 174.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.6 m -60.94 129.9 43.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.013 -174.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -105.1 -178.19 3.58 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.05 173.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -84.3 -38.62 20.2 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 175.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -122.65 146.61 47.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.884 177.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.689 ' HG2' ' H ' ' A' ' 29' ' ' VAL . 20.7 tt0 -142.78 177.23 8.47 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.689 ' H ' ' HG2' ' A' ' 28' ' ' GLU . 4.6 t -85.52 2.76 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.289 0.566 . . . . 0.0 110.401 -178.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.409 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 19.3 m -96.99 109.79 50.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.597 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 30' ' ' SER . 2.7 Cg_endo -81.71 -176.39 3.03 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 123.164 2.576 . . . . 0.0 112.403 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.46 19.03 0.14 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -178.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.05 -30.36 31.64 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.745 -0.741 . . . . 0.0 111.592 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.9 t -170.84 144.08 2.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.751 0.31 . . . . 0.0 110.356 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 p -93.35 1.04 57.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.614 0.721 . . . . 0.0 110.091 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 53.8 mtm -99.97 171.77 7.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.254 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.628 ' NE ' ' HA ' ' A' ' 37' ' ' ARG . 2.4 mmp_? -114.63 136.09 53.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.803 0.335 . . . . 0.0 110.732 -178.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -125.93 138.18 53.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.727 177.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.681 ' HG2' ' HG2' ' A' ' 54' ' ' ARG . 32.3 mt-10 -127.09 161.04 29.39 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.613 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.5 132.04 56.23 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.82 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.6 t -99.77 114.21 27.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.014 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -102.81 123.61 46.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.534 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.54 ' HA ' ' HG2' ' A' ' 50' ' ' GLU . 4.2 ttmp? -95.04 124.09 55.27 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.248 -177.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 6.2 Cg_exo -74.96 113.61 3.84 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 123.154 2.569 . . . . 0.0 112.024 175.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.1 mt -63.59 -21.08 66.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.175 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -105.03 22.9 14.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.068 0.461 . . . . 0.0 110.889 -175.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.44 137.87 3.79 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.591 -0.732 . . . . 0.0 112.257 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.21 172.19 18.63 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 121.066 -0.588 . . . . 0.0 111.872 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.4 tp -80.76 129.89 34.77 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 176.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.54 ' HG2' ' HA ' ' A' ' 43' ' ' LYS . 46.2 mt-10 -59.97 138.63 57.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.957 0.408 . . . . 0.0 110.881 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -94.68 139.64 30.96 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.429 -176.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.3 m -123.62 117.51 25.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.656 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -120.29 136.84 54.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.222 178.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.681 ' HG2' ' HG2' ' A' ' 39' ' ' GLU . 61.0 mtm180 -79.51 134.27 36.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.207 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.2 mt -126.1 169.07 13.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.47 0.652 . . . . 0.0 111.987 -173.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.512 ' HB2' ' HG3' ' A' ' 59' ' ' GLN . 96.7 mt-30 -90.81 174.16 7.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.519 171.18 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.44 -44.76 86.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.261 0.553 . . . . 0.0 110.518 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -69.77 -21.61 63.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.994 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.512 ' HG3' ' HB2' ' A' ' 56' ' ' GLN . 92.3 mt-30 -84.04 -31.7 25.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.251 0.548 . . . . 0.0 109.7 176.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -68.07 -23.07 64.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.937 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -80.97 -10.31 59.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.481 176.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.15 -8.11 46.55 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -172.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -139.47 141.37 37.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.989 0.423 . . . . 0.0 111.096 179.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.4 m -110.4 139.32 45.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.204 -176.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 69.9 t -64.96 129.06 28.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.574 176.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.88 -25.0 25.83 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 121.011 -0.614 . . . . 0.0 111.936 -177.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -75.94 96.15 3.69 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.281 0.563 . . . . 0.0 110.447 -177.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.521 ' HG2' HG23 ' A' ' 10' ' ' VAL . 73.0 mt-30 -60.24 128.2 35.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.065 174.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.32 172.28 37.52 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.348 -0.93 . . . . 0.0 112.413 -177.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 8' ' ' GLN . 22.9 m -82.72 141.26 32.54 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.034 0.445 . . . . 0.0 111.009 -175.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.597 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 61.2 tp -117.39 127.99 54.58 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.052 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.528 ' HB3' HD23 ' A' ' 4' ' ' LEU . 19.2 m -104.04 115.85 31.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.873 178.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.459 ' HA ' HG21 ' A' ' 79' ' ' VAL . 52.2 p90 -144.52 164.69 30.15 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.922 0.391 . . . . 0.0 110.686 178.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.408 ' HE3' HD11 ' A' ' 4' ' ' LEU . 92.3 mttt -131.83 111.86 11.98 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 177.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.71 -114.39 5.06 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.003 -1.094 . . . . 0.0 110.933 -174.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 37.5 p -117.29 13.96 14.68 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.711 0.291 . . . . 0.0 111.008 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 23.4 ttp180 -102.65 127.67 49.66 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.073 0.464 . . . . 0.0 111.329 -178.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -68.28 118.34 11.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.129 177.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.459 HG21 ' HA ' ' A' ' 73' ' ' TYR . 66.4 t -96.96 -46.85 12.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.805 0.336 . . . . 0.0 110.255 178.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 176.21 148.18 6.84 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.377 177.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -96.08 129.98 43.22 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 176.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 47.0 t -122.85 94.72 3.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.184 0.516 . . . . 0.0 110.65 -176.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.3 t -89.64 155.67 19.08 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 174.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -103.55 9.2 37.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.358 0.599 . . . . 0.0 109.411 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.469 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 89.3 m -83.98 108.36 13.68 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.273 171.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 85' ' ' THR . 2.1 Cg_endo -80.81 137.16 11.02 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.654 2.236 . . . . 0.0 113.338 -172.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -157.19 130.99 8.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.844 173.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -103.5 -29.07 11.39 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.284 -0.417 . . . . 0.0 109.95 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 59.18 34.92 23.42 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.894 0.854 . . . . 0.0 109.086 -174.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 59.3 tp -83.66 88.57 7.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.146 -176.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -78.21 156.02 30.03 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 174.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -76.81 8.13 4.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.464 0.649 . . . . 0.0 110.724 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -135.35 113.34 11.14 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 166.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -62.87 -22.83 66.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.123 0.487 . . . . 0.0 111.199 -172.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -141.0 141.11 34.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.614 173.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -75.1 90.75 2.52 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.528 -174.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 24.6 m170 . . . . . 0 C--O 1.249 1.077 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.537 174.352 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.8 mtm . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.29 100.75 48.48 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.941 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -88.87 6.09 4.79 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 123.166 2.578 . . . . 0.0 112.639 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 73' ' ' TYR . 1.6 pt? -96.23 158.65 15.34 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -100.84 123.32 44.86 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.926 0.393 . . . . 0.0 110.739 -178.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.448 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 91.8 mt-30 -122.89 109.59 14.34 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.042 176.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -148.48 163.86 35.92 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.57 ' HA ' ' HA ' ' A' ' 70' ' ' THR . 82.6 mt-30 -86.22 134.24 33.79 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 121.019 0.438 . . . . 0.0 110.423 -178.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.65 HG13 ' HA ' ' A' ' 44' ' ' PRO . 31.6 m -131.38 169.65 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.081 -176.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.501 HG22 ' HG2' ' A' ' 68' ' ' GLN . 26.0 t -104.18 117.71 50.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.503 175.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.593 HG23 HD11 ' A' ' 63' ' ' LEU . 40.9 t -68.48 100.07 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 171.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.3 m -77.26 -54.76 6.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.053 -170.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -173.9 163.98 4.16 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -177.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -95.57 140.48 30.34 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 176.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -145.21 152.82 40.58 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.921 0.391 . . . . 0.0 110.678 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -112.4 102.4 10.53 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 176.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -90.68 140.68 26.57 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 121.201 0.524 . . . . 0.0 111.411 -173.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -81.8 105.45 1.53 Allowed 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 122.042 1.828 . . . . 0.0 111.821 176.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.1 t -122.52 92.32 2.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -108.41 88.09 2.65 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.533 -172.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -142.94 172.38 12.77 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 170.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -66.37 -47.57 72.97 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -170.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.1 mtp85 -136.06 98.68 3.93 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.969 0.414 . . . . 0.0 111.091 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.6 t -89.34 172.93 8.67 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.139 178.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.547 HH11 HG23 ' A' ' 76' ' ' THR . 56.1 mtm180 -86.88 10.63 15.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.075 0.464 . . . . 0.0 111.08 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -114.89 21.08 14.65 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.63 174.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -112.52 125.16 53.94 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -169.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -131.53 177.72 7.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.466 171.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.9 t -102.08 -7.45 9.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.804 0.811 . . . . 0.0 108.98 174.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 m -65.12 134.93 96.07 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 114.803 -1.09 . . . . 0.0 110.955 -177.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -65.77 104.83 0.71 Allowed 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.472 2.114 . . . . 0.0 110.615 171.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.23 -19.61 56.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.514 -174.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.73 -53.87 4.75 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.498 -177.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.9 m -72.93 95.64 2.0 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 176.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.3 m -61.2 -46.3 91.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.241 -175.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 85.0 mtp -91.3 117.37 29.6 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.137 0.494 . . . . 0.0 110.69 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.471 HH21 ' CD ' ' A' ' 39' ' ' GLU . 14.1 ptm180 -63.54 122.4 16.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.131 -177.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -109.27 111.06 22.43 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 172.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.718 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 37.0 mt-10 -104.48 146.45 28.85 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.55 138.52 52.48 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 120.953 0.406 . . . . 0.0 110.608 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.8 m -94.62 117.57 30.34 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.223 178.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -102.87 119.26 38.53 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.818 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -103.5 106.49 52.16 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.052 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.65 ' HA ' HG13 ' A' ' 9' ' ' VAL . 43.4 Cg_exo -57.21 132.3 50.33 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.762 2.308 . . . . 0.0 112.047 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.7 mt -57.52 -55.8 30.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.331 -176.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -101.57 92.14 4.75 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.742 0.306 . . . . 0.0 111.449 -175.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.47 81.4 0.1 Allowed Glycine 0 N--CA 1.452 -0.261 0 CA-C-N 115.815 -0.63 . . . . 0.0 113.278 175.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.52 ' HA3' ' HB2' ' A' ' 44' ' ' PRO . . . -160.9 144.05 9.53 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.582 179.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.7 tp -90.19 157.26 17.8 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 177.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.43 120.6 10.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.009 0.433 . . . . 0.0 111.93 -177.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -101.47 130.13 47.66 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 170.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.415 HG22 ' HB3' ' A' ' 39' ' ' GLU . 13.3 m -107.31 128.57 54.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.783 0.325 . . . . 0.0 110.976 -175.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -122.92 136.67 54.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.594 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.718 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 77.0 ttt180 -74.11 118.34 16.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.846 178.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 78.7 mt -111.05 152.18 27.19 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.886 0.374 . . . . 0.0 111.394 -175.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -92.5 169.49 10.5 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 171.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.04 -43.62 78.03 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -177.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -60.78 -39.39 88.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.955 0.407 . . . . 0.0 110.812 -177.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -75.02 -28.97 60.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.691 -176.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -80.8 -33.57 34.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.67 178.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -64.48 -33.28 75.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.92 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.86 -3.33 59.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.046 0.45 . . . . 0.0 110.762 177.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.593 HD11 HG23 ' A' ' 11' ' ' VAL . 33.6 tp -103.05 142.78 33.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.378 -176.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.527 ' HB ' ' HB2' ' A' ' 67' ' ' ASP . 89.3 m -123.28 135.07 54.05 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.313 177.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 39.1 t -74.12 122.59 27.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.056 0.455 . . . . 0.0 110.144 177.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.02 -5.61 56.32 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 -174.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.527 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 21.5 t70 -76.64 94.23 3.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.31 0.576 . . . . 0.0 110.141 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.501 ' HG2' HG22 ' A' ' 10' ' ' VAL . 96.6 mt-30 -70.44 115.36 9.53 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.724 173.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.44 175.78 38.01 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.177 -176.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.57 ' HA ' ' HA ' ' A' ' 8' ' ' GLN . 11.5 m -78.79 135.62 37.14 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.095 0.474 . . . . 0.0 111.466 -173.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.448 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 58.0 tp -117.47 134.39 54.9 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.753 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 40.6 t -122.42 122.53 39.2 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.848 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.413 ' O ' ' HB2' ' A' ' 4' ' ' LEU . 26.0 p90 -149.04 143.66 26.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.87 0.367 . . . . 0.0 110.439 179.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -122.77 126.23 47.04 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.672 -174.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.1 -114.19 6.53 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.487 -0.863 . . . . 0.0 110.997 -174.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.547 HG23 HH11 ' A' ' 25' ' ' ARG . 22.8 p -120.53 13.58 11.76 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.066 0.46 . . . . 0.0 110.622 175.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 77' ' ' ARG . 36.9 ttt-85 -108.36 138.72 44.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.129 0.49 . . . . 0.0 110.856 -176.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -73.57 121.86 21.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.33 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.412 HG21 ' HA ' ' A' ' 73' ' ' TYR . 86.6 t -91.31 -58.06 3.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.523 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -177.54 170.65 43.18 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.583 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -131.3 133.0 44.94 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 47.4 t -128.65 102.6 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.419 -178.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.2 m -58.75 126.05 26.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.581 177.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.423 ' O ' ' HD3' ' A' ' 86' ' ' PRO . 38.7 ptt180 -69.95 119.37 14.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.24 0.543 . . . . 0.0 110.263 -177.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.9 m -101.12 103.17 23.91 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.583 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' A' ' 84' ' ' ARG . 86.5 Cg_endo -87.07 170.25 7.18 Favored 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 122.804 2.336 . . . . 0.0 112.339 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.923 ' HB2' ' HB2' ' A' ' 90' ' ' LEU . 7.8 m-20 -101.48 149.65 23.86 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.481 178.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -65.91 -48.0 72.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.68 -176.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -99.53 15.81 25.33 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.233 -176.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.923 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 52.4 tp -61.93 -37.37 84.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.985 -177.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -105.92 108.65 20.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.293 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -98.02 137.47 36.78 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -109.3 127.17 54.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.19 0.519 . . . . 0.0 112.237 -175.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -102.36 128.72 48.81 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.923 174.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -121.68 98.68 6.07 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 175.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -71.6 106.94 4.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.503 -177.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 58.6 t60 . . . . . 0 C--O 1.245 0.838 0 CA-C-O 118.428 -0.796 . . . . 0.0 109.827 176.264 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.7 mtp . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 120.763 0.316 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.8 144.66 17.46 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.964 177.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.411 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 23.7 Cg_exo -64.75 157.82 54.01 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.394 2.063 . . . . 0.0 111.714 175.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.524 HD11 ' HB3' ' A' ' 72' ' ' SER . 22.2 tp -101.43 125.66 48.11 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.762 -175.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -99.24 119.4 37.84 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 174.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.482 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 94.2 mt-30 -116.25 127.71 54.97 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.123 -177.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -143.73 140.79 30.17 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 174.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.539 ' HA ' ' HA ' ' A' ' 70' ' ' THR . 75.8 mt-30 -76.83 130.0 37.03 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.122 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.2 m -133.33 177.67 6.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.672 -175.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.512 HG22 ' HG2' ' A' ' 68' ' ' GLN . 25.4 t -117.25 132.44 67.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.553 176.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.4 t -78.6 100.59 3.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 174.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.488 ' OG ' ' HB2' ' A' ' 43' ' ' LYS . 6.9 m -72.62 -65.72 0.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -168.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.468 ' HB3' HH11 ' A' ' 15' ' ' ARG . 17.8 t-20 -146.35 153.14 40.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.959 0.409 . . . . 0.0 110.739 -171.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.532 ' HD3' ' CZ ' ' A' ' 60' ' ' TYR . 18.7 ttpp -112.05 123.45 50.3 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.8 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.468 HH11 ' HB3' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -138.68 179.7 6.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.162 0.506 . . . . 0.0 110.354 176.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -131.87 105.28 7.35 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 170.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.441 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 62.1 mmtt -90.07 119.98 69.28 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-O 121.012 0.434 . . . . 0.0 110.708 -175.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -52.93 116.52 2.97 Favored 'Trans proline' 0 CA--C 1.518 -0.325 0 C-N-CA 123.331 2.687 . . . . 0.0 112.405 -175.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.7 t -77.67 91.33 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 176.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -79.92 97.83 6.89 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.113 -178.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -80.88 153.51 27.56 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.728 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.14 3.11 35.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.707 -172.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.9 tpt85 -134.37 -88.42 0.38 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 121.218 -0.193 . . . . 0.0 110.844 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 65.4 p 178.21 166.29 0.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 122.783 0.433 . . . . 0.0 109.907 -177.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -83.22 0.92 43.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.166 0.508 . . . . 0.0 110.255 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -74.9 -18.4 60.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.094 -177.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -77.15 -50.73 12.33 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.088 -177.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -92.63 -174.44 3.65 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.932 -178.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 36.3 t -68.1 -45.27 83.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-O 121.1 0.476 . . . . 0.0 110.217 178.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.2 t 65.54 82.65 0.2 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.796 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -95.61 19.46 0.6 Allowed 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 123.32 2.68 . . . . 0.0 111.723 176.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 71.28 -45.84 0.63 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.781 0.832 . . . . 0.0 111.992 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.55 -66.58 3.86 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.68 ' HB ' ' HG2' ' A' ' 37' ' ' ARG . 28.3 m -157.03 129.17 7.29 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 175.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.3 m -55.91 -57.97 9.86 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.199 0.523 . . . . 0.0 110.597 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 84.9 mtp -123.96 117.15 24.11 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 173.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.68 ' HG2' ' HB ' ' A' ' 34' ' ' THR . 75.9 mtm-85 -91.53 147.7 22.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.115 0.483 . . . . 0.0 110.798 -174.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.51 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 16.7 m-85 -115.24 101.81 9.29 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 173.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -103.37 123.38 46.72 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.165 -176.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.47 137.01 53.47 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.259 0.552 . . . . 0.0 111.474 -169.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.42 ' HA ' ' HA ' ' A' ' 52' ' ' THR . 15.7 m -95.56 132.72 40.38 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.979 177.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -102.76 132.63 48.79 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.242 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.488 ' HB2' ' OG ' ' A' ' 12' ' ' SER . 55.0 tttp -95.32 111.63 55.82 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.957 -176.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.69 124.69 11.79 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.81 2.34 . . . . 0.0 112.066 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.3 mt -78.71 -12.02 60.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.054 0.454 . . . . 0.0 110.738 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -125.03 96.92 5.04 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 175.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.67 -140.18 15.65 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.708 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -155.39 -161.01 10.29 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.021 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 54.6 tp 64.67 98.54 0.04 OUTLIER 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.437 0.636 . . . . 0.0 111.236 -177.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -68.21 128.44 36.57 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.407 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -90.8 115.25 27.72 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.36 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.42 ' HA ' ' HA ' ' A' ' 41' ' ' SER . 42.8 m -95.41 115.79 27.91 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.875 0.369 . . . . 0.0 110.274 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -113.34 137.6 51.27 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.967 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 51.8 mtt-85 -78.99 129.83 34.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.806 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' A' ' 38' ' ' TYR . 95.4 mt -122.29 141.62 51.33 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.174 0.511 . . . . 0.0 110.71 -178.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -80.95 171.8 14.54 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.3 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.438 ' O ' ' HD2' ' A' ' 61' ' ' HIS . . . -54.75 -60.96 2.65 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -174.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -60.53 -23.06 64.28 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -177.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -72.65 -48.2 41.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.736 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.532 ' CZ ' ' HD3' ' A' ' 14' ' ' LYS . 88.6 t80 -64.19 -25.7 68.19 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.094 -179.264 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.438 ' HD2' ' O ' ' A' ' 57' ' ' ALA . 7.4 m-70 -53.42 -30.33 39.79 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.582 0.229 . . . . 0.0 111.441 177.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.82 3.56 52.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 0.0 111.406 -178.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -106.62 135.64 47.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.456 ' HB ' ' HB2' ' A' ' 67' ' ' ASP . 22.1 m -123.26 121.74 36.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.138 178.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.6 t -67.62 125.32 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.931 0.396 . . . . 0.0 110.683 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.16 -19.63 53.73 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.839 -0.618 . . . . 0.0 112.07 -176.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.456 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 19.8 t70 -75.81 98.76 4.24 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 122.636 -0.332 . . . . 0.0 110.279 -176.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.512 ' HG2' HG22 ' A' ' 10' ' ' VAL . 92.2 mt-30 -54.77 127.19 27.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.343 171.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.48 176.06 38.02 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.702 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.539 ' HA ' ' HA ' ' A' ' 8' ' ' GLN . 12.6 m -89.28 144.37 26.14 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.894 0.378 . . . . 0.0 110.547 -175.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.482 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 45.3 tp -117.33 118.99 33.78 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -178.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.524 ' HB3' HD11 ' A' ' 4' ' ' LEU . 50.3 m -101.55 108.33 19.87 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.813 178.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -133.02 157.85 44.2 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.589 -178.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 3' ' ' PRO . 99.3 mttt -124.54 110.07 14.01 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.07 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.36 -114.47 6.53 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.312 -174.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 25.2 p -109.05 8.06 26.01 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.973 0.416 . . . . 0.0 111.191 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -107.75 124.34 49.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.135 0.493 . . . . 0.0 111.54 -174.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -65.73 124.21 21.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.32 175.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.407 HG21 ' HG3' ' A' ' 74' ' ' LYS . 59.1 t -99.71 -62.51 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.18 177.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -160.56 154.01 24.98 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.512 -0.852 . . . . 0.0 112.699 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -102.42 111.98 24.51 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 177.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 50.8 t -103.8 103.83 15.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.173 0.511 . . . . 0.0 110.73 -175.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 p -77.28 114.42 16.08 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.884 175.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -85.12 -0.59 55.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.929 0.395 . . . . 0.0 110.828 -176.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 36.1 m -69.07 116.8 45.55 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.609 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -77.4 152.84 30.62 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.804 2.336 . . . . 0.0 112.721 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -61.06 -37.58 83.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.503 0.668 . . . . 0.0 109.895 176.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -116.07 100.21 7.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.693 175.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -71.15 -14.88 62.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.088 0.471 . . . . 0.0 110.007 176.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.9 mt -66.64 -23.22 66.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.018 174.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -76.22 92.13 3.25 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 172.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -75.53 105.62 6.66 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.876 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -70.4 131.05 43.5 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.374 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -68.98 -41.57 77.71 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.398 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -87.03 103.87 15.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.737 177.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -106.65 82.87 1.77 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.117 178.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 . . . . . 0 C--O 1.246 0.876 0 CA-C-O 118.303 -0.856 . . . . 0.0 109.167 179.835 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.5 mtm . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.76 110.71 34.56 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 174.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -73.63 162.05 40.65 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.472 2.115 . . . . 0.0 112.053 -177.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.549 ' HA ' ' HA ' ' A' ' 74' ' ' LYS . 1.7 pt? -87.37 132.03 34.09 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -82.33 115.87 21.57 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 178.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.487 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 40.8 mt-30 -101.57 109.08 20.82 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 174.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -134.45 137.69 44.17 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.078 -174.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.469 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 78.1 mt-30 -76.35 107.58 8.71 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 173.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 22.8 m -115.22 165.67 10.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.417 -174.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.507 HG22 ' HG2' ' A' ' 68' ' ' GLN . 23.0 t -101.7 119.13 49.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.811 175.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.485 HG22 HD11 ' A' ' 63' ' ' LEU . 38.4 t -66.29 101.23 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 171.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.6 t -87.54 -63.51 1.29 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.191 -167.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -149.59 161.56 41.93 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -173.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.612 ' HD2' ' HD1' ' A' ' 38' ' ' TYR . 7.0 ttpm? -96.4 138.58 33.78 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.066 0.46 . . . . 0.0 110.028 177.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.428 ' HA ' ' NE ' ' A' ' 15' ' ' ARG . 2.3 mmp_? -122.25 103.16 8.57 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.825 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.553 ' O ' ' HD3' ' A' ' 18' ' ' PRO . 49.8 mt-10 -88.68 100.24 12.96 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 178.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -92.08 108.35 29.75 Favored Pre-proline 0 C--N 1.324 -0.507 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.187 173.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.553 ' HD3' ' O ' ' A' ' 16' ' ' GLU . 2.0 Cg_endo -82.76 105.23 1.36 Allowed 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 122.611 2.207 . . . . 0.0 109.562 168.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.46 ' HB ' ' NH2' ' A' ' 37' ' ' ARG . 48.2 t -105.56 99.56 8.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.132 0.491 . . . . 0.0 111.626 -171.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -84.98 120.19 26.24 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 170.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.56 -21.51 66.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.378 0.609 . . . . 0.0 110.586 -177.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.6 mtt-85 -119.71 -161.54 0.87 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 175.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 64.2 mtt-85 -88.02 169.18 12.2 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 171.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.3 m -72.44 94.88 1.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 172.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -68.09 135.49 52.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.927 -173.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -77.83 -11.21 59.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.865 -172.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -69.25 -56.2 8.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.17 0.509 . . . . 0.0 110.215 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -102.99 110.63 22.61 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.978 -178.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.494 ' O ' ' HD3' ' A' ' 31' ' ' PRO . 19.5 t -105.14 74.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.324 0.583 . . . . 0.0 109.804 -175.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.9 m -103.78 96.47 9.15 Favored Pre-proline 0 C--N 1.317 -0.806 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.638 176.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.494 ' HD3' ' O ' ' A' ' 29' ' ' VAL . 13.3 Cg_exo -70.51 -15.67 34.3 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.068 2.512 . . . . 0.0 112.189 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.22 7.06 47.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.67 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.34 76.47 1.28 Allowed Glycine 0 N--CA 1.45 -0.413 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 174.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.4 p -79.0 143.09 36.03 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.553 0.692 . . . . 0.0 112.265 -172.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.7 t -125.58 23.29 7.46 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 176.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 46.3 mtm -66.22 99.22 0.51 Allowed 'General case' 0 C--O 1.235 0.336 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.158 -175.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.46 ' NH2' ' HB ' ' A' ' 19' ' ' VAL . 69.1 mtm-85 -105.92 120.4 41.64 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 172.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.612 ' HD1' ' HD2' ' A' ' 14' ' ' LYS . 77.2 m-85 -77.66 106.45 9.47 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.006 -173.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.79 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 42.5 mt-10 -103.26 154.51 19.27 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.69 142.31 47.79 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.571 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.541 ' HB3' ' HB3' ' A' ' 50' ' ' GLU . 24.7 m -94.0 119.98 33.62 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.764 175.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -102.75 112.68 25.58 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.196 0.522 . . . . 0.0 109.738 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 87.3 tttt -95.19 115.28 65.27 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.258 -175.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 18.3 Cg_exo -66.66 136.07 41.03 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.882 2.388 . . . . 0.0 112.255 -178.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.3 mt -66.72 -13.48 61.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.453 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -92.87 20.19 6.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.913 0.387 . . . . 0.0 110.656 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.23 87.59 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.367 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -150.65 177.49 28.67 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.225 -177.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.429 HD11 ' N ' ' A' ' 49' ' ' LEU . 6.1 mp -71.62 141.19 49.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.854 0.359 . . . . 0.0 110.573 -178.082 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.541 ' HB3' ' HB3' ' A' ' 41' ' ' SER . 41.3 mt-10 -72.36 115.57 11.77 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.409 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -82.3 139.85 33.92 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.443 HG22 ' HB3' ' A' ' 39' ' ' GLU . 8.9 m -113.33 113.99 26.02 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.539 -175.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -116.19 140.94 48.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.897 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.79 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 78.2 mtt85 -73.76 140.92 46.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.333 -178.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.2 mt -141.72 166.07 25.75 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.227 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -102.38 167.05 10.21 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.664 174.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.16 -40.39 73.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.868 0.366 . . . . 0.0 111.199 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -61.41 -49.34 77.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.709 177.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -65.25 -37.93 88.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.018 -179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.595 ' CZ ' ' HD3' ' A' ' 14' ' ' LYS . 70.5 t80 -66.36 -32.44 73.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.713 -178.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -95.15 -6.83 40.9 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.39 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.36 -8.0 57.12 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 167.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.485 HD11 HG22 ' A' ' 11' ' ' VAL . 55.6 tp -109.9 149.36 30.0 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 114.11 -1.405 . . . . 0.0 108.998 177.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.514 ' HB ' ' HB2' ' A' ' 67' ' ' ASP . 20.2 m -123.44 126.91 47.63 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.333 178.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 51.6 t -65.83 116.58 5.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.27 -15.31 30.38 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.473 -174.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.514 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 27.6 t0 -75.51 93.04 2.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.467 0.651 . . . . 0.0 109.888 178.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.507 ' HG2' HG22 ' A' ' 10' ' ' VAL . 81.7 mt-30 -76.98 119.41 20.67 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.072 178.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.469 ' O ' ' HA ' ' A' ' 8' ' ' GLN . . . -161.42 -171.36 27.35 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.032 -177.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.469 ' HB ' ' HB ' ' A' ' 82' ' ' VAL . 25.1 m -75.58 129.8 37.79 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.095 0.474 . . . . 0.0 111.339 -175.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.487 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 53.6 tp -117.28 127.33 53.97 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 174.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.443 ' O ' ' HB ' ' A' ' 79' ' ' VAL . 22.3 m -117.59 117.9 30.68 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.204 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.407 ' HA ' HG23 ' A' ' 79' ' ' VAL . 25.9 p90 -144.07 135.28 25.56 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.186 0.517 . . . . 0.0 110.259 179.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 4' ' ' LEU . 56.7 tttm -102.52 107.46 18.43 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.765 -174.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.75 -114.51 4.41 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.231 -0.985 . . . . 0.0 110.914 -174.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.7 m -117.08 15.79 15.03 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.47 0.653 . . . . 0.0 109.747 175.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 -105.74 125.8 51.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.625 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -68.78 123.53 21.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.588 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.443 ' HB ' ' O ' ' A' ' 72' ' ' SER . 97.8 t -96.27 -59.1 3.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.8 0.333 . . . . 0.0 110.131 177.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -177.13 159.54 25.93 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.553 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -110.7 131.8 54.74 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.469 ' HB ' ' HB ' ' A' ' 70' ' ' THR . 42.7 t -118.22 98.01 6.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.407 -177.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.9 m -72.65 173.67 8.67 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.685 177.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -55.99 -48.14 76.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.271 0.558 . . . . 0.0 110.069 175.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 60.7 m -144.89 101.67 4.54 Favored Pre-proline 0 C--N 1.318 -0.763 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.662 173.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -77.91 -172.95 1.63 Allowed 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.872 2.382 . . . . 0.0 112.979 -176.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -79.85 158.14 26.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.689 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -86.18 -5.88 59.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.172 -176.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 74.48 -50.95 0.68 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.902 0.881 . . . . 0.0 111.672 177.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -82.26 112.49 19.31 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 177.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -61.72 105.54 0.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.566 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -82.2 103.07 11.53 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 172.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -64.79 -11.51 37.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.331 -168.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -67.5 -20.74 65.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.973 0.416 . . . . 0.0 110.173 174.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -121.82 126.82 49.67 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 174.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -100.9 126.13 47.5 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.081 0.467 . . . . 0.0 111.147 -174.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.445 -0.788 . . . . 0.0 109.515 174.254 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.3 ttp . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.48 135.26 21.96 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.79 -178.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -58.98 -34.42 99.14 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.872 2.382 . . . . 0.0 111.433 173.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.495 HD12 HG21 ' A' ' 79' ' ' VAL . 28.6 tp -68.67 123.1 19.97 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 172.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -80.41 112.15 17.48 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.313 0.578 . . . . 0.0 110.208 -175.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.545 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 97.0 mt-30 -112.35 109.99 19.94 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.335 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.5 ' HD3' ' N ' ' A' ' 8' ' ' GLN . 6.4 tmtm? -126.73 133.82 50.8 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -178.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.5 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 90.8 mt-30 -79.33 123.25 27.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.126 0.488 . . . . 0.0 110.541 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.488 HG13 ' HA ' ' A' ' 44' ' ' PRO . 15.4 m -133.91 171.04 18.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.166 -176.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.515 HG21 ' HG2' ' A' ' 68' ' ' GLN . 3.1 t -103.65 137.39 32.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.583 176.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.5 t -87.98 100.3 10.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 173.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.3 m -73.85 -61.71 1.75 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.669 -174.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -165.54 174.13 10.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.432 -176.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -93.98 160.74 14.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.269 176.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -151.87 143.32 23.45 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.18 174.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -110.77 123.15 49.51 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 173.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.439 ' HB2' ' NH2' ' A' ' 37' ' ' ARG . 43.5 mttp -89.71 126.83 56.52 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 173.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 31.3 Cg_exo -59.04 115.22 2.41 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.68 2.254 . . . . 0.0 111.231 176.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.1 t -83.32 92.88 2.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.549 -176.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -67.87 -23.2 65.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.537 0.684 . . . . 0.0 109.533 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -70.34 -22.52 62.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.774 177.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -90.14 -51.32 5.51 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -123.68 112.33 17.25 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 176.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.3 m -97.0 -23.9 16.06 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.099 -170.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.6 ttm-85 -82.72 112.19 19.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.062 0.458 . . . . 0.0 110.189 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -90.82 1.39 56.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.226 -177.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -89.03 11.15 19.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.903 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -98.49 155.11 17.42 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.232 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.2 t -71.8 -53.91 18.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.061 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 m 59.05 89.82 0.1 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.703 179.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.85 31.78 0.41 Allowed 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 122.904 2.403 . . . . 0.0 112.585 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -156.4 93.8 1.43 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.702 -178.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.46 22.05 29.18 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.795 -176.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.7 t -137.46 167.89 20.74 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.023 0.44 . . . . 0.0 109.974 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.8 m -146.41 169.92 17.9 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 85.2 mtp -77.75 3.38 14.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.804 0.335 . . . . 0.0 111.376 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.439 ' NH2' ' HB2' ' A' ' 17' ' ' LYS . 3.3 tmm_? -92.19 94.5 9.23 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 176.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -105.27 124.68 49.95 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.226 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.804 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 41.8 mt-10 -105.68 163.9 12.33 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.489 ' O ' ' HA ' ' A' ' 52' ' ' THR . . . -123.91 143.62 50.27 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.657 0.265 . . . . 0.0 111.099 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.5 m -94.65 119.54 33.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.159 177.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -102.98 117.33 34.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.381 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.433 ' HB3' ' HB ' ' A' ' 10' ' ' VAL . 87.0 tttt -95.38 118.79 66.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.684 -175.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.488 ' HA ' HG13 ' A' ' 9' ' ' VAL . 21.3 Cg_exo -66.1 129.31 21.47 Favored 'Trans proline' 0 CA--C 1.53 0.285 0 C-N-CA 122.972 2.448 . . . . 0.0 112.506 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.13 -31.67 72.87 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.339 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -95.59 18.61 12.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.439 0.638 . . . . 0.0 110.47 -177.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.68 149.67 15.05 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.037 -177.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.32 179.96 25.62 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.3 mt -83.13 134.87 34.97 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.934 0.397 . . . . 0.0 110.396 177.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -68.32 114.54 6.87 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.762 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -82.49 128.92 34.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.226 -178.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.489 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 28.3 m -103.84 104.03 13.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.737 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -100.02 144.77 28.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.804 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 0.9 OUTLIER -74.42 134.77 42.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.029 -177.378 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.8 mt -132.54 179.73 5.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.267 178.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -119.27 178.83 4.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.092 173.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.61 -51.17 69.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.488 -177.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -69.0 -26.79 65.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.246 -179.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.406 ' O ' HD22 ' A' ' 63' ' ' LEU . 23.8 tp60 -73.09 -45.27 58.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.079 178.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -66.93 -22.93 65.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.1 0.476 . . . . 0.0 110.148 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -65.78 -19.86 66.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.532 176.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -102.91 -0.65 30.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.031 0.443 . . . . 0.0 110.755 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.406 HD22 ' O ' ' A' ' 59' ' ' GLN . 2.9 mm? -88.69 107.27 18.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.568 -179.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.8 m -86.2 100.48 12.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.109 0.48 . . . . 0.0 110.515 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.96 135.96 25.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.283 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.45 -32.13 4.58 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.299 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -78.83 97.26 5.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.282 0.563 . . . . 0.0 110.673 -174.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.515 ' HG2' HG21 ' A' ' 10' ' ' VAL . 60.7 mt-30 -47.68 131.89 14.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.554 -1.203 . . . . 0.0 110.433 173.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 1.079 ' HA3' ' HA ' ' A' ' 83' ' ' SER . . . -161.42 -172.93 29.43 Favored Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 120.23 -0.986 . . . . 0.0 112.599 -177.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.3 m -91.11 134.28 34.66 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.977 0.418 . . . . 0.0 111.297 -173.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.545 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 60.3 tp -117.38 122.14 43.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.871 179.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.464 ' HB3' HD23 ' A' ' 4' ' ' LEU . 21.0 m -107.79 112.59 25.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.455 -179.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -142.16 164.66 29.57 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.644 177.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -134.82 98.57 4.07 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.49 -114.28 4.08 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.282 -175.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.3 p -104.6 0.16 28.29 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.909 0.385 . . . . 0.0 111.096 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 77' ' ' ARG . 32.2 ttt180 -92.71 118.54 31.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.244 -177.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -72.44 123.69 23.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.597 173.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.495 HG21 HD12 ' A' ' 4' ' ' LEU . 61.6 t -101.67 -50.62 9.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.643 0.259 . . . . 0.0 110.536 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -178.17 147.79 8.18 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.397 178.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -121.09 127.4 51.61 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 177.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 66.9 t -135.13 102.02 3.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.605 -0.516 . . . . 0.0 109.605 178.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 1.079 ' HA ' ' HA3' ' A' ' 69' ' ' GLY . 20.3 m -54.34 -70.42 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.289 0.566 . . . . 0.0 109.906 177.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 29.1 ttm-85 -162.21 16.81 0.09 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.629 175.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.432 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 1.5 p -94.48 131.08 31.78 Favored Pre-proline 0 N--CA 1.448 -0.529 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.989 -172.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 85' ' ' THR . 13.3 Cg_exo -70.06 125.46 12.01 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.909 2.406 . . . . 0.0 112.016 176.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -86.86 1.98 50.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.145 0.498 . . . . 0.0 110.915 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -75.11 -11.91 60.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.062 -176.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -91.83 10.13 29.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.17 -178.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 92.5 mt -93.2 131.49 38.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.208 178.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -83.53 112.12 19.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.119 0.485 . . . . 0.0 111.861 -177.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -98.86 93.52 6.09 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 171.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -71.01 107.82 4.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.163 0.506 . . . . 0.0 110.745 -176.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -79.15 -24.3 43.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.563 -175.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -114.73 105.29 12.87 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.549 ' HD2' ' HD2' ' A' ' 97' ' ' HIS . 9.9 t60 -67.25 -49.02 65.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.609 -174.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.549 ' HD2' ' HD2' ' A' ' 96' ' ' HIS . 18.3 m-70 . . . . . 0 C--O 1.243 0.732 0 CA-C-O 118.624 -0.703 . . . . 0.0 109.496 177.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.6 mtt . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 120.668 0.27 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.452 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . -82.31 -48.26 0.9 Allowed Pre-proline 0 CA--C 1.538 0.486 0 N-CA-C 113.499 0.925 . . . . 0.0 113.499 -174.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.452 ' HD3' ' HB3' ' A' ' 2' ' ' ALA . 76.9 Cg_exo -51.09 -40.0 60.09 Favored 'Trans proline' 0 C--N 1.361 1.227 0 C-N-CA 122.355 2.037 . . . . 0.0 112.587 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.464 HD21 ' HB2' ' A' ' 72' ' ' SER . 37.0 tp -80.91 105.04 11.83 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 174.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -80.16 113.81 18.6 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.118 0.485 . . . . 0.0 109.986 -176.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -100.62 123.92 45.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 -178.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.745 ' HZ3' ' HB2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -130.17 134.42 47.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.789 178.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 33.3 tt0 -80.61 113.45 18.81 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.534 HG13 ' HA ' ' A' ' 44' ' ' PRO . 33.8 m -122.18 165.49 17.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.384 -174.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.518 HG21 ' HG2' ' A' ' 68' ' ' GLN . 39.2 t -107.68 119.7 57.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.942 175.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.423 HG11 HG22 ' A' ' 65' ' ' VAL . 31.6 t -76.23 96.42 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 172.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.3 m -66.13 -53.01 43.03 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.35 -175.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -166.85 176.98 6.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.185 0.517 . . . . 0.0 111.437 -175.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.78 ' HB3' ' HZ2' ' A' ' 14' ' ' LYS . 5.2 ttpm? -100.89 111.28 23.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.666 175.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.564 ' HB2' HG23 ' A' ' 52' ' ' THR . 66.3 mtt180 -104.14 142.27 34.79 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.012 0.434 . . . . 0.0 110.342 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -120.64 110.56 16.56 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.896 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.414 ' HG3' ' OE1' ' A' ' 39' ' ' GLU . 34.0 mttp -90.2 123.35 66.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.245 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.431 ' HB2' ' OD1' ' A' ' 20' ' ' ASN . 36.2 Cg_endo -66.81 128.26 18.56 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.05 1.833 . . . . 0.0 110.554 173.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.471 HG13 ' HB3' ' A' ' 21' ' ' ASP . 21.7 t -74.73 -51.69 21.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.386 -175.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.431 ' OD1' ' HB2' ' A' ' 18' ' ' PRO . 19.6 m120 54.41 34.32 20.58 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.554 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.471 ' HB3' HG13 ' A' ' 19' ' ' VAL . 9.4 p-10 -80.76 168.77 18.43 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -179.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 -68.91 -50.19 51.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.608 -172.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -120.67 84.12 2.17 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.806 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.5 m -67.54 113.67 5.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.95 176.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.7 mtp85 -82.04 141.67 33.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.209 -177.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -84.6 136.11 33.91 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.358 -173.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -74.61 -38.87 62.47 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 173.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -101.12 149.73 23.66 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.108 175.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.1 t -72.6 -27.18 25.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.041 0.448 . . . . 0.0 110.81 -176.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.492 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 14.9 m -61.75 139.04 95.45 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.718 178.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.492 ' HD3' ' HA ' ' A' ' 30' ' ' SER . 12.2 Cg_exo -71.27 56.96 2.15 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.696 2.931 . . . . 0.0 113.414 -175.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -160.22 14.84 0.13 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.326 174.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.05 96.73 1.93 Allowed Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.802 -0.713 . . . . 0.0 113.399 -171.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.3 t -103.72 135.66 44.87 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 172.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.4 t -94.17 89.77 6.11 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.065 0.459 . . . . 0.0 110.292 -176.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 68.1 mtm -77.85 87.85 4.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.359 0.599 . . . . 0.0 109.634 176.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.83 ' HD3' ' HD2' ' A' ' 54' ' ' ARG . 94.8 mtt180 -90.21 128.22 36.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.512 -176.045 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.425 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 48.9 m-85 -91.97 128.18 37.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.334 -177.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.828 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 46.7 mt-10 -111.78 159.38 18.34 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.603 ' O ' ' HA ' ' A' ' 52' ' ' THR . . . -120.34 138.89 53.47 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.643 0.258 . . . . 0.0 110.991 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.2 m -94.3 113.65 25.59 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.733 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -102.84 108.65 19.95 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.863 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.602 ' HB2' ' HG2' ' A' ' 50' ' ' GLU . 88.7 tttt -95.29 109.81 47.05 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.672 178.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.534 ' HA ' HG13 ' A' ' 9' ' ' VAL . 59.1 Cg_endo -73.53 139.73 28.85 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.414 2.076 . . . . 0.0 112.113 -178.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.3 mt -71.37 -30.31 65.99 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.37 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -142.72 82.97 1.79 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.786 173.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -162.59 -44.09 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.233 -0.984 . . . . 0.0 113.012 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.38 -140.58 8.22 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.329 -177.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.7 tp -78.33 164.14 25.1 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.091 0.472 . . . . 0.0 111.542 -174.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.602 ' HG2' ' HB2' ' A' ' 43' ' ' LYS . 34.0 mt-10 -63.46 120.39 11.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.315 177.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -100.39 111.36 23.62 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.902 0.382 . . . . 0.0 110.411 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.603 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 27.2 m -92.88 106.36 18.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.751 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -104.64 152.51 22.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.787 -178.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.83 ' HD2' ' HD3' ' A' ' 37' ' ' ARG . 69.2 ttp85 -75.86 134.25 40.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.742 -175.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 76.6 mt -125.36 169.04 12.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.67 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -86.34 170.0 12.43 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 171.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.86 -36.56 72.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.45 0.643 . . . . 0.0 109.324 175.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -71.96 -35.71 69.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.435 177.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -69.07 -33.03 72.91 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.388 176.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.501 ' CZ ' ' HD3' ' A' ' 14' ' ' LYS . 43.5 t80 -63.54 -35.46 80.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.165 175.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -65.63 -23.66 66.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.35 175.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -99.65 12.27 37.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.11 0.481 . . . . 0.0 110.952 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.0 tp -102.98 146.58 28.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.105 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.485 ' HB ' ' HB3' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -123.21 98.28 5.8 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.925 0.393 . . . . 0.0 111.172 179.787 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.423 HG22 HG11 ' A' ' 11' ' ' VAL . 27.3 t -68.9 128.9 33.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.948 0.404 . . . . 0.0 110.845 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.94 -20.87 42.86 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.115 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.485 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 27.5 t70 -81.79 90.96 6.42 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -178.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.518 ' HG2' HG21 ' A' ' 10' ' ' VAL . 72.2 mt-30 -55.78 124.11 16.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.859 177.076 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 8' ' ' GLN . . . -161.28 -170.86 26.52 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.291 -0.957 . . . . 0.0 112.395 -174.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.5 m -91.13 134.91 34.15 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.248 0.547 . . . . 0.0 111.559 -171.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.4 tp -117.36 117.86 30.65 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.846 178.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.464 ' HB2' HD21 ' A' ' 4' ' ' LEU . 6.7 p -94.72 112.0 23.76 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.959 176.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.415 ' HE2' ' HB3' ' A' ' 7' ' ' LYS . 39.2 p90 -135.96 151.97 50.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.198 0.523 . . . . 0.0 111.111 -177.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -118.78 93.97 4.29 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 174.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.24 -114.76 3.91 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -172.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 29.7 p -111.37 7.99 21.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.275 0.559 . . . . 0.0 110.335 174.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 77' ' ' ARG . 32.6 ttm180 -88.49 117.97 27.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.935 -179.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -69.43 112.63 6.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.087 -0.961 . . . . 0.0 110.117 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.7 t -91.94 -39.32 11.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.327 0.584 . . . . 0.0 109.673 177.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 174.75 149.64 7.3 Favored Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.88 177.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -108.73 118.21 36.19 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 176.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 41.8 t -101.89 96.21 4.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.792 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.47 ' HB3' ' OD2' ' A' ' 67' ' ' ASP . 11.3 m -64.73 177.32 0.95 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.156 176.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -68.31 -12.81 61.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.209 0.528 . . . . 0.0 110.578 176.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.8 p -83.46 147.1 51.98 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.114 171.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -60.62 149.29 88.0 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 122.914 2.409 . . . . 0.0 113.182 -177.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -68.91 130.03 41.63 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.982 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 58.23 55.93 4.81 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.003 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -66.16 -56.15 12.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.197 176.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.0 mt -77.29 128.23 33.96 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.1 -177.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -90.33 139.95 30.17 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.986 178.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -92.79 168.79 10.95 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 177.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 50.7 t60 -86.59 7.23 27.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.975 0.417 . . . . 0.0 111.485 -171.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -108.31 -64.59 1.2 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.942 0.401 . . . . 0.0 110.127 176.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -88.97 106.65 18.56 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -99.77 150.97 21.78 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.011 0.434 . . . . 0.0 111.242 -176.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 53.8 t60 . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.623 -0.703 . . . . 0.0 109.297 175.575 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.9 mtm . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.13 137.88 68.69 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 175.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -74.2 138.09 24.62 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.06 1.84 . . . . 0.0 112.813 -178.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.512 HD11 ' HB3' ' A' ' 72' ' ' SER . 19.0 tp -83.82 99.75 10.51 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.34 175.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -82.21 112.32 19.12 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -97.95 110.37 22.95 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.161 177.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -129.39 135.07 48.24 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.433 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 72.4 mt-30 -76.01 130.34 38.25 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.172 0.511 . . . . 0.0 110.247 176.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.4 m -126.66 165.45 24.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.645 -178.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.485 HG23 ' HG2' ' A' ' 68' ' ' GLN . 41.0 t -101.54 122.17 53.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.18 177.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.0 t -72.03 96.46 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 172.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.645 ' HB3' ' HB2' ' A' ' 41' ' ' SER . 29.6 t -71.99 -56.25 5.99 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.636 -172.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -171.75 -176.36 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 -177.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -100.21 141.33 33.2 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 174.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -125.01 169.35 12.2 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -146.93 104.85 3.74 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.283 -176.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -112.11 103.51 55.36 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.094 173.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -74.49 105.37 2.04 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 121.939 1.759 . . . . 0.0 109.933 168.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 41.4 t -94.3 119.13 41.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.675 -174.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -71.57 155.52 40.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.764 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -128.15 147.4 50.55 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.946 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -79.93 -5.53 55.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.008 0.433 . . . . 0.0 111.171 -173.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.7 mtt85 -82.7 -17.6 43.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.45 0.643 . . . . 0.0 109.446 173.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.3 m -91.3 161.13 15.17 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.815 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -90.14 164.57 14.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.414 0.626 . . . . 0.0 112.103 -175.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -91.98 -37.69 12.69 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 171.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -86.46 97.67 10.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.942 -1.026 . . . . 0.0 108.706 172.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 65.05 93.31 0.06 Allowed 'General case' 0 C--O 1.234 0.245 0 O-C-N 123.762 0.664 . . . . 0.0 109.811 -172.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.8 t -58.5 -32.99 46.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.136 -174.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.9 m 63.31 94.41 0.05 OUTLIER Pre-proline 0 C--O 1.233 0.189 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.206 -177.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -60.02 99.87 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.132 2.555 . . . . 0.0 112.979 -173.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -98.78 -2.1 38.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.108 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -140.05 57.82 0.6 Allowed Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.137 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.9 m -70.84 -17.29 62.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.067 0.46 . . . . 0.0 111.063 -177.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.9 p -68.99 93.19 0.55 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.305 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 69.7 mtm -75.4 96.7 3.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.728 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.2 mtt85 -81.87 107.55 14.69 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.613 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -65.47 148.31 51.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.657 -175.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.739 ' HG2' ' HG2' ' A' ' 54' ' ' ARG . 45.5 mt-10 -103.57 155.42 18.55 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.084 -178.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.62 139.85 51.54 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.836 174.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.645 ' HB2' ' HB3' ' A' ' 12' ' ' SER . 4.1 m -94.19 115.78 28.1 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.488 -179.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -102.7 106.36 16.98 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.485 ' HG3' ' HG2' ' A' ' 50' ' ' GLU . 46.7 tttp -95.47 115.57 65.58 Favored Pre-proline 0 C--N 1.318 -0.763 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.402 -174.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -63.64 132.29 34.74 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.521 2.147 . . . . 0.0 111.578 178.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 44.3 mt -60.9 -60.22 4.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.503 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -120.84 81.17 1.73 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 174.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.76 -119.43 0.78 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.736 -176.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -150.67 -136.31 2.51 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.379 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.1 tp -49.19 136.15 15.64 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 122.999 0.519 . . . . 0.0 111.75 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.485 ' HG2' ' HG3' ' A' ' 43' ' ' LYS . 27.2 mt-10 -72.21 130.05 39.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.361 -178.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -86.91 117.89 25.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.885 0.374 . . . . 0.0 110.094 -179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.465 HG21 ' HB3' ' A' ' 39' ' ' GLU . 18.2 m -105.55 108.93 20.71 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.475 179.011 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -108.81 144.21 36.98 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.159 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.739 ' HG2' ' HG2' ' A' ' 39' ' ' GLU . 27.0 mtm180 -78.03 140.5 39.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.144 179.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.4 mt -123.31 177.82 5.42 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.08 -176.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.514 ' HB2' ' HG2' ' A' ' 59' ' ' GLN . 80.3 mt-30 -107.52 174.37 5.91 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.193 175.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.34 -48.13 83.09 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.96 0.409 . . . . 0.0 110.662 177.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -65.55 -30.86 71.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.032 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.514 ' HG2' ' HB2' ' A' ' 56' ' ' GLN . 80.0 mm-40 -70.24 -44.55 68.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.425 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -71.58 -19.56 62.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.22 0.533 . . . . 0.0 110.32 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -70.05 -21.96 63.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.194 175.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -101.0 -40.22 7.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.543 177.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.24 97.5 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.212 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 44.3 m -88.71 122.99 32.71 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.426 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.35 128.98 22.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.122 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.97 -18.26 57.05 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.141 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -77.88 94.73 4.6 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.323 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.485 ' HG2' HG23 ' A' ' 10' ' ' VAL . 67.5 mt-30 -65.14 128.52 36.14 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.323 174.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.433 ' O ' ' HA ' ' A' ' 8' ' ' GLN . . . -161.29 176.46 37.84 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.163 -1.018 . . . . 0.0 112.684 -175.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.7 m -77.22 133.54 38.86 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.116 0.484 . . . . 0.0 111.681 -172.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.1 tp -117.36 119.26 34.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.004 177.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.512 ' HB3' HD11 ' A' ' 4' ' ' LEU . 27.3 m -98.67 109.42 22.18 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.562 178.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -140.55 155.16 46.69 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.916 0.389 . . . . 0.0 110.691 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -125.38 95.53 4.5 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.643 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.99 -114.22 5.96 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.38 -0.914 . . . . 0.0 111.297 -174.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.7 p -96.08 -6.21 39.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.084 0.469 . . . . 0.0 110.829 176.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -79.94 107.73 12.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.026 -178.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -73.13 114.35 11.2 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 173.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.437 ' HB ' ' O ' ' A' ' 72' ' ' SER . 59.9 t -94.2 -48.79 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.655 -178.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 173.26 148.24 6.27 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.184 -1.008 . . . . 0.0 113.171 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -101.17 129.18 47.04 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 175.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 38.3 t -126.61 114.34 37.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.924 0.392 . . . . 0.0 110.916 -175.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.9 t -82.31 148.1 28.51 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 174.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 87.6 mtt-85 -90.55 4.98 49.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.772 0.32 . . . . 0.0 111.059 -175.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.4 t -132.39 118.93 16.17 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 121.143 0.497 . . . . 0.0 110.572 177.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -86.86 32.2 0.44 Allowed 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 123.071 2.514 . . . . 0.0 112.154 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -103.11 96.33 6.71 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.173 -177.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -82.65 32.91 0.41 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.999 -177.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.48 -24.02 66.35 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 177.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 78.7 mt -61.87 -30.52 70.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.53 175.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.87 -35.06 16.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.691 177.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -67.4 -27.33 66.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.29 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -90.63 81.88 5.83 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 167.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -77.53 106.84 9.56 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.436 -172.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -97.7 154.88 17.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.065 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -78.11 -24.97 47.3 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 170.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 . . . . . 0 C--O 1.245 0.822 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.117 178.194 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.9 mtm . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 120.77 0.319 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.78 164.5 35.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.999 -177.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.44 -31.33 77.41 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.765 2.31 . . . . 0.0 112.474 176.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.3 tp -77.39 104.74 8.09 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 170.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -80.27 112.3 17.47 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.002 -175.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.682 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 89.7 mt-30 -105.78 120.27 41.27 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.372 174.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -139.92 158.42 44.1 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.115 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.478 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 87.9 mt-30 -88.12 112.55 22.81 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 173.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 m -121.29 176.01 4.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.461 -175.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.3 t -114.04 129.95 69.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.094 178.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.6 t -84.17 98.08 5.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 173.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 m -72.26 -57.64 4.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.041 -173.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -162.34 163.23 28.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.046 -173.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.0 pttt -95.99 158.02 15.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.811 0.339 . . . . 0.0 110.628 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.6 mtt-85 -142.32 170.09 16.36 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 175.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.405 ' HG3' ' HB2' ' A' ' 37' ' ' ARG . 37.9 tt0 -146.87 99.17 3.15 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 169.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 74.6 mmtt -90.06 112.75 54.16 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-O 120.979 0.419 . . . . 0.0 110.313 174.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 17' ' ' LYS . 25.1 Cg_endo -63.36 108.9 0.89 Allowed 'Trans proline' 0 N--CA 1.456 -0.704 0 C-N-CA 122.335 2.024 . . . . 0.0 111.15 177.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.5 t -61.59 -27.69 42.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.623 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 63.44 78.99 0.27 Allowed 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.846 -175.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.7 -38.39 75.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.2 -178.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -119.49 135.68 54.66 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.89 175.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.408 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 1.6 mmp_? -94.71 92.76 7.16 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.551 177.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.6 p -103.39 144.32 31.53 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.586 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 70.0 mtt85 -67.64 -43.46 80.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.172 176.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -94.36 149.31 21.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.943 178.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -133.54 -172.4 2.95 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.059 -175.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -93.51 124.77 37.72 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.645 176.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.537 ' O ' ' HD3' ' A' ' 31' ' ' PRO . 47.7 t -73.03 -40.81 59.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 177.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.9 m -108.46 86.65 3.61 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.317 172.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.537 ' HD3' ' O ' ' A' ' 29' ' ' VAL . 5.5 Cg_exo -80.26 -179.96 5.67 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 123.187 2.591 . . . . 0.0 112.341 -174.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.46 -18.54 63.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.318 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.01 -51.94 2.87 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.186 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.8 m -149.0 143.4 26.08 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 178.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.9 m -92.92 -152.93 0.33 Allowed 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 89.8 mtp -108.82 31.46 5.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.21 0.529 . . . . 0.0 109.877 176.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.405 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 75.6 mtt180 -111.85 132.64 54.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.768 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -136.95 119.39 15.82 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.904 0.383 . . . . 0.0 110.25 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.825 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 35.2 mt-10 -103.48 150.47 23.85 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.01 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.57 137.2 53.4 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.769 0.319 . . . . 0.0 110.395 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.3 m -94.36 114.79 26.89 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.839 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -103.36 112.64 25.63 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.341 0.591 . . . . 0.0 109.807 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -98.65 128.52 32.5 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.383 -175.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -72.46 145.09 41.9 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.088 2.526 . . . . 0.0 111.982 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.9 mt -94.32 -10.46 32.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.95 -178.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -112.37 28.9 8.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.033 0.444 . . . . 0.0 110.706 -175.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.58 133.19 4.92 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.779 -177.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.3 167.88 14.37 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.095 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.5 mt -86.06 150.48 24.42 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 177.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -69.43 125.34 26.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.405 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -93.53 114.21 26.51 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 177.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 25.0 m -99.89 109.55 21.93 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.979 0.419 . . . . 0.0 110.244 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -104.28 135.41 45.8 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.493 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.825 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 0.8 OUTLIER -74.75 131.63 40.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.717 178.888 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.2 mt -121.09 157.92 29.03 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.096 -176.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -83.82 155.74 22.83 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.372 -0.831 . . . . 0.0 108.873 174.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.1 -35.74 67.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.019 0.438 . . . . 0.0 111.443 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -70.62 -19.45 62.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.143 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -89.28 -46.37 8.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.924 178.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -66.25 -18.57 65.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.719 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -61.88 -22.67 65.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.037 177.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -107.65 -2.41 20.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.213 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -78.36 133.68 37.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.1 0.476 . . . . 0.0 110.951 -176.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.412 ' HB ' ' HB2' ' A' ' 67' ' ' ASP . 15.1 m -123.09 116.59 23.72 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.749 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.64 127.52 26.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.972 0.415 . . . . 0.0 110.366 176.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.91 -15.64 62.66 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.262 -177.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.412 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 22.5 t70 -75.65 96.78 3.64 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.148 0.499 . . . . 0.0 110.386 -178.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -64.59 122.18 16.21 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.255 172.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.478 ' O ' ' HA ' ' A' ' 8' ' ' GLN . . . -161.29 -170.8 26.45 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.334 -173.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.9 m -92.42 131.83 37.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.131 0.491 . . . . 0.0 111.592 -171.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.682 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 64.4 tp -117.37 125.67 51.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.164 178.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.5 m -108.67 104.85 14.23 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 176.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -134.24 144.29 48.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.027 0.442 . . . . 0.0 110.145 176.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -110.64 102.07 10.67 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.647 -175.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.45 -114.26 5.06 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.426 -0.892 . . . . 0.0 111.313 -176.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.5 p -109.56 11.13 24.95 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.253 0.549 . . . . 0.0 110.577 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -108.31 111.62 23.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.204 -176.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -62.97 130.79 46.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.394 178.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 88.3 t -106.64 -57.44 4.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -168.88 142.67 7.53 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.395 -0.907 . . . . 0.0 112.802 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -112.74 136.81 51.91 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 176.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 48.7 t -122.3 104.49 14.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.635 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.0 m -57.38 125.79 24.41 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 169.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -54.29 -61.97 1.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.595 0.559 . . . . 0.0 111.99 -165.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 26.6 m 49.01 84.35 0.2 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 123.819 0.7 . . . . 0.0 111.979 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -66.3 157.54 59.57 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 122.332 2.022 . . . . 0.0 111.307 177.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -56.47 -47.18 79.75 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.563 ' ND2' ' HB3' ' A' ' 91' ' ' GLU . 3.1 t30 62.2 33.02 17.05 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.067 168.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -69.71 -28.65 66.0 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.121 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.8 tp -68.02 -32.88 73.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.817 -177.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.563 ' HB3' ' ND2' ' A' ' 88' ' ' ASN . 0.7 OUTLIER -97.39 109.82 22.5 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 176.718 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -82.13 36.89 0.47 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -163.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.506 ' HB2' ' OE2' ' A' ' 91' ' ' GLU . 66.7 m-70 -121.9 -13.37 8.25 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 167.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 76.34 -22.26 0.28 Allowed 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 114.924 -1.034 . . . . 0.0 110.348 -175.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.487 ' H ' ' C ' ' A' ' 93' ' ' HIS . 0.8 OUTLIER -157.88 149.77 21.94 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 123.508 0.723 . . . . 0.0 109.352 172.237 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -69.04 122.61 19.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.787 0.327 . . . . 0.0 111.367 -173.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.227 -0.892 . . . . 0.0 109.179 177.021 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.1 mmm . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 120.718 0.294 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.29 163.26 24.98 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.53 -36.06 93.65 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.347 2.032 . . . . 0.0 111.518 174.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.657 HD13 ' HG ' ' A' ' 72' ' ' SER . 36.2 tp -82.0 122.91 28.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.744 173.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -85.73 112.57 21.18 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.054 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 97.1 mt-30 -106.85 113.36 26.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.643 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -116.53 137.37 52.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.16 176.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.455 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 85.1 mt-30 -89.38 103.15 15.8 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 171.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.8 m -108.56 167.51 3.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.964 -171.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.736 ' HB ' ' HB3' ' A' ' 43' ' ' LYS . 46.4 t -101.66 120.34 51.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.24 178.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 38.9 t -73.33 93.96 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 169.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.3 p -71.09 -45.92 62.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.936 -170.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -178.09 160.3 1.39 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.77 0.319 . . . . 0.0 110.275 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.411 ' HD3' ' OH ' ' A' ' 60' ' ' TYR . 24.0 pttm -70.91 146.82 49.32 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 170.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.492 ' O ' ' HB2' ' A' ' 39' ' ' GLU . 26.8 ttm180 -158.11 155.1 28.58 Favored 'General case' 0 C--N 1.312 -1.06 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.105 -178.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.57 ' O ' ' HD3' ' A' ' 18' ' ' PRO . 29.4 tt0 -142.84 112.37 6.8 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 173.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 28.6 mtpp -95.82 95.4 1.83 Allowed Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 172.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.57 ' HD3' ' O ' ' A' ' 16' ' ' GLU . 10.0 Cg_exo -70.78 105.56 1.68 Allowed 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 122.93 2.42 . . . . 0.0 112.717 -169.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.5 t -70.09 125.33 28.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 170.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -59.79 -29.87 68.51 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.828 0.347 . . . . 0.0 110.693 -177.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -82.02 81.97 7.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.32 0.581 . . . . 0.0 110.775 177.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -131.29 84.26 2.17 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.444 173.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -96.83 121.34 38.58 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.123 0.487 . . . . 0.0 111.244 -176.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.0 t -88.17 101.81 14.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.491 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -85.29 130.76 34.53 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.661 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 60.44 19.34 9.03 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.625 0.578 . . . . 0.0 111.461 178.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 63.55 96.78 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 O-C-N 123.96 0.788 . . . . 0.0 112.135 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -75.13 125.14 28.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.619 174.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.5 t -55.77 -36.8 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.363 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.431 ' C ' ' H ' ' A' ' 32' ' ' ALA . 13.1 m 65.86 87.12 0.12 Allowed Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.431 176.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo -73.89 25.07 0.33 Allowed 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 123.432 2.755 . . . . 0.0 112.703 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.431 ' H ' ' C ' ' A' ' 30' ' ' SER . . . -104.58 5.28 33.69 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.358 0.599 . . . . 0.0 109.867 176.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.74 -46.82 1.11 Allowed Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.801 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.8 t -168.86 -155.84 0.15 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.8 m -57.37 -29.67 64.25 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -177.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 62.4 mtm -77.06 141.71 40.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.792 0.33 . . . . 0.0 110.956 -178.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -105.61 141.13 37.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.985 177.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -106.94 104.15 13.76 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.91 0.386 . . . . 0.0 110.289 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.882 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 32.1 mt-10 -103.66 153.63 20.42 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.52 135.31 54.47 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.037 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.1 t -97.38 122.43 40.41 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.445 -177.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -103.0 124.45 48.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.22 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.736 ' HB3' ' HB ' ' A' ' 10' ' ' VAL . 28.0 tptp -95.02 115.6 65.55 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.039 -176.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -75.33 139.43 23.45 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.623 2.215 . . . . 0.0 111.46 174.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.1 mt -92.41 -12.83 31.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.083 0.468 . . . . 0.0 110.978 -177.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -93.87 25.11 3.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.275 -171.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.75 117.93 0.47 Allowed Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.172 -178.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.33 171.17 17.69 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.493 -0.86 . . . . 0.0 112.376 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.9 mt -85.0 160.12 20.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.729 0.299 . . . . 0.0 110.435 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -65.78 142.86 57.82 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.483 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -100.64 106.76 18.27 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.596 173.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.7 m -93.09 120.72 33.69 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.298 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -113.21 138.15 50.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.809 0.338 . . . . 0.0 111.054 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.882 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 51.4 ttp180 -74.04 127.06 31.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.695 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.4 mt -123.64 161.14 25.65 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.019 0.438 . . . . 0.0 111.056 -178.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -93.96 175.76 6.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.764 173.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.71 -52.8 64.15 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -173.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -66.7 -31.92 72.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.112 -177.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -67.24 -43.89 80.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.95 0.405 . . . . 0.0 109.995 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.411 ' OH ' ' HD3' ' A' ' 14' ' ' LYS . 79.8 t80 -62.91 -28.99 70.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.225 179.044 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 56.3 m170 -60.34 -29.59 68.99 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.727 0.299 . . . . 0.0 111.151 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.3 -29.0 23.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.959 0.409 . . . . 0.0 110.974 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -72.5 105.37 4.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.356 0.598 . . . . 0.0 111.085 -178.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.9 m -98.97 118.81 36.6 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.443 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.89 131.68 28.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.008 0.432 . . . . 0.0 111.179 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.76 -19.32 49.05 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.188 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -80.43 91.55 5.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.232 0.539 . . . . 0.0 109.943 -177.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -64.71 138.13 58.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.035 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.782 ' HA3' ' HA ' ' A' ' 83' ' ' SER . . . -161.43 -177.93 34.94 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.467 -178.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.9 m -90.57 140.14 30.03 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.01 0.433 . . . . 0.0 110.82 -174.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 66.0 tp -117.34 128.25 54.86 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.182 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.657 ' HG ' HD13 ' A' ' 4' ' ' LEU . 45.5 t -99.69 100.65 11.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.561 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -132.33 143.11 49.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.165 0.507 . . . . 0.0 110.649 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -136.72 110.62 8.2 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 176.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.24 -114.89 3.91 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.261 -0.971 . . . . 0.0 110.692 -172.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.5 t -126.02 -5.5 6.77 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.914 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 77' ' ' ARG . 22.0 ttt180 -86.21 131.29 34.27 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.203 0.525 . . . . 0.0 111.149 -178.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -68.84 112.82 5.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.873 175.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.0 t -87.13 -52.65 11.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.171 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -171.98 170.61 43.56 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.853 178.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.468 ' CE2' ' HB2' ' A' ' 83' ' ' SER . 79.4 t80 -137.07 120.61 17.14 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 45.7 t -124.39 93.59 2.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.619 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.782 ' HA ' ' HA3' ' A' ' 69' ' ' GLY . 8.7 t -80.98 -174.66 4.97 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.048 -178.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -74.32 -23.34 59.05 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.0 141.64 89.61 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.971 175.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -75.08 -177.21 3.32 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.708 2.272 . . . . 0.0 111.59 175.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.53 -48.95 76.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.892 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 60.04 28.92 18.52 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.722 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -63.51 -40.62 97.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.74 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.1 mt -74.36 -22.81 59.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.835 178.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 58.17 91.18 0.04 OUTLIER 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.611 -176.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -78.3 95.11 4.94 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 170.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -64.07 -33.84 76.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.042 -176.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -106.7 101.56 11.0 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.57 171.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -70.21 133.71 47.34 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 176.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -71.76 -39.55 69.93 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 167.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 . . . . . 0 C--O 1.243 0.755 0 CA-C-N 114.098 -1.41 . . . . 0.0 109.056 169.294 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.23 103.12 40.61 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 177.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -83.16 -17.48 6.66 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.619 2.213 . . . . 0.0 113.053 -177.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.522 HD22 ' HB3' ' A' ' 72' ' ' SER . 19.0 tp -108.71 121.82 45.84 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -178.04 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -86.58 122.42 30.48 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.506 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 94.9 mt-30 -128.25 126.64 41.3 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.279 -177.057 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -137.29 146.83 45.16 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.31 171.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -80.19 121.76 25.99 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 174.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.497 HG22 ' HB3' ' A' ' 42' ' ' PHE . 16.8 m -125.1 164.83 23.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.798 -177.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.535 HG21 ' HG2' ' A' ' 68' ' ' GLN . 26.3 t -101.86 123.76 55.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.496 177.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.2 t -76.07 85.15 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 170.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.2 m -77.09 -52.25 9.62 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -169.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -148.36 157.09 43.26 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.405 -171.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.541 ' HD3' ' OH ' ' A' ' 60' ' ' TYR . 54.6 pttt -93.29 148.71 21.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.53 176.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.444 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 5.9 mmm180 -134.21 167.63 20.34 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.713 0.292 . . . . 0.0 110.885 -175.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -146.72 105.12 3.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.164 177.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -113.5 96.9 41.82 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 169.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.36 145.08 70.36 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.668 2.245 . . . . 0.0 111.177 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.0 t -84.35 81.46 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 CA-C-O 120.905 0.383 . . . . 0.0 110.707 -177.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -82.37 91.84 6.89 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 173.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -104.29 -60.05 1.64 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.333 -168.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 -135.47 -76.64 0.44 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.155 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -173.18 95.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.602 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.9 m -80.68 128.78 34.02 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -75.32 120.94 21.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.258 0.552 . . . . 0.0 110.77 -175.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -97.74 105.85 18.07 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.948 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -65.38 149.85 49.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.409 -175.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.408 ' O ' ' HB ' ' A' ' 29' ' ' VAL . 49.5 tt0 -78.67 118.52 20.84 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.359 -178.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.446 ' O ' ' HD3' ' A' ' 31' ' ' PRO . 91.2 t 77.21 -44.6 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.621 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.0 t -72.58 108.14 3.97 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 120.857 0.36 . . . . 0.0 111.628 -177.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.446 ' HD3' ' O ' ' A' ' 29' ' ' VAL . 83.9 Cg_endo -104.04 30.72 0.07 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 124.2 3.267 . . . . 0.0 112.462 178.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.07 -5.03 55.15 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -174.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.27 15.55 54.16 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.516 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.1 m -91.25 97.05 10.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.052 0.453 . . . . 0.0 111.251 -178.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.1 t -119.29 99.1 6.49 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 80.0 mtp -78.99 109.36 13.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.248 0.547 . . . . 0.0 111.505 -178.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.1 mtt85 -95.95 107.52 19.8 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.622 175.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -72.98 176.27 5.89 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.529 -177.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.444 ' HB2' ' HB2' ' A' ' 15' ' ' ARG . 53.9 mt-10 -132.34 148.12 52.42 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 174.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.19 128.7 48.76 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.2 m -94.39 121.21 35.69 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.211 0.529 . . . . 0.0 110.347 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.497 ' HB3' HG22 ' A' ' 9' ' ' VAL . 88.9 m-85 -102.6 116.79 33.3 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.398 -0.819 . . . . 0.0 108.973 177.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.483 ' HA ' ' HG3' ' A' ' 50' ' ' GLU . 86.9 tttt -94.86 119.92 65.32 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.117 -171.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 26.7 Cg_exo -62.66 136.33 57.61 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 123.061 2.507 . . . . 0.0 111.485 176.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.7 mt -72.6 -25.42 61.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.675 -176.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -93.57 16.28 14.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.397 0.617 . . . . 0.0 110.522 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.39 158.56 7.14 Favored Glycine 0 C--N 1.317 -0.483 0 CA-C-N 115.266 -0.879 . . . . 0.0 112.632 -177.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.35 -147.29 17.51 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.478 177.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.7 tp -98.34 121.62 40.5 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 174.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.483 ' HG3' ' HA ' ' A' ' 43' ' ' LYS . 2.2 mp0 -59.43 128.5 37.35 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.446 179.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.455 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 57.1 mttp -82.32 102.92 11.53 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.902 -178.16 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.438 HG23 ' HB3' ' A' ' 39' ' ' GLU . 19.0 m -98.97 107.46 19.89 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.416 -178.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.455 ' CE2' ' HB3' ' A' ' 51' ' ' LYS . 92.5 m-85 -105.86 134.24 49.3 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.537 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.425 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 35.7 ttp180 -77.45 126.4 30.85 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.927 177.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.1 mt -123.87 162.99 22.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.17 -172.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -84.91 160.2 20.17 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 175.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.07 -47.29 65.24 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -177.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -63.85 -33.54 75.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.93 0.395 . . . . 0.0 111.441 -178.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -76.22 -37.88 57.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.429 -178.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.541 ' OH ' ' HD3' ' A' ' 14' ' ' LYS . 48.4 t80 -67.51 -22.87 65.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.355 176.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -85.73 -19.63 30.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.647 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.6 -52.46 8.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.89 -177.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.5 pp -90.26 142.37 27.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.984 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.3 m -111.71 143.21 42.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.956 0.407 . . . . 0.0 111.699 -171.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.5 t -62.34 132.74 28.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.575 175.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.15 -9.14 76.98 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.945 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -79.69 93.45 5.54 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.209 0.528 . . . . 0.0 110.526 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.535 ' HG2' HG21 ' A' ' 10' ' ' VAL . 81.1 mt-30 -67.24 117.58 9.45 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.434 173.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.31 179.58 36.64 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.275 -0.964 . . . . 0.0 112.937 -175.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.2 m -79.91 136.13 36.59 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.08 0.467 . . . . 0.0 111.505 -172.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.506 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 60.4 tp -117.33 122.6 44.35 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.522 ' HB3' HD22 ' A' ' 4' ' ' LEU . 14.5 m -103.4 119.57 39.14 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.22 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.477 ' HA ' HG21 ' A' ' 79' ' ' VAL . 39.8 p90 -149.13 162.43 40.0 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.75 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -128.97 101.11 5.92 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.364 176.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.27 -114.03 5.76 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.536 -0.84 . . . . 0.0 111.461 -176.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.2 p -96.16 -7.58 35.44 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.898 0.38 . . . . 0.0 111.356 178.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 38.3 ttt85 -86.67 115.73 24.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.109 0.48 . . . . 0.0 111.883 -173.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -70.24 109.1 4.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.221 -0.899 . . . . 0.0 109.564 173.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.477 HG21 ' HA ' ' A' ' 73' ' ' TYR . 57.6 t -86.96 -45.64 16.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.815 0.341 . . . . 0.0 110.29 -178.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 168.49 148.18 5.64 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.64 177.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -95.54 132.43 40.67 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 48.2 t -116.45 106.28 19.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.4 t -66.46 146.77 54.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.98 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -66.73 -31.44 72.09 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.216 0.532 . . . . 0.0 109.602 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.9 m -98.5 123.15 51.24 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.152 172.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -57.06 151.54 49.71 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.595 2.197 . . . . 0.0 112.343 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -60.08 -20.88 60.33 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.33 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.599 ' O ' ' HB2' ' A' ' 89' ' ' GLU . 88.7 m-20 -126.99 147.46 50.12 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 174.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.599 ' HB2' ' O ' ' A' ' 88' ' ' ASN . 21.7 mt-10 77.97 53.52 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 O-C-N 124.14 0.9 . . . . 0.0 110.119 -170.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.99 91.77 0.89 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.152 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -59.3 -32.7 70.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.08 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -114.65 101.4 9.06 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 174.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -67.21 -36.11 81.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.22 0.533 . . . . 0.0 110.103 -174.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -101.47 114.45 28.48 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 167.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -63.57 -43.5 96.83 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -111.01 112.2 23.85 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.615 175.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 51.7 p-80 . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.14 -179.781 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.439 ' O ' ' HD3' ' A' ' 3' ' ' PRO . 68.4 mtt . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.69 110.98 14.6 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 123.235 0.334 . . . . 0.0 110.512 -178.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.439 ' HD3' ' O ' ' A' ' 1' ' ' MET . 94.0 Cg_endo -88.71 163.04 6.33 Favored 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 122.739 2.293 . . . . 0.0 112.143 -179.241 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.456 HD13 ' HB3' ' A' ' 72' ' ' SER . 1.7 pt? -102.79 146.4 28.31 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 174.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -97.52 128.56 44.37 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 120.774 0.321 . . . . 0.0 110.197 -177.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.471 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 93.4 mt-30 -116.53 109.26 17.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.189 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.7 tttm -134.52 165.04 26.12 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -87.7 116.74 26.04 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.0 m -124.69 164.74 22.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.984 0.421 . . . . 0.0 110.752 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.514 HG21 ' HG2' ' A' ' 68' ' ' GLN . 21.7 t -106.74 122.57 60.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.426 177.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.2 t -74.73 97.51 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 170.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.3 p -78.31 -55.43 5.25 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.459 0.541 . . . . 0.0 112.459 -168.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -157.81 169.07 25.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.128 0.489 . . . . 0.0 111.552 -176.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 39' ' ' GLU . 27.0 ttpp -87.3 147.06 25.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.414 174.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.762 ' HD3' HG23 ' A' ' 52' ' ' THR . 64.6 ttt180 -127.24 161.99 27.26 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -146.8 102.71 3.57 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.866 -175.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.499 ' HG3' ' OE1' ' A' ' 39' ' ' GLU . 60.4 mttp -89.68 129.0 48.38 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.373 176.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 3.0 Cg_exo -77.18 108.66 2.66 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 123.107 2.538 . . . . 0.0 111.02 171.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.5 t -74.33 117.55 18.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.96 0.41 . . . . 0.0 111.033 -177.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -126.16 142.59 51.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.736 177.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.467 ' CG ' ' H ' ' A' ' 22' ' ' ARG . 7.9 t70 -95.31 -166.0 1.39 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.467 ' H ' ' CG ' ' A' ' 21' ' ' ASP . 19.7 mtm105 -114.21 12.69 17.8 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.131 0.491 . . . . 0.0 110.431 -176.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.443 ' HG3' ' OD2' ' A' ' 21' ' ' ASP . 62.2 mtt180 -92.15 155.44 18.03 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.382 -176.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.9 m -73.52 163.8 27.53 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.653 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 25' ' ' ARG . 61.4 mtt180 -64.15 -19.22 65.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.445 -179.173 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -68.41 -26.0 65.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.116 0.484 . . . . 0.0 110.509 176.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -101.38 109.56 21.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.284 -178.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.73 141.82 29.44 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -179.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.7 p -82.19 -35.59 13.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.766 -0.197 . . . . 0.0 110.899 -175.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.2 m 57.63 81.29 0.26 Allowed Pre-proline 0 C--O 1.235 0.331 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.807 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -70.12 129.31 17.0 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 123.006 2.471 . . . . 0.0 111.846 178.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -136.6 83.49 2.01 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.302 0.573 . . . . 0.0 110.071 -178.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.41 67.06 0.8 Allowed Glycine 0 N--CA 1.444 -0.793 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.286 -176.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.6 m -109.74 102.83 11.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.091 0.472 . . . . 0.0 110.778 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.0 m -73.29 135.08 44.38 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.345 176.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 91.8 mmm -62.81 121.14 12.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.079 0.466 . . . . 0.0 110.696 -178.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -94.12 118.42 31.51 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.708 -175.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -110.78 130.05 55.68 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 175.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.574 ' HG2' ' HG2' ' A' ' 54' ' ' ARG . 42.7 mt-10 -103.33 147.47 27.04 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.091 -177.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.56 132.06 56.21 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.3 t -94.75 121.7 36.6 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -102.65 111.71 24.15 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.933 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.446 ' HA ' ' HG2' ' A' ' 50' ' ' GLU . 40.3 tttp -95.18 115.34 65.33 Favored Pre-proline 0 C--N 1.317 -0.835 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.07 -176.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -70.64 141.34 41.41 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.471 2.114 . . . . 0.0 111.745 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.6 mt -72.22 -14.56 61.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.34 0.591 . . . . 0.0 109.805 175.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -93.65 106.88 18.82 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 169.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -38.17 123.4 1.29 Allowed Glycine 0 CA--C 1.518 0.277 0 O-C-N 124.359 1.037 . . . . 0.0 114.275 -175.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.51 -157.79 21.12 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 39.3 mt -88.24 134.34 33.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.159 0.504 . . . . 0.0 111.251 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.446 ' HG2' ' HA ' ' A' ' 43' ' ' LYS . 49.7 mt-10 -69.24 130.42 42.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.735 174.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -97.1 111.74 23.83 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.167 0.508 . . . . 0.0 110.497 -175.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.762 HG23 ' HD3' ' A' ' 15' ' ' ARG . 19.4 m -90.43 120.9 31.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.061 -177.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -113.63 145.37 41.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.252 176.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.574 ' HG2' ' HG2' ' A' ' 39' ' ' GLU . 46.6 mtm105 -87.22 125.09 33.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.129 0.49 . . . . 0.0 111.338 -178.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.6 mt -119.25 161.92 19.58 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.535 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -101.58 179.11 4.44 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 173.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.07 -58.89 5.21 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -176.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -62.64 -29.65 70.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.507 -177.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -77.33 -44.76 28.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.895 -177.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -66.42 -29.32 69.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.173 0.511 . . . . 0.0 110.001 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -66.87 -18.98 65.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.624 176.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -101.39 4.57 41.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.015 0.436 . . . . 0.0 110.773 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -108.8 104.11 13.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.11 0.481 . . . . 0.0 110.487 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 23.5 m -81.03 106.63 13.19 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.94 -178.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 46.4 t -64.21 126.74 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.538 176.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.72 -17.33 57.62 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.811 -176.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -77.92 95.27 4.73 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.325 0.583 . . . . 0.0 110.124 -178.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.514 ' HG2' HG21 ' A' ' 10' ' ' VAL . 53.2 mt-30 -66.51 114.32 5.39 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.198 173.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.22 -170.83 26.4 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 119.957 -1.116 . . . . 0.0 113.038 -171.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.7 m -82.35 129.44 34.87 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.033 0.444 . . . . 0.0 111.464 -170.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.471 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 68.5 tp -117.41 126.25 52.34 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.887 177.224 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.456 ' HB3' HD13 ' A' ' 4' ' ' LEU . 18.3 m -108.74 122.21 46.67 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.71 177.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.9 p90 -148.0 142.11 26.04 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.999 0.428 . . . . 0.0 110.63 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.42 ' HE3' ' HB2' ' A' ' 74' ' ' LYS . 36.6 ttmt -116.23 105.29 12.4 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 -179.16 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.25 -114.33 4.67 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.37 -0.919 . . . . 0.0 110.967 -174.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.5 p -114.28 13.22 17.83 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.071 0.462 . . . . 0.0 110.544 176.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -102.6 126.45 49.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.181 0.515 . . . . 0.0 111.261 -178.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -70.0 117.58 11.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.4 177.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 99.6 t -91.99 -50.6 12.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.238 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 176.01 150.09 7.88 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.169 178.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.471 ' HE2' ' HG ' ' A' ' 83' ' ' SER . 83.0 t80 -117.5 124.21 48.19 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 178.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 44.3 t -100.23 97.19 5.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.095 -178.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.471 ' HG ' ' HE2' ' A' ' 81' ' ' PHE . 49.8 m -70.81 150.17 46.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.321 177.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -59.8 101.48 0.12 Allowed 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.534 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 28.6 m -73.1 112.47 15.68 Favored Pre-proline 0 N--CA 1.44 -0.94 0 CA-C-O 121.265 0.555 . . . . 0.0 110.266 -178.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -87.97 86.43 0.63 Allowed 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 122.613 2.209 . . . . 0.0 112.259 -177.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -65.2 128.21 34.89 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 175.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.44 -22.97 64.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.456 -169.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -97.5 -1.05 44.93 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -175.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 38.5 mt -126.58 115.4 19.45 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.405 0.622 . . . . 0.0 111.586 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -84.01 122.59 28.99 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.878 178.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -86.71 91.6 8.67 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.866 0.365 . . . . 0.0 110.506 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -88.66 145.83 25.43 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -117.42 172.96 6.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.312 0.577 . . . . 0.0 111.03 -177.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -91.46 18.26 7.51 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.771 0.796 . . . . 0.0 109.195 172.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -128.58 -38.6 1.71 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.52 -1.218 . . . . 0.0 108.658 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 81.1 t60 . . . . . 0 C--O 1.252 1.198 0 CA-C-O 118.324 -0.846 . . . . 0.0 109.197 170.135 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 110.508 -0.182 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 60.53 86.78 0.15 Allowed Pre-proline 0 N--CA 1.463 0.18 0 O-C-N 123.63 0.581 . . . . 0.0 111.608 -178.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -70.02 -22.23 31.18 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.657 2.238 . . . . 0.0 112.618 176.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.426 HD23 ' OG ' ' A' ' 72' ' ' SER . 13.3 tp -70.79 114.29 8.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.042 179.231 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -98.86 112.3 24.44 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 178.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.594 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 90.6 mt-30 -102.71 112.2 24.87 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.336 0.589 . . . . 0.0 110.737 -178.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.655 ' HB3' ' HE2' ' A' ' 73' ' ' TYR . 15.8 tppt? -115.01 127.84 55.91 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.335 179.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -76.63 124.88 28.3 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.47 0.653 . . . . 0.0 109.923 176.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.565 HG13 ' HA ' ' A' ' 44' ' ' PRO . 16.1 m -132.13 165.16 32.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.158 -173.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.499 HG23 ' HG2' ' A' ' 68' ' ' GLN . 16.9 t -101.72 126.05 55.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.789 175.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.3 t -73.62 92.25 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.147 -1.056 . . . . 0.0 108.147 169.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.7 p -68.89 -46.88 67.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.938 -169.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -168.21 149.3 5.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.398 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.428 ' HD3' ' CZ ' ' A' ' 60' ' ' TYR . 60.7 pttt -90.83 120.73 32.1 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 173.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.4 mtt-85 -110.28 144.17 39.39 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.68 -173.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.44 ' O ' ' HD3' ' A' ' 18' ' ' PRO . 32.2 tt0 -96.03 94.43 7.57 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 172.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -100.65 107.58 49.48 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-O 121.004 0.43 . . . . 0.0 111.736 -178.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 16' ' ' GLU . 47.6 Cg_endo -89.42 105.45 0.39 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 122.686 2.257 . . . . 0.0 110.694 172.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.484 HG23 HH22 ' A' ' 54' ' ' ARG . 34.0 t -73.2 -73.74 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.272 -175.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 52.27 69.91 0.62 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.659 0.742 . . . . 0.0 110.425 -176.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -66.55 166.96 11.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.181 -177.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.6 ttt-85 -62.11 -22.09 65.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.227 0.536 . . . . 0.0 110.452 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.3 ttm-85 -67.72 -33.46 74.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.385 177.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.5 p -97.45 125.0 41.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.793 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.7 mtm-85 -124.04 179.93 4.66 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.878 -178.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -75.55 4.92 6.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.827 0.346 . . . . 0.0 111.259 -178.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -78.83 -15.85 57.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.327 0.584 . . . . 0.0 109.604 172.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -88.78 135.15 33.67 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.438 173.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.535 ' O ' ' HD3' ' A' ' 31' ' ' PRO . 44.4 t -86.36 -29.65 6.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.121 0.486 . . . . 0.0 110.375 -179.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.8 t -114.69 80.13 6.18 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.274 177.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.535 ' HD3' ' O ' ' A' ' 29' ' ' VAL . 3.9 Cg_exo -82.85 -24.68 3.24 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 123.106 2.538 . . . . 0.0 110.815 176.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -166.6 92.98 0.47 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.88 -1.055 . . . . 0.0 109.987 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.42 -51.86 56.19 Favored Glycine 0 C--N 1.331 0.254 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 174.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.9 m -84.04 97.57 9.37 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 170.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.0 t -63.76 -36.75 84.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.186 0.517 . . . . 0.0 110.294 -176.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 86.3 mtp -94.61 79.51 3.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.645 175.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -72.24 112.69 8.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.261 178.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.44 ' HB2' ' O ' ' A' ' 55' ' ' LEU . 25.0 m-85 -82.64 118.74 23.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.414 -177.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.456 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 21.4 mt-10 -122.3 144.81 48.77 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.209 172.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.48 132.96 56.22 Favored 'General case' 0 C--N 1.316 -0.887 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.391 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.607 ' HB3' ' HB3' ' A' ' 50' ' ' GLU . 48.8 m -94.57 124.22 38.47 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.126 178.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.521 ' HB3' HG22 ' A' ' 9' ' ' VAL . 92.0 m-85 -102.85 112.39 25.18 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.83 178.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -99.51 117.55 63.61 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.372 -175.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.565 ' HA ' HG13 ' A' ' 9' ' ' VAL . 26.5 Cg_exo -62.35 136.22 58.29 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.847 2.364 . . . . 0.0 112.555 -177.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.31 -33.86 76.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.872 -178.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -93.68 18.87 9.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.099 0.476 . . . . 0.0 111.2 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.68 148.29 21.81 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.639 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.415 ' HA3' ' HG2' ' A' ' 44' ' ' PRO . . . 150.08 167.12 14.0 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.982 -0.627 . . . . 0.0 112.079 179.208 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.5 tp -67.12 140.33 57.55 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.599 0.238 . . . . 0.0 110.614 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.607 ' HB3' ' HB3' ' A' ' 41' ' ' SER . 45.0 mt-10 -68.51 113.56 6.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.123 0.487 . . . . 0.0 110.229 176.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 44.8 mttp -83.81 110.75 18.6 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.42 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.456 ' CG2' ' HB3' ' A' ' 39' ' ' GLU . 36.7 m -97.82 119.31 36.19 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.245 -178.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -123.85 159.83 28.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.993 -178.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.484 HH22 HG23 ' A' ' 19' ' ' VAL . 7.8 mmt85 -77.09 126.99 31.87 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.346 -178.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.44 ' O ' ' HB2' ' A' ' 38' ' ' TYR . 40.5 mt -134.82 132.64 38.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.03 0.443 . . . . 0.0 110.971 178.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -86.13 166.44 15.78 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.084 175.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.09 -39.5 82.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.915 0.388 . . . . 0.0 111.109 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -63.34 -35.55 80.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.743 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -77.15 -47.94 19.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.694 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.459 ' HA ' HD21 ' A' ' 63' ' ' LEU . 79.5 t80 -61.75 -23.98 66.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.201 -178.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -55.8 -21.46 19.53 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.41 177.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.55 -6.67 49.15 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -174.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.459 HD21 ' HA ' ' A' ' 60' ' ' TYR . 1.2 pt? -137.71 156.37 48.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.173 0.511 . . . . 0.0 111.515 -178.129 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.7 m -123.25 146.41 47.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.591 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.3 t -63.81 123.59 16.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.881 0.372 . . . . 0.0 110.215 174.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.4 -18.26 56.63 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.824 -176.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -77.1 94.42 4.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.169 0.509 . . . . 0.0 110.218 -177.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.499 ' HG2' HG23 ' A' ' 10' ' ' VAL . 77.1 mt-30 -64.64 131.8 47.96 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.296 176.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.33 -175.26 32.16 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.009 -177.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.541 ' HB ' ' HB ' ' A' ' 82' ' ' VAL . 18.2 m -90.27 141.84 28.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.637 0.256 . . . . 0.0 110.71 -173.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.594 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 58.8 tp -117.37 120.68 38.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.984 0.421 . . . . 0.0 110.92 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.426 ' OG ' HD23 ' A' ' 4' ' ' LEU . 47.5 t -92.11 109.29 20.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.534 177.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.655 ' HE2' ' HB3' ' A' ' 7' ' ' LYS . 41.8 p90 -143.55 166.24 25.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.17 0.51 . . . . 0.0 111.165 -179.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -131.89 88.85 2.61 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 172.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.56 -114.26 3.83 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 -172.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.3 p -105.42 3.08 29.24 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.178 0.513 . . . . 0.0 110.434 174.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.0 mtm180 -77.8 109.72 12.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.782 177.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -76.43 104.63 7.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.394 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.5 t -83.21 -44.22 18.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.106 178.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 169.08 152.96 8.07 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.4 176.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -94.16 133.85 37.23 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 176.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.541 ' HB ' ' HB ' ' A' ' 70' ' ' THR . 25.4 t -105.75 93.54 2.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.109 0.481 . . . . 0.0 110.531 -176.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.3 m -75.58 152.32 37.73 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.496 175.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -68.48 -22.75 64.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.636 0.255 . . . . 0.0 111.155 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.2 t -150.44 103.66 3.1 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 121.465 0.65 . . . . 0.0 110.217 173.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -93.69 -178.64 0.73 Allowed 'Trans proline' 0 N--CA 1.454 -0.815 0 C-N-CA 123.124 2.55 . . . . 0.0 113.451 -178.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -75.93 -14.66 60.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.707 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -54.71 -42.98 72.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.943 -176.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -96.37 7.09 47.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.783 -173.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 86.2 mt -120.42 125.12 47.14 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.86 0.362 . . . . 0.0 110.363 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -83.43 136.79 34.18 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 177.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -63.58 -50.9 67.65 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.649 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.462 ' HD2' ' HB2' ' A' ' 94' ' ' HIS . 5.3 t60 47.31 -94.07 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.718 0 O-C-N 124.248 0.967 . . . . 0.0 112.223 170.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.462 ' HB2' ' HD2' ' A' ' 93' ' ' HIS . 5.8 m170 -157.68 137.85 12.6 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -103.13 113.78 27.53 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.086 0.469 . . . . 0.0 110.43 178.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -69.32 129.01 38.6 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.952 -177.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 45.5 m80 . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.418 -0.801 . . . . 0.0 108.909 173.903 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.4 mmm . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 120.847 0.355 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.37 149.52 6.46 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.752 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -62.77 -21.45 73.04 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.557 2.172 . . . . 0.0 111.507 176.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.42 HD13 HG22 ' A' ' 79' ' ' VAL . 16.3 tp -87.59 103.98 16.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.16 175.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -80.9 120.55 24.87 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -177.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.543 ' HG2' ' HA ' ' A' ' 72' ' ' SER . 93.2 mt-30 -136.86 144.49 43.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.756 -175.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.501 ' HZ2' HD12 ' A' ' 45' ' ' LEU . 51.7 tttm -168.76 164.99 12.02 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 168.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.494 ' N ' ' HG2' ' A' ' 7' ' ' LYS . 59.0 tt0 -76.0 119.45 19.97 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 175.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.1 m -120.83 178.6 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.085 -177.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.7 t -113.03 120.09 62.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.021 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.5 t -76.08 96.59 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 168.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.5 p -85.61 -39.81 16.92 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -164.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -162.95 172.21 15.4 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.915 -174.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.2 pttt -124.81 141.39 52.15 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -143.21 -177.69 5.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.78 0.324 . . . . 0.0 111.315 -177.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -143.96 120.18 10.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.977 178.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.425 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 86.7 mttt -113.09 140.5 24.29 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 175.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 12.8 Cg_exo -69.99 110.11 2.52 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.835 2.357 . . . . 0.0 111.905 178.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.3 t -74.64 120.15 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.611 -179.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -85.01 -54.76 4.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.641 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -68.78 94.35 0.6 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.122 0.487 . . . . 0.0 110.316 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 66.2 mtm-85 -119.06 167.35 11.86 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.732 -177.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -89.81 10.56 23.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.391 178.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' A' ' 25' ' ' ARG . 8.1 t -129.7 36.77 4.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.376 -179.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 24' ' ' SER . 55.6 mtm180 71.92 163.02 0.26 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.557 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -100.87 -42.51 6.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.656 -177.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -77.37 92.95 3.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.261 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -143.21 153.98 43.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.529 176.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.496 ' O ' ' HD3' ' A' ' 31' ' ' PRO . 95.8 t -62.42 -38.21 80.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.876 0.369 . . . . 0.0 110.588 178.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.0 p -89.66 104.92 9.26 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.213 177.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.496 ' HD3' ' O ' ' A' ' 29' ' ' VAL . 60.8 Cg_endo -91.18 2.24 4.6 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 122.909 2.406 . . . . 0.0 112.721 -175.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.412 ' HB2' HH22 ' A' ' 37' ' ' ARG . . . -122.29 -75.57 0.59 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.161 -178.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.62 -174.31 29.22 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.6 -0.81 . . . . 0.0 111.965 -178.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.5 m -57.81 137.6 56.44 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 120.808 0.337 . . . . 0.0 111.479 -177.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.6 m -85.05 61.58 6.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.208 0.528 . . . . 0.0 111.024 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 96.8 mmm -103.91 -1.05 28.26 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.543 0.687 . . . . 0.0 109.226 173.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.687 ' HD2' ' O ' ' A' ' 37' ' ' ARG . 1.2 ppt_? -113.3 92.5 4.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.88 -1.054 . . . . 0.0 110.223 -178.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -95.83 168.36 10.69 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.616 -177.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.637 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 27.7 mt-10 -133.6 149.94 51.61 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.912 0.387 . . . . 0.0 110.191 173.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.65 140.0 50.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.338 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.6 t -94.57 119.25 32.95 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.501 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.406 ' CD1' ' HD2' ' A' ' 53' ' ' PHE . 94.8 m-85 -102.98 114.35 28.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.733 177.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 50.6 tttm -95.29 115.28 65.3 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.894 -177.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 6.4 Cg_exo -73.65 143.11 33.44 Favored 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 122.589 2.193 . . . . 0.0 111.492 178.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.501 HD12 ' HZ2' ' A' ' 7' ' ' LYS . 91.5 mt -74.04 -14.94 61.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.444 0.64 . . . . 0.0 109.496 174.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -82.96 105.85 14.3 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 169.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -42.92 106.84 0.09 OUTLIER Glycine 0 C--N 1.333 0.414 0 O-C-N 124.276 0.985 . . . . 0.0 114.259 -173.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.71 -161.87 18.26 Favored Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.3 tp -85.89 143.14 28.39 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.753 0.311 . . . . 0.0 110.642 -178.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -72.71 140.25 47.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.444 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -102.2 126.44 49.17 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.814 0.34 . . . . 0.0 110.241 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.512 HG21 ' HB3' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -98.29 111.17 23.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.003 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.406 ' HD2' ' CD1' ' A' ' 42' ' ' PHE . 77.6 m-85 -104.98 137.35 42.86 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.832 0.349 . . . . 0.0 110.623 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.637 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 18.3 ttp180 -74.11 127.82 33.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.777 -178.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.8 mt -131.06 139.63 49.93 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.394 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -74.9 166.04 24.29 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 177.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.45 -39.37 67.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.005 0.431 . . . . 0.0 110.902 177.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -66.38 -32.95 74.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.876 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -74.58 -41.19 60.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.89 0.376 . . . . 0.0 110.651 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -67.8 -21.58 65.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.505 0.669 . . . . 0.0 110.232 176.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -78.17 -6.31 54.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.514 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -99.9 -62.71 1.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.809 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 pp -88.17 151.45 22.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.765 0.317 . . . . 0.0 110.439 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.3 m -123.1 149.36 44.58 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.839 -175.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 74.5 t -64.13 130.19 28.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.001 0.429 . . . . 0.0 110.452 177.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.51 -5.41 58.65 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.898 -176.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -73.44 97.23 2.51 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -74.21 109.95 8.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.66 172.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.38 176.65 37.9 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.796 -177.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.45 142.9 44.89 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.007 0.432 . . . . 0.0 111.764 -174.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.518 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 46.6 tp -117.4 121.03 39.96 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.848 178.341 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.543 ' HA ' ' HG2' ' A' ' 6' ' ' GLN . 22.6 t -101.63 116.78 33.51 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.638 -178.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.651 ' HA ' HG23 ' A' ' 79' ' ' VAL . 37.9 p90 -154.74 139.72 17.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.246 0.546 . . . . 0.0 111.908 178.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -104.69 112.86 26.12 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 167.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.46 -116.79 9.48 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.38 -0.914 . . . . 0.0 111.83 -177.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.9 m -118.29 11.4 13.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.378 0.608 . . . . 0.0 110.324 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -67.24 -33.95 76.43 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.005 -175.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 75.4 t80 63.6 100.97 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.466 0.651 . . . . 0.0 110.623 -175.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.651 HG23 ' HA ' ' A' ' 73' ' ' TYR . 42.9 t -86.23 -31.92 6.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.348 0.594 . . . . 0.0 109.878 -179.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 147.12 154.18 6.13 Favored Glycine 0 N--CA 1.442 -0.939 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.331 175.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -87.32 128.8 35.18 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 175.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 45.7 t -111.95 106.48 20.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.871 0.367 . . . . 0.0 110.959 -175.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 p -77.3 62.38 2.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.463 0.649 . . . . 0.0 109.579 173.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 33.3 ttt85 -58.13 107.12 0.44 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.343 -175.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 18.4 m -114.96 104.8 53.81 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.3 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.4 164.19 35.76 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.5 2.133 . . . . 0.0 111.734 177.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.03 134.79 25.95 Favored 'General case' 0 C--O 1.237 0.42 0 O-C-N 123.408 0.443 . . . . 0.0 110.984 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -86.76 66.53 9.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.409 0.623 . . . . 0.0 111.553 -173.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -162.77 25.44 0.1 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.413 1.101 . . . . 0.0 108.05 169.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.47 ' HG ' ' H ' ' A' ' 92' ' ' HIS . 51.6 tp -127.26 134.9 50.0 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.072 -1.422 . . . . 0.0 108.657 -177.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.46 ' OE1' ' HA ' ' A' ' 91' ' ' GLU . 4.8 mm-40 -65.97 -20.07 66.07 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.473 -177.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.47 ' H ' ' HG ' ' A' ' 90' ' ' LEU . 22.7 m170 -68.44 -18.72 64.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.712 174.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -75.94 -26.79 57.2 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 175.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -94.49 11.77 29.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.647 -176.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -119.02 171.99 7.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.578 -178.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -134.52 160.4 38.15 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 . . . . . 0 C--O 1.251 1.147 0 CA-C-O 119.297 -0.383 . . . . 0.0 110.968 -177.286 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.2 mtm . . . . . 0 N--CA 1.479 0.987 0 CA-C-O 121.009 0.433 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.42 147.67 44.96 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.602 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.75 -28.66 87.82 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.584 2.189 . . . . 0.0 111.621 175.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.51 HD21 ' HB3' ' A' ' 72' ' ' SER . 48.8 tp -83.29 117.28 22.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.29 174.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -95.25 112.44 24.15 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.034 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.616 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 98.9 mt-30 -104.24 134.13 48.0 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.106 178.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -142.89 145.86 33.51 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.82 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -78.91 121.17 24.53 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.977 0.418 . . . . 0.0 110.063 177.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.6 m -132.83 174.43 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.652 -177.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.521 HG22 ' HG2' ' A' ' 68' ' ' GLN . 35.0 t -115.51 125.56 72.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.804 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 38.0 t -78.28 100.83 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 172.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.7 m -74.85 -52.5 11.19 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -170.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -161.19 163.69 31.0 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.791 -174.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -105.56 143.69 33.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.502 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -148.67 -174.28 4.57 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.643 177.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -145.35 114.2 6.88 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.354 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.701 ' HZ1' ' HB2' ' A' ' 17' ' ' LYS . 9.6 mtmp? -131.97 105.8 13.86 Favored Pre-proline 0 C--N 1.32 -0.699 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 169.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 17' ' ' LYS . 16.0 Cg_endo -58.7 105.24 0.22 Allowed 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.194 1.93 . . . . 0.0 111.806 -179.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.5 t -81.77 72.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.455 0.645 . . . . 0.0 110.255 -179.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -169.32 83.7 0.13 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.02 177.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -117.28 -26.42 6.74 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.073 -175.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 -76.12 -36.11 58.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.414 -173.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.5 mtp-105 -138.95 118.12 12.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.919 0.39 . . . . 0.0 111.825 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.3 m -69.33 105.32 2.52 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 171.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.4 mtt-85 -70.72 -22.81 62.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.276 -174.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -97.22 -179.7 4.61 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.158 178.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -83.18 -39.72 20.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.779 0.323 . . . . 0.0 111.005 -174.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -85.61 148.93 25.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.927 0.394 . . . . 0.0 111.046 -178.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.8 t -64.65 -39.58 86.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.17 -175.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.0 m 65.2 73.49 0.42 Allowed Pre-proline 0 C--N 1.328 -0.344 0 O-C-N 123.802 0.689 . . . . 0.0 110.738 -178.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -64.19 -16.62 56.03 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.411 2.741 . . . . 0.0 113.404 -175.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.83 -35.13 77.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.942 178.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 61.32 40.02 98.03 Favored Glycine 0 C--N 1.331 0.303 0 CA-C-N 116.078 -0.51 . . . . 0.0 113.057 177.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.6 t -129.86 147.67 51.65 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.013 0.435 . . . . 0.0 110.53 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.6 m -148.78 118.88 7.2 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 177.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 90.4 mtp -76.46 41.62 0.26 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -169.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -98.53 97.63 8.91 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 169.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.407 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 23.7 m-85 -66.19 139.02 58.09 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.013 -172.082 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.683 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 51.0 mt-10 -108.09 152.22 24.82 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.902 175.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -126.64 144.14 51.0 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.739 176.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.9 p -94.28 125.41 38.9 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 178.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.417 ' CD1' ' HD2' ' A' ' 53' ' ' PHE . 97.3 m-85 -102.42 117.79 35.49 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.096 -178.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -95.18 114.75 64.46 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.641 -177.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -74.19 128.35 12.08 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.424 2.083 . . . . 0.0 111.826 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.4 mt -63.07 -51.12 67.91 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -92.25 97.66 11.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.844 176.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 129.33 -153.44 19.88 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.516 -0.85 . . . . 0.0 112.605 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -152.21 178.07 29.64 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 121.182 -0.532 . . . . 0.0 111.796 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.0 mt 67.65 126.17 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.507 0.67 . . . . 0.0 111.416 -177.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -93.36 122.49 35.83 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.812 -177.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -88.32 120.64 29.88 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.899 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.419 HG23 ' HB3' ' A' ' 39' ' ' GLU . 5.7 m -93.55 120.34 33.7 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.084 -179.145 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.417 ' HD2' ' CD1' ' A' ' 42' ' ' PHE . 71.2 m-85 -116.71 149.94 39.03 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.813 0.339 . . . . 0.0 111.233 -177.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.683 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 38.7 ptt180 -74.05 138.97 44.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.64 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 38' ' ' TYR . 81.3 mt -129.12 146.1 51.14 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.091 0.472 . . . . 0.0 110.437 177.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -92.0 165.23 13.3 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 173.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.04 -34.81 44.87 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.639 0.256 . . . . 0.0 111.642 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -61.63 -54.79 38.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.946 0.403 . . . . 0.0 110.449 177.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.483 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 86.9 mt-30 -63.59 -40.04 95.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.823 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -58.05 -35.09 70.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.482 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -87.61 -19.96 27.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.938 0.399 . . . . 0.0 110.429 178.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.49 -41.15 24.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.543 -177.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 59' ' ' GLN . 3.3 pp -107.49 152.27 24.44 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.912 0.387 . . . . 0.0 110.282 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.1 m -117.5 149.99 39.69 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.774 -175.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.6 t -67.48 118.74 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 171.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.62 -4.04 46.57 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.588 -173.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -75.36 93.68 2.95 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.521 ' HG2' HG22 ' A' ' 10' ' ' VAL . 88.8 mt-30 -74.54 111.17 9.46 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.799 174.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.36 -170.79 26.5 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.384 -0.912 . . . . 0.0 112.645 -175.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 p -87.58 140.67 29.29 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.182 0.515 . . . . 0.0 112.004 -173.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.616 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 61.0 tp -117.43 128.27 54.84 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.124 179.267 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.51 ' HB3' HD21 ' A' ' 4' ' ' LEU . 19.7 m -100.99 112.03 24.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.142 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -141.59 155.02 45.78 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.948 0.404 . . . . 0.0 110.863 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -123.58 87.5 2.75 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.398 175.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.96 -114.23 4.13 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -173.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 24.0 p -100.07 4.67 44.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.087 0.47 . . . . 0.0 110.835 175.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 69.9 mtt85 -87.61 108.91 19.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.577 -177.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.448 ' CE1' HD13 ' A' ' 71' ' ' LEU . 84.3 t80 -75.94 107.46 8.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.927 177.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 68.0 t -84.29 -46.65 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.157 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.89 152.97 7.14 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.556 177.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -94.72 129.79 41.49 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.5 t -114.45 108.56 25.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.819 0.342 . . . . 0.0 110.635 -176.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.5 m -69.82 147.2 50.69 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 176.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.4 103.3 9.64 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.898 0.38 . . . . 0.0 110.678 -176.322 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 11.0 m -61.36 131.46 92.37 Favored Pre-proline 0 C--O 1.234 0.279 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.85 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -50.57 128.37 23.46 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.224 2.616 . . . . 0.0 112.441 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -68.38 160.13 30.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.425 -177.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -124.45 135.1 52.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.671 -177.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -71.35 -40.45 70.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.406 0.622 . . . . 0.0 109.467 174.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 38.6 tp -96.59 106.77 19.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.966 178.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -61.08 -65.39 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.082 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -90.48 104.01 16.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.284 -0.417 . . . . 0.0 109.921 175.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -69.18 140.67 54.64 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.262 0.553 . . . . 0.0 111.687 -175.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -128.33 127.02 41.92 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 174.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.412 ' O ' ' HB2' ' A' ' 96' ' ' HIS . 7.8 t-160 -72.84 79.68 1.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.154 0.502 . . . . 0.0 109.93 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 95' ' ' HIS . 52.7 t-80 167.0 -26.21 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.758 -1.11 . . . . 0.0 108.97 -172.096 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 34.3 m170 . . . . . 0 C--O 1.248 1.015 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.148 -174.947 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.4 ttm . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 120.659 0.266 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.61 106.83 29.52 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.773 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.25 -41.98 14.74 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.628 2.219 . . . . 0.0 111.307 176.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 72' ' ' SER . 44.7 tp -96.32 107.02 19.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.197 176.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -80.76 112.9 18.56 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.398 0.618 . . . . 0.0 110.105 -179.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.465 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 93.5 mt-30 -106.88 114.2 28.15 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.453 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.6 tttm -133.21 140.93 47.81 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 176.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -79.93 131.64 35.88 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.054 0.454 . . . . 0.0 110.702 -178.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.4 m -127.77 175.46 9.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.907 -177.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.421 ' HB ' ' HB3' ' A' ' 43' ' ' LYS . 47.9 t -104.69 125.91 59.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.963 176.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.7 t -77.82 96.67 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 172.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.431 ' OG ' ' HB2' ' A' ' 43' ' ' LYS . 15.7 m -57.97 -61.09 2.79 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.277 -174.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -173.43 155.3 2.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.324 -178.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.429 ' HD2' ' CE1' ' A' ' 60' ' ' TYR . 1.1 ptmt -83.38 121.68 27.47 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.019 171.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -121.12 139.78 52.87 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.221 0.534 . . . . 0.0 111.214 -175.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.4 mp0 -89.5 94.73 9.98 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 174.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.509 ' HG2' ' HD2' ' A' ' 18' ' ' PRO . 15.2 ttpt -91.3 138.2 25.76 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.814 -177.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.509 ' HD2' ' HG2' ' A' ' 17' ' ' LYS . 74.9 Cg_exo -41.52 119.11 0.94 Allowed 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.271 2.647 . . . . 0.0 113.566 177.178 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 44.2 t -91.8 139.88 17.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.008 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -68.41 -25.21 64.93 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -171.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -85.4 -4.79 59.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.972 0.415 . . . . 0.0 111.16 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.414 ' O ' ' HB3' ' A' ' 23' ' ' ARG . 8.2 mpt_? -99.8 71.27 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 172.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.414 ' HB3' ' O ' ' A' ' 22' ' ' ARG . 26.8 ttm180 67.97 107.9 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 O-C-N 124.008 0.818 . . . . 0.0 110.13 -171.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.0 m -83.86 -6.22 59.38 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.567 -173.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.3 ttt180 -118.39 125.03 49.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.958 0.408 . . . . 0.0 110.58 -177.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -81.13 126.09 31.04 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.392 -175.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -98.53 -176.97 3.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.207 176.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.28 132.43 35.23 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 172.124 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.1 t 59.92 68.55 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 -167.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 p -102.15 118.83 58.25 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.223 -172.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -90.6 -157.14 0.06 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.971 0 C-N-CA 123.191 2.594 . . . . 0.0 110.83 171.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.42 ' CB ' ' HA ' ' A' ' 18' ' ' PRO . . . -143.17 -76.34 0.25 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.803 0.335 . . . . 0.0 110.528 177.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 145.41 -178.95 22.83 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.7 m -67.42 105.91 1.95 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.175 0.512 . . . . 0.0 110.502 179.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.4 m -85.96 115.21 23.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.876 -177.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 92.3 mmm -79.38 -19.62 49.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.264 0.554 . . . . 0.0 110.165 176.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.4 mtm-85 -111.63 97.21 6.57 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 174.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -79.03 164.47 24.32 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.76 -178.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.456 ' HB3' HG22 ' A' ' 52' ' ' THR . 29.1 mt-10 -129.3 141.37 51.12 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 175.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.69 135.53 54.42 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.829 0.347 . . . . 0.0 110.713 -177.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.3 m -94.55 129.36 41.4 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.832 -178.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -102.79 129.92 49.6 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.37 175.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.431 ' HB2' ' OG ' ' A' ' 12' ' ' SER . 19.7 tttp -95.04 121.29 62.8 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.667 -172.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -72.95 115.43 4.35 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 122.888 2.392 . . . . 0.0 111.596 176.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.6 mt -58.57 -33.93 70.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.658 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -91.05 20.61 4.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.118 0.485 . . . . 0.0 111.189 -175.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.66 145.14 4.77 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.225 -178.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.21 -178.51 26.7 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.869 -0.681 . . . . 0.0 111.614 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.7 mt -82.97 139.4 33.35 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 176.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -67.17 125.91 27.53 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.144 0.497 . . . . 0.0 110.539 -178.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -82.78 104.48 13.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.043 -177.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.456 HG22 ' HB3' ' A' ' 39' ' ' GLU . 14.1 m -96.51 107.54 19.96 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.598 -178.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -109.68 153.29 24.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.533 -179.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.434 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 25.2 ttm180 -85.74 144.55 27.72 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.059 -174.234 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.43 HD11 ' HG ' ' A' ' 63' ' ' LEU . 70.6 mt -129.75 153.18 48.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.604 -175.201 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -90.12 164.37 14.49 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 167.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.65 -39.91 74.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.906 0.384 . . . . 0.0 111.148 178.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -62.69 -44.5 96.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.684 177.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -67.82 -38.75 83.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.4 0.619 . . . . 0.0 109.861 178.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.429 ' CE1' ' HD2' ' A' ' 14' ' ' LYS . 78.5 t80 -54.87 -33.27 61.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.797 -1.092 . . . . 0.0 111.569 179.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -64.12 -30.47 71.53 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.28 177.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.83 -6.32 57.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.858 0.361 . . . . 0.0 111.467 -174.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.43 ' HG ' HD11 ' A' ' 55' ' ' LEU . 4.3 mm? -94.07 90.69 6.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.225 0.536 . . . . 0.0 111.061 -179.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.6 m -88.36 111.94 22.31 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.473 178.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 42.8 t -62.55 125.73 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.214 0.53 . . . . 0.0 111.376 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 96.73 -23.78 33.84 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.88 -177.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -78.54 92.6 4.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.12 0.486 . . . . 0.0 110.065 -178.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -60.45 134.91 57.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.915 177.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.34 176.13 37.9 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.369 -0.92 . . . . 0.0 112.335 -175.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.5 m -78.22 136.74 37.85 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.236 0.541 . . . . 0.0 111.283 -173.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 45.9 tp -117.43 125.0 50.21 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.72 178.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.52 ' HB3' HD21 ' A' ' 4' ' ' LEU . 35.2 m -101.31 112.05 24.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.094 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 55.2 p90 -136.11 157.75 46.08 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.916 0.389 . . . . 0.0 110.755 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -130.96 120.37 23.43 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 176.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.28 -114.03 5.5 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 120.218 -0.991 . . . . 0.0 111.317 -177.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.3 m -115.44 3.39 14.1 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.014 0.435 . . . . 0.0 110.487 178.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 56.4 ttt85 -105.68 141.3 37.36 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.331 0.586 . . . . 0.0 111.77 -173.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -75.39 133.46 41.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.708 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.8 t -108.0 -55.12 5.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.909 0.385 . . . . 0.0 110.43 177.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -168.28 154.34 24.14 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.518 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -107.14 135.86 47.96 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 177.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 47.0 t -125.22 102.27 10.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.875 0.369 . . . . 0.0 110.763 -177.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.8 t -67.51 155.68 38.49 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 174.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 84' ' ' ARG . 41.7 mtt180 -64.48 -29.91 70.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.94 0.4 . . . . 0.0 110.305 -178.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.436 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 77.6 m -151.39 116.93 3.18 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.757 174.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 85' ' ' THR . 6.3 Cg_exo -79.01 -163.41 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.146 2.564 . . . . 0.0 112.495 -179.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.72 -34.54 72.01 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.352 0.596 . . . . 0.0 109.708 177.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -126.07 -176.43 3.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.884 -178.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -81.83 -21.77 37.41 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.181 0.515 . . . . 0.0 109.626 174.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.8 mt -97.77 144.22 27.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.652 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -76.57 -8.33 57.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.243 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 64.32 25.2 13.44 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.247 -174.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -80.06 -10.96 59.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.508 0.671 . . . . 0.0 109.501 -178.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -133.27 100.39 4.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.018 170.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -85.64 1.9 47.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.149 0.5 . . . . 0.0 111.266 -175.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -152.61 139.35 18.88 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 171.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 7.2 m170 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.439 -0.791 . . . . 0.0 109.246 -179.851 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.9 mtp . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.94 125.3 90.36 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.501 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -65.8 -28.85 51.06 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.626 2.218 . . . . 0.0 111.367 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.515 HD23 ' HB3' ' A' ' 72' ' ' SER . 24.9 tp -102.06 116.36 32.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.202 178.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -80.93 112.84 18.69 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -178.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.47 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 96.8 mt-30 -116.67 138.55 51.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.102 -178.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -156.7 159.56 38.49 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.412 -0.813 . . . . 0.0 108.881 176.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -89.18 131.08 35.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.028 0.442 . . . . 0.0 110.072 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.6 m -134.75 174.25 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.716 -176.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.417 HG21 ' HG2' ' A' ' 68' ' ' GLN . 62.1 t -116.63 126.55 74.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.411 178.148 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.538 HG22 HD11 ' A' ' 63' ' ' LEU . 26.0 t -76.82 88.93 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 170.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 p -82.04 -53.55 6.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.356 -170.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -131.36 143.4 50.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.01 0.433 . . . . 0.0 111.63 -176.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HE3' ' HB3' ' A' ' 14' ' ' LYS . 0.9 OUTLIER -98.07 121.51 40.09 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 170.44 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.432 HH12 ' CD ' ' A' ' 50' ' ' GLU . 47.1 mtt85 -118.95 153.02 35.29 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.53 -176.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -138.23 94.56 2.88 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm -98.89 116.81 65.11 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.319 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -61.56 111.75 1.25 Allowed 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.531 2.154 . . . . 0.0 111.579 176.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.0 t -105.17 112.49 38.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.803 178.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -81.49 62.31 5.31 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.74 -177.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -106.59 89.97 3.19 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 176.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -86.73 107.58 18.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.367 -171.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.0 ttt85 -63.83 -30.12 71.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.392 0.615 . . . . 0.0 109.79 173.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.478 ' OG ' ' HA3' ' A' ' 33' ' ' GLY . 4.4 m -64.73 -27.64 69.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.841 177.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.0 mtt85 61.87 28.92 17.7 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.12 0.485 . . . . 0.0 111.296 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -89.45 152.66 21.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.777 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -86.94 -17.39 33.25 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 172.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -65.03 164.4 12.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.643 -1.162 . . . . 0.0 111.038 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.6 t -92.55 14.41 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.331 0.586 . . . . 0.0 110.331 -177.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.3 m -67.88 115.36 27.18 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.43 -178.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -86.42 20.51 1.22 Allowed 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 122.778 2.319 . . . . 0.0 111.814 177.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.33 -31.86 72.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.131 -178.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.478 ' HA3' ' OG ' ' A' ' 24' ' ' SER . . . -100.33 30.39 10.28 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.032 179.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.7 m -147.5 133.8 19.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.851 0.357 . . . . 0.0 110.315 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.3 m -115.87 160.53 20.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.178 178.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 82.9 mtp -72.07 143.37 49.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.94 0.4 . . . . 0.0 110.296 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -116.88 106.59 13.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.465 -176.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -86.55 106.49 17.57 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -103.45 144.54 31.26 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 121.134 0.492 . . . . 0.0 110.49 -172.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.5 129.09 55.17 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.91 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.669 ' HB3' ' HB3' ' A' ' 50' ' ' GLU . 17.0 m -94.39 122.77 37.29 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.209 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -102.67 118.49 36.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.102 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.437 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 81.8 tttt -95.19 128.71 37.7 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.753 -177.436 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 14.1 Cg_exo -70.22 127.21 13.9 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 123.093 2.529 . . . . 0.0 112.096 176.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.91 -24.15 67.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.513 -177.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -106.35 23.62 13.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.312 0.577 . . . . 0.0 110.998 -174.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.54 140.54 10.68 Favored Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.419 179.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.408 ' HA3' ' HG2' ' A' ' 44' ' ' PRO . . . 149.25 174.77 21.04 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 111.394 -0.682 . . . . 0.0 111.394 -179.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 76.8 mt -89.26 152.0 21.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.718 0.294 . . . . 0.0 110.209 178.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.669 ' HB3' ' HB3' ' A' ' 41' ' ' SER . 45.4 mt-10 -66.11 127.49 32.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.542 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.9 mttp -89.18 104.02 16.6 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.899 175.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.0 m -84.22 98.24 9.84 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.86 -177.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -97.59 139.76 33.01 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 176.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.3 mtt-85 -87.11 137.62 32.19 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.501 -174.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.6 mt -132.54 171.43 13.8 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.89 -176.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -96.93 169.97 9.48 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.353 173.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.39 -38.14 89.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.077 0.465 . . . . 0.0 110.038 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -60.47 -43.0 97.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.489 175.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -70.12 -35.62 74.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.117 -179.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -66.64 -25.5 66.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.162 0.506 . . . . 0.0 110.423 177.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -75.82 -9.66 58.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.608 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -89.97 -32.86 16.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.83 -177.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.538 HD11 HG22 ' A' ' 11' ' ' VAL . 2.4 pt? -114.78 165.24 13.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 110.925 -176.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.563 ' HB ' ' HB2' ' A' ' 67' ' ' ASP . 24.2 m -123.05 140.62 52.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.765 -177.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 55.8 t -69.44 120.18 16.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 175.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.63 -12.4 53.9 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 121.149 -0.548 . . . . 0.0 111.819 -174.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.563 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 13.0 t70 -78.67 93.27 4.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.093 0.473 . . . . 0.0 109.916 -179.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.417 ' HG2' HG21 ' A' ' 10' ' ' VAL . 45.6 mt-30 -67.37 127.7 33.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.991 177.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.47 -170.92 26.81 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.995 -176.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.2 m -95.34 138.59 32.82 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.019 0.438 . . . . 0.0 111.053 -174.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.47 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 65.9 tp -117.44 131.24 56.78 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.252 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.515 ' HB3' HD23 ' A' ' 4' ' ' LEU . 20.1 m -103.49 114.15 28.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.548 176.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -140.35 170.18 16.3 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.627 -177.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -137.88 87.38 2.25 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 174.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.81 -137.1 23.82 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -171.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.8 m -89.76 65.68 6.86 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.189 0.519 . . . . 0.0 109.905 176.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 19.5 ttm-85 -153.51 125.66 7.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.801 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -79.45 117.8 20.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.4 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.2 t -98.25 -48.65 12.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.125 0.488 . . . . 0.0 109.72 175.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -179.14 139.86 4.13 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.322 177.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -98.41 124.25 42.99 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 176.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 36.9 t -110.32 95.08 3.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.273 0.559 . . . . 0.0 110.4 -177.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.421 ' O ' ' HD2' ' A' ' 86' ' ' PRO . 14.1 p -74.85 164.02 27.02 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 173.077 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -95.48 17.64 14.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.416 0.627 . . . . 0.0 110.305 -176.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.411 ' CB ' ' HD3' ' A' ' 86' ' ' PRO . 0.0 OUTLIER -65.72 -50.88 52.71 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.459 172.636 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.421 ' HD2' ' O ' ' A' ' 83' ' ' SER . 12.9 Cg_exo -71.72 -166.48 0.25 Allowed 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 122.481 2.12 . . . . 0.0 112.068 173.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -91.11 3.84 53.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.614 -175.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 14.4 m120 59.44 26.29 15.19 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.13 0.491 . . . . 0.0 110.299 -175.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -75.12 -7.15 52.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.686 -177.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.8 mt -74.17 -22.95 59.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.717 174.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -92.81 148.54 21.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.129 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 44.9 m170 -86.06 112.57 21.38 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 161.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -59.7 107.17 0.56 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.443 0.639 . . . . 0.0 111.192 -168.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 37.9 p-80 -110.5 21.76 16.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.138 -174.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -115.69 -43.55 3.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.238 174.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -134.4 120.65 20.08 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 175.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 15.0 p-80 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.235 -0.888 . . . . 0.0 109.876 177.559 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 120.891 0.377 . . . . 0.0 110.122 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.18 85.11 34.35 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 -178.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -94.38 12.98 1.55 Allowed 'Trans proline' 0 N--CA 1.454 -0.82 0 C-N-CA 123.425 2.75 . . . . 0.0 112.838 179.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.405 ' CD1' ' HB3' ' A' ' 72' ' ' SER . 2.3 pt? -77.7 158.26 29.74 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -96.71 121.15 38.25 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.618 0.246 . . . . 0.0 110.461 -177.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -105.07 109.34 21.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.168 0.508 . . . . 0.0 110.354 175.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -125.06 137.2 54.21 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.282 179.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.438 ' HG2' ' HA ' ' A' ' 70' ' ' THR . 75.2 mt-30 -82.98 132.06 35.16 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.379 177.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.448 HG13 ' HA ' ' A' ' 44' ' ' PRO . 21.3 m -126.69 167.43 21.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.162 -175.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.516 HG23 ' HG2' ' A' ' 68' ' ' GLN . 49.0 t -103.82 122.08 56.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.349 176.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.501 HG21 HD12 ' A' ' 63' ' ' LEU . 23.8 t -72.37 97.3 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 172.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.64 ' HB3' ' HB3' ' A' ' 41' ' ' SER . 29.4 t -71.98 -57.25 4.45 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.654 -171.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -175.45 162.43 2.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.261 -176.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.1 pttt -84.65 133.57 34.4 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 173.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -132.72 150.18 52.19 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.402 0.62 . . . . 0.0 110.73 -177.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -109.31 120.06 41.36 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.779 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.671 ' HE3' HG21 ' A' ' 52' ' ' THR . 92.5 mttt -89.83 150.49 43.96 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.569 178.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -50.61 121.03 7.24 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.852 2.368 . . . . 0.0 111.821 177.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 40.0 t -65.13 110.71 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.881 -177.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -87.27 -5.12 59.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.192 177.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -75.01 97.43 3.39 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 107.913 -1.144 . . . . 0.0 107.913 172.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 22' ' ' ARG . 12.4 mtm-85 -66.11 131.75 46.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.661 0.743 . . . . 0.0 112.708 -168.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -69.66 162.52 27.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.461 -1.245 . . . . 0.0 111.087 -177.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.5 m -85.6 119.52 26.03 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 174.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.4 mtm180 -61.83 -45.76 92.41 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.11 0.481 . . . . 0.0 110.449 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -98.17 143.98 28.12 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 177.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -79.03 92.72 5.01 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.424 0.631 . . . . 0.0 112.215 -171.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -92.99 178.91 5.6 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.404 -0.816 . . . . 0.0 108.807 168.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.9 t -76.25 -56.69 7.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.5 m 54.43 79.75 0.33 Allowed Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.263 178.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -76.75 33.4 0.42 Allowed 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.958 2.439 . . . . 0.0 113.043 -175.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.14 -31.87 23.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.138 0.494 . . . . 0.0 110.148 178.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.59 -140.76 15.78 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.118 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 60.6 m -149.87 114.49 5.28 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.827 0.346 . . . . 0.0 110.418 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.9 p -74.76 94.1 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 66.8 mtm -71.21 115.12 9.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.283 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.6 mtm-85 -122.33 105.05 9.85 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.074 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -90.55 111.61 22.97 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 175.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.743 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 51.6 mt-10 -103.3 145.04 30.55 Favored 'General case' 0 C--N 1.31 -1.137 0 C-N-CA 119.91 -0.716 . . . . 0.0 109.143 -174.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.35 148.75 42.18 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 121.254 0.549 . . . . 0.0 111.122 -170.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.64 ' HB3' ' HB3' ' A' ' 12' ' ' SER . 11.6 t -94.82 112.65 24.36 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.982 -177.354 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.455 ' CD1' ' HD2' ' A' ' 53' ' ' PHE . 96.3 m-85 -106.27 108.43 19.95 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.961 178.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.599 ' HB2' ' HG2' ' A' ' 50' ' ' GLU . 59.9 tttp -95.48 124.56 52.77 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.167 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.448 ' HA ' HG13 ' A' ' 9' ' ' VAL . 24.1 Cg_exo -65.01 134.77 41.16 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.729 2.286 . . . . 0.0 111.435 172.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.2 mt -63.68 -60.06 3.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.142 0.496 . . . . 0.0 111.89 -177.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -99.16 89.04 4.1 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.395 -174.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.39 95.87 0.14 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.134 -0.555 . . . . 0.0 113.123 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 169.18 143.43 3.86 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.163 -1.018 . . . . 0.0 112.995 178.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.5 tp -88.94 154.9 19.85 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.599 ' HG2' ' HB2' ' A' ' 43' ' ' LYS . 42.6 mt-10 -59.04 129.03 40.19 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 123.412 0.445 . . . . 0.0 111.704 -177.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -102.01 143.14 32.23 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 173.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.671 HG21 ' HE3' ' A' ' 17' ' ' LYS . 3.6 m -108.95 118.1 35.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.687 0.28 . . . . 0.0 111.137 -176.384 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.455 ' HD2' ' CD1' ' A' ' 42' ' ' PHE . 90.6 m-85 -115.78 149.01 39.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.622 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.743 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 37.0 ttm180 -82.22 131.52 35.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.323 -174.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.422 ' HB3' ' HB2' ' A' ' 60' ' ' TYR . 83.3 mt -133.96 142.46 47.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.19 0.519 . . . . 0.0 110.992 179.032 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -119.42 -167.76 1.46 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.379 172.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -43.86 -76.46 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -169.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -70.74 -21.71 62.5 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.673 -174.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -71.51 -45.3 62.82 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.941 0.4 . . . . 0.0 110.38 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.422 ' HB2' ' HB3' ' A' ' 55' ' ' LEU . 86.0 t80 -75.82 -23.95 55.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.326 0.584 . . . . 0.0 110.247 178.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -72.18 -16.6 61.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.995 -179.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.425 ' O ' ' HA ' ' A' ' 86' ' ' PRO . . . -80.72 -6.23 58.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.928 -176.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.501 HD12 HG21 ' A' ' 11' ' ' VAL . 2.4 pt? -144.16 164.48 30.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.836 0.35 . . . . 0.0 110.393 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.4 m -123.17 144.51 49.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.483 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 44.8 t -61.6 124.6 16.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.07 0.462 . . . . 0.0 110.408 174.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.27 -18.06 54.65 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.976 -176.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -78.51 92.57 4.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.176 0.512 . . . . 0.0 109.779 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.664 ' O ' ' HD3' ' A' ' 84' ' ' ARG . 86.4 mt-30 -62.4 134.12 56.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.196 175.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.28 177.33 37.65 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.191 -1.004 . . . . 0.0 112.527 -175.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.478 ' HB ' ' HB ' ' A' ' 82' ' ' VAL . 17.2 m -84.92 133.4 34.29 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.933 0.396 . . . . 0.0 111.319 -172.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.6 tp -117.19 124.56 49.41 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.199 178.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.405 ' HB3' ' CD1' ' A' ' 4' ' ' LEU . 18.3 m -104.87 122.97 46.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.615 179.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -150.11 160.92 43.29 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.222 0.534 . . . . 0.0 111.152 -175.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -123.69 104.81 9.22 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.33 -0.85 . . . . 0.0 108.958 173.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.3 -114.2 4.08 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.515 -0.85 . . . . 0.0 111.356 -176.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.9 p -113.37 4.7 16.47 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.855 0.359 . . . . 0.0 110.92 177.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.2 ttt85 -97.39 133.12 42.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.113 0.482 . . . . 0.0 111.471 -175.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.412 ' HB2' ' CD1' ' A' ' 53' ' ' PHE . 52.9 t80 -70.27 127.56 33.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.667 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 85.6 t -108.86 -49.91 7.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.328 176.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -170.51 155.49 25.04 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.013 178.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -126.23 133.15 51.57 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.478 ' HB ' ' HB ' ' A' ' 70' ' ' THR . 43.3 t -109.61 95.74 4.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.784 178.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.2 p -79.07 152.99 30.52 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.545 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.664 ' HD3' ' O ' ' A' ' 68' ' ' GLN . 27.4 mtp-105 -83.17 -23.6 32.85 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.359 179.213 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 60.6 m -133.15 89.82 32.4 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.813 173.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.425 ' HA ' ' O ' ' A' ' 62' ' ' ALA . 19.0 Cg_endo -93.3 179.17 1.1 Allowed 'Trans proline' 0 N--CA 1.454 -0.828 0 C-N-CA 123.569 2.846 . . . . 0.0 111.938 176.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.4 p30 -87.17 -16.47 35.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.036 0.446 . . . . 0.0 110.933 178.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -144.36 139.77 28.68 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.702 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -65.01 -29.04 69.93 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 172.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.2 mt -98.92 -164.95 1.18 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.934 177.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -97.54 -174.38 2.9 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.755 0.312 . . . . 0.0 110.243 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -98.45 5.51 47.99 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.532 0.682 . . . . 0.0 109.211 175.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -142.21 135.94 29.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.002 176.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -65.05 -51.35 62.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.658 0.266 . . . . 0.0 111.341 -174.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -87.6 144.97 26.41 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 -68.39 -47.15 68.11 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 175.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 33.3 m80 . . . . . 0 C--O 1.246 0.879 0 CA-C-N 114.67 -1.15 . . . . 0.0 108.7 171.777 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.1 mtt . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 120.69 0.281 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.429 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . . . -146.32 146.33 27.22 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.026 -176.241 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.439 ' HB2' ' HG3' ' A' ' 74' ' ' LYS . 12.5 Cg_exo -71.13 -26.06 21.72 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 123.004 2.469 . . . . 0.0 112.242 177.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.493 HD13 ' HB3' ' A' ' 72' ' ' SER . 24.0 tp -87.16 105.87 17.49 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.645 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -92.73 113.24 25.46 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.929 0.395 . . . . 0.0 110.114 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.488 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 97.3 mt-30 -103.49 114.63 29.05 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.548 179.16 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -133.36 169.2 17.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.928 177.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -86.84 125.95 34.32 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 173.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.2 m -124.01 157.96 30.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 120.817 0.341 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.502 HG21 ' HG2' ' A' ' 68' ' ' GLN . 26.0 t -103.01 120.6 53.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.413 178.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.54 HG23 ' HB2' ' A' ' 63' ' ' LEU . 48.1 t -67.87 104.3 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 171.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.4 t -97.04 -58.13 2.1 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.184 -169.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -127.59 146.32 50.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.888 0.375 . . . . 0.0 111.676 -174.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -113.12 124.97 53.81 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 170.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -138.83 163.6 31.83 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.711 -171.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -146.63 110.11 4.84 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.282 171.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -96.2 112.85 61.01 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.765 177.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -76.37 105.49 2.09 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 123.006 2.471 . . . . 0.0 111.311 175.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.615 HG11 ' H ' ' A' ' 21' ' ' ASP . 40.2 t -73.42 140.49 17.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.31 -179.377 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -67.61 -27.9 67.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.015 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.615 ' H ' HG11 ' A' ' 19' ' ' VAL . 35.5 t70 -74.65 111.04 9.45 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 175.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 51.2 mtp85 -114.42 170.58 8.2 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.379 -174.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -69.06 -69.35 0.34 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 170.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.3 m -84.65 121.53 27.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.18 171.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 25' ' ' ARG . 38.5 mtt180 -59.97 -36.93 78.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.229 0.537 . . . . 0.0 110.24 -178.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -73.44 130.57 40.42 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.354 178.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -123.47 120.35 32.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.591 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -124.92 -170.24 2.13 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 174.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.4 t -85.43 60.81 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.613 0.72 . . . . 0.0 110.16 -176.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.418 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 33.7 t -128.92 110.81 18.53 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.392 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 30' ' ' SER . 27.5 Cg_endo -64.22 -19.63 66.1 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.908 2.405 . . . . 0.0 111.887 177.161 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.98 -20.38 57.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.308 176.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.83 32.64 5.92 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.989 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.3 t -163.7 162.62 24.15 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.6 p -125.12 116.36 21.93 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.762 0.315 . . . . 0.0 110.623 -178.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 87.4 mtp -88.29 147.71 24.67 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.997 178.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.47 105.5 1.46 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.109 0.481 . . . . 0.0 110.383 -178.022 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.408 ' N ' ' HD1' ' A' ' 38' ' ' TYR . 2.3 m-30 -61.36 125.18 22.84 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.538 -174.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.885 ' HG2' ' HG2' ' A' ' 54' ' ' ARG . 34.8 mt-10 -103.53 135.74 44.56 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 -179.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.22 128.95 55.19 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.883 0.373 . . . . 0.0 111.172 -175.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.703 ' HB3' ' HB3' ' A' ' 50' ' ' GLU . 20.2 m -94.42 121.58 36.1 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.72 177.367 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -102.73 127.86 49.69 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.191 -178.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.481 ' HB3' ' HB ' ' A' ' 10' ' ' VAL . 72.8 tttt -95.92 122.42 58.49 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.295 -176.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 3.8 Cg_exo -76.28 132.39 13.72 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.856 2.37 . . . . 0.0 112.601 -178.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.99 -23.66 64.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.197 178.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -87.01 17.27 4.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.821 -175.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.43 127.29 0.27 Allowed Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.439 -0.801 . . . . 0.0 112.599 -177.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 169.3 -147.1 10.73 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.531 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.0 mt -123.75 154.68 39.16 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.251 -0.278 . . . . 0.0 110.251 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.703 ' HB3' ' HB3' ' A' ' 41' ' ' SER . 23.9 mt-10 -68.28 113.37 5.83 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.031 -177.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 41' ' ' SER . 61.4 mttm -82.6 120.86 26.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.589 178.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 24.8 m -102.51 110.77 22.81 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.946 0.403 . . . . 0.0 111.34 -175.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -112.85 151.54 30.3 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.951 178.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.885 ' HG2' ' HG2' ' A' ' 39' ' ' GLU . 85.6 mtm-85 -88.5 135.32 33.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.959 0.409 . . . . 0.0 111.056 -177.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 91.3 mt -133.03 167.82 19.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.2 -174.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -104.27 165.94 10.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.842 174.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.82 -35.95 82.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.057 0.455 . . . . 0.0 110.239 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -57.15 -34.21 68.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.828 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -86.93 -39.51 15.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.522 -178.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -63.59 -17.1 62.5 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.373 178.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -52.46 -30.39 29.52 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.149 176.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.54 -61.06 1.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -176.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.54 ' HB2' HG23 ' A' ' 11' ' ' VAL . 0.7 OUTLIER -72.93 133.91 44.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.447 0.641 . . . . 0.0 111.846 -172.849 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.8 m -123.2 149.73 44.28 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.646 177.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 83.6 t -59.66 125.62 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.813 0.34 . . . . 0.0 110.656 178.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.16 -23.64 32.47 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.78 -176.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -76.24 96.37 3.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.3 0.571 . . . . 0.0 110.469 -177.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.502 ' HG2' HG21 ' A' ' 10' ' ' VAL . 79.2 mt-30 -61.29 143.16 56.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.17 174.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.455 ' HA3' ' HA ' ' A' ' 83' ' ' SER . . . -161.41 177.51 37.69 Favored Glycine 0 N--CA 1.443 -0.881 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.9 m -91.65 130.94 37.37 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.134 0.493 . . . . 0.0 110.531 -175.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.488 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 58.3 tp -117.27 122.39 43.82 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.668 -177.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.535 ' O ' ' HB ' ' A' ' 79' ' ' VAL . 22.8 m -98.1 105.22 17.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.352 175.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.3 p90 -121.27 122.67 40.43 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.372 0.606 . . . . 0.0 110.188 175.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.439 ' HG3' ' HB2' ' A' ' 3' ' ' PRO . 36.6 ttmt -98.66 103.86 15.85 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.491 -0.777 . . . . 0.0 108.996 -178.481 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.95 -114.46 3.83 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.542 -0.837 . . . . 0.0 111.111 -174.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.9 p -119.56 16.07 12.86 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.061 0.458 . . . . 0.0 110.733 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 77' ' ' ARG . 22.5 ttm-85 -112.95 139.0 48.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.76 -175.047 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -69.51 116.03 9.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.801 174.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.535 ' HB ' ' O ' ' A' ' 72' ' ' SER . 98.5 t -97.37 -57.21 4.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.702 0.287 . . . . 0.0 110.388 178.29 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -165.3 143.29 8.34 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.352 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -117.95 128.62 54.98 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 177.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.9 t -131.69 111.7 19.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.225 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.455 ' HA ' ' HA3' ' A' ' 69' ' ' GLY . 51.5 m -59.99 144.74 48.45 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 174.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -74.88 -6.52 49.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.983 0.421 . . . . 0.0 110.849 -178.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.455 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 34.6 m -97.14 114.62 65.0 Favored Pre-proline 0 N--CA 1.45 -0.463 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 170.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 85' ' ' THR . 16.7 Cg_exo -67.08 135.62 38.08 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.803 2.335 . . . . 0.0 113.207 -175.156 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -73.13 152.48 41.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.734 174.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -94.45 35.4 1.21 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.03 0.443 . . . . 0.0 111.559 -169.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -109.33 -68.11 0.94 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.827 0.346 . . . . 0.0 110.81 178.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.15 129.37 39.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -176.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -82.08 122.15 27.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.285 -179.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -121.54 136.47 54.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.108 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -70.17 -28.02 65.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.096 0.474 . . . . 0.0 109.887 178.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -115.86 118.54 33.26 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 177.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -100.05 -42.26 6.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.016 -174.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -80.64 143.33 33.18 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -177.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.527 -0.749 . . . . 0.0 110.829 -175.284 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.483 1.176 0 CA-C-O 120.586 0.231 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.34 83.0 0.22 Allowed Pre-proline 0 C--O 1.233 0.191 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.583 -178.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -64.44 -38.39 33.95 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.446 2.097 . . . . 0.0 111.104 175.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.469 HD21 ' HB2' ' A' ' 72' ' ' SER . 31.8 tp -108.62 109.05 20.16 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.627 173.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -80.36 112.45 17.7 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.203 0.525 . . . . 0.0 109.984 -176.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.411 ' HB3' ' CG2' ' A' ' 70' ' ' THR . 95.6 mt-30 -113.18 115.58 28.47 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.79 -176.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -136.15 149.51 48.66 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 173.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -84.45 141.1 31.05 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.117 0.484 . . . . 0.0 111.351 -176.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.2 m -137.7 172.58 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.582 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.517 HG22 ' HG2' ' A' ' 68' ' ' GLN . 41.6 t -107.78 119.32 57.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.096 175.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.65 HG23 HD13 ' A' ' 63' ' ' LEU . 16.5 t -68.62 96.53 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 171.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.3 t -79.25 -48.57 13.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.872 -167.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -164.73 151.8 11.16 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.873 -175.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -88.28 151.08 22.89 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 173.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -138.96 168.25 20.25 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.816 0.341 . . . . 0.0 110.602 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -142.91 95.03 2.71 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 171.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.583 ' HA ' ' HZ2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -109.82 90.81 9.68 Favored Pre-proline 0 C--N 1.32 -0.697 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 176.395 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.82 136.45 53.34 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.179 1.92 . . . . 0.0 111.423 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.418 HG13 ' H ' ' A' ' 21' ' ' ASP . 46.9 t -59.27 122.87 10.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 175.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -67.15 -1.7 4.69 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.057 -172.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.454 ' HA ' ' CZ ' ' A' ' 23' ' ' ARG . 6.3 m-20 -81.19 -10.18 59.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.866 0.365 . . . . 0.0 110.488 176.101 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -87.21 91.17 8.62 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 175.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.454 ' CZ ' ' HA ' ' A' ' 21' ' ' ASP . 42.6 mtt85 -121.25 -165.9 1.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.36 0.6 . . . . 0.0 110.883 -174.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.6 t -109.86 167.33 10.24 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.035 175.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -78.48 -20.34 51.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.221 0.534 . . . . 0.0 109.956 177.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -135.45 -171.1 2.75 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.826 178.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -94.2 -10.6 32.51 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 173.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -82.93 122.1 27.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.297 175.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 56.2 t 63.93 89.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.336 0.588 . . . . 0.0 110.467 -177.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.3 m -128.09 109.63 19.9 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.607 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -67.18 148.98 81.7 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.848 2.365 . . . . 0.0 111.892 178.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.8 -18.17 59.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.083 0.468 . . . . 0.0 110.665 -178.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.07 30.96 4.9 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.891 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.2 m -68.03 143.81 55.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.854 0.359 . . . . 0.0 110.882 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.4 p -154.91 166.9 32.07 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.527 177.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 89.3 mmm -94.21 -2.71 52.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.1 0.476 . . . . 0.0 110.449 178.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -97.0 93.74 6.77 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.373 175.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -85.09 -173.25 4.61 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.734 -175.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -132.41 152.41 51.49 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.441 ' O ' ' HA ' ' A' ' 52' ' ' THR . . . -123.69 132.98 53.96 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.679 0.276 . . . . 0.0 110.864 -178.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.471 ' OG ' ' HB3' ' A' ' 50' ' ' GLU . 12.4 t -96.64 117.79 31.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.058 179.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -102.88 117.69 35.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.279 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -98.63 124.98 44.3 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.237 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.03 139.02 59.48 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.89 2.393 . . . . 0.0 112.36 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 71.2 mt -63.03 -34.76 78.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.417 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.67 23.24 8.92 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.684 -172.303 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.96 148.85 6.08 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.638 -176.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.31 -172.54 29.34 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.252 -0.975 . . . . 0.0 112.371 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.2 mt -81.77 148.53 28.86 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.801 0.334 . . . . 0.0 110.822 -177.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.471 ' HB3' ' OG ' ' A' ' 41' ' ' SER . 42.6 mt-10 -82.51 112.3 19.31 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.302 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -82.47 113.2 20.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.274 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.441 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 24.4 m -98.33 113.57 25.58 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.719 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -116.31 149.88 38.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.936 178.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -88.03 125.95 34.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.935 0.398 . . . . 0.0 111.163 -174.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.5 mt -131.76 135.99 47.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.093 -175.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -81.03 173.31 12.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.122 178.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.98 -46.42 89.5 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.861 0.363 . . . . 0.0 111.328 -178.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -64.01 -33.37 75.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.268 178.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -78.57 -41.3 32.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.503 -178.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -59.2 -35.99 74.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.075 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -84.03 23.43 1.04 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -177.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.65 -11.8 21.7 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 168.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.65 HD13 HG23 ' A' ' 11' ' ' VAL . 1.5 pt? -142.62 171.51 13.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.246 -178.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.538 ' HB ' ' HB2' ' A' ' 67' ' ' ASP . 1.3 m -123.32 154.23 39.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.66 -179.092 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 49.0 t -71.7 121.04 21.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 170.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.92 -5.19 66.16 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.982 -0.628 . . . . 0.0 111.586 -173.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.538 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 0.9 OUTLIER -77.96 90.74 4.17 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.838 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.517 ' HG2' HG22 ' A' ' 10' ' ' VAL . 97.0 mt-30 -64.81 120.36 12.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.751 176.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.54 176.8 38.02 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.28 -0.962 . . . . 0.0 112.22 -176.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.411 ' CG2' ' HB3' ' A' ' 6' ' ' GLN . 7.1 m -77.04 139.84 40.16 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.964 0.411 . . . . 0.0 110.9 -175.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 52.4 tp -117.38 116.05 26.43 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.469 ' HB2' HD21 ' A' ' 4' ' ' LEU . 8.2 p -93.9 110.96 22.6 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.532 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -139.13 166.34 24.77 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.248 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -126.35 91.95 3.47 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 175.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.45 -114.33 5.36 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.314 -0.946 . . . . 0.0 111.004 -175.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.2 p -94.44 -3.28 50.39 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.876 0.369 . . . . 0.0 111.063 177.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -89.13 113.4 24.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.661 -175.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -73.88 125.28 27.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.271 175.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.0 t -106.97 -50.3 7.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.748 0.309 . . . . 0.0 110.75 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -176.5 177.03 48.01 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.595 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -125.23 134.1 52.46 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 62.1 t -127.05 98.69 4.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.961 0.41 . . . . 0.0 111.096 -176.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.403 ' HB3' ' HG3' ' A' ' 86' ' ' PRO . 35.4 t -85.06 154.56 22.0 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 173.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 88.8 mtt-85 -60.13 -50.93 71.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.061 0.458 . . . . 0.0 110.266 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 86.7 m -155.76 98.29 2.27 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.807 177.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.403 ' HG3' ' HB3' ' A' ' 83' ' ' SER . 7.5 Cg_exo -73.29 164.41 35.32 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.889 2.392 . . . . 0.0 111.901 179.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -59.44 -18.73 41.9 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.937 0.399 . . . . 0.0 111.427 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -65.61 -36.54 84.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.29 0.567 . . . . 0.0 110.109 176.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -84.38 -10.63 57.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.021 -173.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.7 mt -69.75 -19.46 63.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.347 0.594 . . . . 0.0 110.05 176.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.406 ' CD ' ' H ' ' A' ' 93' ' ' HIS . 7.7 tm-20 -65.91 121.85 16.02 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 172.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -74.84 6.3 4.15 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -169.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 96' ' ' HIS . 7.1 m-70 62.85 39.34 10.74 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 122.995 0.518 . . . . 0.0 110.969 173.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -69.65 -21.05 63.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.632 -178.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -142.69 76.95 1.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.847 -178.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.422 ' HD2' ' HA ' ' A' ' 93' ' ' HIS . 67.2 m-70 -139.8 -54.78 0.55 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.626 176.376 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 28.0 m170 . . . . . 0 C--O 1.246 0.872 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.282 -174.079 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 . . . . . 0 N--CA 1.448 -0.557 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.577 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 97.9 mt-30 -116.05 123.47 48.02 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.876 -177.156 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.405 ' HE2' ' OD1' ' A' ' 46' ' ' ASN . 41.4 tttp -142.58 150.59 40.55 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 175.218 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -77.6 129.62 35.84 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.784 0.326 . . . . 0.0 110.373 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.2 m -130.34 171.13 18.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.803 -178.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.528 HG22 ' HG2' ' A' ' 68' ' ' GLN . 87.4 t -109.79 123.84 66.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.493 176.371 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.2 t -75.53 93.74 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 169.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.2 p -81.69 -57.14 3.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.85 -168.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -155.12 153.76 31.32 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.429 -173.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -84.26 145.76 28.13 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 173.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 15' ' ' ARG . 4.1 ttm180 -137.56 161.5 36.26 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -176.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -145.71 101.02 3.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.93 0.395 . . . . 0.0 110.405 178.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt . . . . . 0 C--N 1.32 -0.703 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.741 173.577 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? . . . . . 0 N--CA 1.455 -0.188 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -72.62 140.22 47.87 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.191 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.691 ' HG2' ' HG2' ' A' ' 54' ' ' ARG . 39.0 mt-10 -104.06 148.57 26.09 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.013 0.435 . . . . 0.0 110.506 -176.148 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.53 133.44 55.86 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.868 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.1 m -94.53 116.1 28.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.384 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -102.91 110.35 22.24 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 176.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -95.38 128.93 36.55 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.73 -176.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -67.5 132.17 26.52 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.502 2.135 . . . . 0.0 111.609 174.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.7 mt -62.36 -30.19 71.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.821 -177.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.405 ' OD1' ' HE2' ' A' ' 7' ' ' LYS . 4.3 p-10 -86.83 17.26 4.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.161 0.505 . . . . 0.0 111.645 -175.637 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.78 143.49 4.88 Favored Glycine 0 C--N 1.317 -0.527 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.563 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.29 179.23 24.98 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.022 177.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.7 mt -74.42 139.02 43.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.868 0.366 . . . . 0.0 110.599 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -65.98 133.07 50.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.805 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -82.87 100.67 10.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.7 m -90.68 101.73 14.48 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.463 -178.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -101.82 141.39 34.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.313 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.691 ' HG2' ' HG2' ' A' ' 39' ' ' GLU . 81.4 mtt-85 -85.88 130.09 34.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.441 -177.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.1 mt -123.91 162.88 22.43 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.886 -175.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -86.05 167.01 15.4 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 172.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.66 97.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.058 0.456 . . . . 0.0 110.645 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -67.8 -29.15 68.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.57 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -81.18 -43.61 19.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.928 -177.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -61.79 -30.3 70.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.2 0.524 . . . . 0.0 110.442 177.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -73.44 -7.52 52.09 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.331 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.28 -15.24 29.47 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -174.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.433 ' H ' HD23 ' A' ' 63' ' ' LEU . 2.0 pt? -125.35 168.9 12.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.936 0.398 . . . . 0.0 110.849 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.5 m -123.09 136.57 54.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.214 -176.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 55.7 t -69.2 129.85 33.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.508 176.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.84 -19.64 46.38 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.734 -176.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -73.62 96.71 2.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.358 0.599 . . . . 0.0 110.604 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.528 ' HG2' HG22 ' A' ' 10' ' ' VAL . 79.3 mt-30 -67.69 126.22 28.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.419 173.162 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.38 -178.06 35.0 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.387 -0.911 . . . . 0.0 112.212 -176.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.563 ' HB ' ' HB ' ' A' ' 82' ' ' VAL . 7.5 m -82.96 139.96 33.05 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.887 0.375 . . . . 0.0 110.621 -174.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.577 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 49.2 tp -117.26 126.13 52.24 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 179.301 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.9 m -102.94 106.72 17.32 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.791 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -140.37 160.13 40.66 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.155 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -124.81 92.31 3.62 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.59 -114.12 4.01 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 -173.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.4 p -103.9 1.43 31.34 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.097 0.475 . . . . 0.0 110.559 175.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 22.8 ttt85 -92.65 112.56 24.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.819 -176.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -70.92 126.94 30.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.812 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.1 t -103.45 -58.84 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.444 177.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -168.24 162.58 36.37 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.542 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -113.59 134.37 54.74 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.563 ' HB ' ' HB ' ' A' ' 70' ' ' THR . 48.4 t -114.13 97.75 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.902 0.382 . . . . 0.0 110.625 -177.421 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.891 176.981 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 . . . . . 0 N--CA 1.446 -0.628 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.605 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 97.0 mt-30 -124.9 135.96 53.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.803 -176.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -154.59 149.68 26.91 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.244 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.443 ' HA ' ' HA ' ' A' ' 70' ' ' THR . 84.9 mt-30 -80.91 125.4 30.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.12 0.485 . . . . 0.0 110.256 175.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.7 m -129.42 172.66 15.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.569 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.536 HG22 ' HG2' ' A' ' 68' ' ' GLN . 40.6 t -109.42 123.72 65.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.232 178.605 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.6 t -75.25 97.23 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 173.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.8 m -69.53 -50.87 40.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.751 -173.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -177.25 169.1 2.31 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -176.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -76.97 155.1 32.92 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.934 0.397 . . . . 0.0 109.992 176.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.695 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 3.0 mmp_? -121.79 145.86 47.63 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 174.372 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -135.97 94.4 3.05 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 -178.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.405 175.778 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.635 ' NE ' ' HA ' ' A' ' 37' ' ' ARG . 2.4 mmp_? . . . . . 0 N--CA 1.45 -0.438 0 CA-C-O 120.803 0.335 . . . . 0.0 110.732 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -125.93 138.18 53.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.727 177.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.702 ' HG2' ' HG2' ' A' ' 54' ' ' ARG . 32.3 mt-10 -127.09 161.04 29.39 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.613 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.5 132.04 56.23 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.82 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.6 t -99.77 114.21 27.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.014 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -102.81 123.61 46.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.534 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.539 ' HA ' ' HG2' ' A' ' 50' ' ' GLU . 4.2 ttmp? -95.04 124.09 55.27 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.248 -177.254 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 6.2 Cg_exo -74.96 113.61 3.84 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 123.154 2.569 . . . . 0.0 112.024 175.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.1 mt -63.59 -21.08 66.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.175 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -105.03 22.9 14.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.068 0.461 . . . . 0.0 110.889 -175.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.44 137.87 3.79 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.591 -0.732 . . . . 0.0 112.257 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.21 172.19 18.63 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 121.066 -0.588 . . . . 0.0 111.872 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.4 tp -80.76 129.89 34.77 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 176.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.539 ' HG2' ' HA ' ' A' ' 43' ' ' LYS . 46.2 mt-10 -59.97 138.63 57.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.957 0.408 . . . . 0.0 110.881 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -94.68 139.64 30.96 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.429 -176.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.3 m -123.62 117.51 25.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.656 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -120.29 136.84 54.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.222 178.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.702 ' HG2' ' HG2' ' A' ' 39' ' ' GLU . 61.0 mtm180 -79.51 134.27 36.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.207 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.2 mt -126.1 169.07 13.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.47 0.652 . . . . 0.0 111.987 -173.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.503 ' HB2' ' HG3' ' A' ' 59' ' ' GLN . 96.7 mt-30 -90.81 174.16 7.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.519 171.18 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.44 -44.76 86.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.261 0.553 . . . . 0.0 110.518 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -69.77 -21.61 63.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.994 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.503 ' HG3' ' HB2' ' A' ' 56' ' ' GLN . 92.3 mt-30 -84.04 -31.7 25.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.251 0.548 . . . . 0.0 109.7 176.142 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -68.07 -23.07 64.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.937 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -80.97 -10.31 59.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.481 176.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.15 -8.11 46.55 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -172.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -139.47 141.37 37.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.989 0.423 . . . . 0.0 111.096 179.228 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.4 m -110.4 139.32 45.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.204 -176.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 69.9 t -64.96 129.06 28.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.574 176.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.88 -25.0 25.83 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 121.011 -0.614 . . . . 0.0 111.936 -177.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -75.94 96.15 3.69 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.281 0.563 . . . . 0.0 110.447 -177.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.536 ' HG2' HG22 ' A' ' 10' ' ' VAL . 73.0 mt-30 -60.24 128.2 35.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.065 174.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.32 172.28 37.52 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.348 -0.93 . . . . 0.0 112.413 -177.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.443 ' HA ' ' HA ' ' A' ' 8' ' ' GLN . 22.9 m -82.72 141.26 32.54 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.034 0.445 . . . . 0.0 111.009 -175.407 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.605 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 61.2 tp -117.39 127.99 54.58 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.052 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.2 m -104.04 115.85 31.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.873 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.478 ' HA ' HG23 ' A' ' 79' ' ' VAL . 52.2 p90 -144.52 164.69 30.15 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.922 0.391 . . . . 0.0 110.686 178.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -131.83 111.86 11.98 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 177.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.71 -114.39 5.06 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.003 -1.094 . . . . 0.0 110.933 -174.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 37.5 p -117.29 13.96 14.68 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.711 0.291 . . . . 0.0 111.008 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 23.4 ttp180 -102.65 127.67 49.66 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.073 0.464 . . . . 0.0 111.329 -178.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -68.28 118.34 11.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.129 177.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.478 HG23 ' HA ' ' A' ' 73' ' ' TYR . 66.4 t -96.96 -46.85 12.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.805 0.336 . . . . 0.0 110.255 178.443 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 176.21 148.18 6.84 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.377 177.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -96.08 129.98 43.22 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 176.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 47.0 t -122.85 94.72 3.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.184 0.516 . . . . 0.0 110.65 -176.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.3 t . . . . . 0 C--N 1.319 -0.744 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 174.945 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 . . . . . 0 CA--C 1.515 -0.397 0 CA-C-O 120.926 0.393 . . . . 0.0 110.739 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.459 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 91.8 mt-30 -122.89 109.59 14.34 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.042 176.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -148.48 163.86 35.92 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.583 ' HA ' ' HA ' ' A' ' 70' ' ' THR . 82.6 mt-30 -86.22 134.24 33.79 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 121.019 0.438 . . . . 0.0 110.423 -178.741 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.616 HG12 ' HA ' ' A' ' 44' ' ' PRO . 31.6 m -131.38 169.65 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.081 -176.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.507 HG22 ' HG2' ' A' ' 68' ' ' GLN . 26.0 t -104.18 117.71 50.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.503 175.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.597 HG21 HD11 ' A' ' 63' ' ' LEU . 40.9 t -68.48 100.07 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 171.295 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.3 m -77.26 -54.76 6.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.053 -170.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -173.9 163.98 4.16 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -177.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -95.57 140.48 30.34 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 176.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -145.21 152.82 40.58 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.921 0.391 . . . . 0.0 110.678 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -112.4 102.4 10.53 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 176.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.1 mttm . . . . . 0 C--N 1.326 -0.43 0 CA-C-O 121.201 0.524 . . . . 0.0 111.411 -173.363 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.477 HH21 ' CD ' ' A' ' 39' ' ' GLU . 14.1 ptm180 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 121.102 0.477 . . . . 0.0 112.131 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -109.27 111.06 22.43 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 172.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.74 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 37.0 mt-10 -104.48 146.45 28.85 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.55 138.52 52.48 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 120.953 0.406 . . . . 0.0 110.608 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.8 m -94.62 117.57 30.34 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.223 178.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -102.87 119.26 38.53 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.818 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -103.5 106.49 52.16 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.052 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.616 ' HA ' HG12 ' A' ' 9' ' ' VAL . 43.4 Cg_exo -57.21 132.3 50.33 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.762 2.308 . . . . 0.0 112.047 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.7 mt -57.52 -55.8 30.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.331 -176.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -101.57 92.14 4.75 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.742 0.306 . . . . 0.0 111.449 -175.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.47 81.4 0.1 Allowed Glycine 0 N--CA 1.452 -0.261 0 CA-C-N 115.815 -0.63 . . . . 0.0 113.278 175.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.53 ' HA3' ' HB2' ' A' ' 44' ' ' PRO . . . -160.9 144.05 9.53 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.582 179.009 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.7 tp -90.19 157.26 17.8 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 177.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.43 120.6 10.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.009 0.433 . . . . 0.0 111.93 -177.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -101.47 130.13 47.66 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 170.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.433 HG22 ' HB3' ' A' ' 39' ' ' GLU . 13.3 m -107.31 128.57 54.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.783 0.325 . . . . 0.0 110.976 -175.706 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -122.92 136.67 54.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.594 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.74 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 77.0 ttt180 -74.11 118.34 16.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.846 178.087 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 78.7 mt -111.05 152.18 27.19 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.886 0.374 . . . . 0.0 111.394 -175.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -92.5 169.49 10.5 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 171.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.04 -43.62 78.03 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -177.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -60.78 -39.39 88.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.955 0.407 . . . . 0.0 110.812 -177.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -75.02 -28.97 60.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.691 -176.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -80.8 -33.57 34.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.67 178.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -64.48 -33.28 75.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.92 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.86 -3.33 59.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.046 0.45 . . . . 0.0 110.762 177.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.597 HD11 HG21 ' A' ' 11' ' ' VAL . 33.6 tp -103.05 142.78 33.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.378 -176.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.561 ' HB ' ' HB2' ' A' ' 67' ' ' ASP . 89.3 m -123.28 135.07 54.05 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.313 177.139 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 39.1 t -74.12 122.59 27.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.056 0.455 . . . . 0.0 110.144 177.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.02 -5.61 56.32 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 -174.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.561 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 21.5 t70 -76.64 94.23 3.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.31 0.576 . . . . 0.0 110.141 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.507 ' HG2' HG22 ' A' ' 10' ' ' VAL . 96.6 mt-30 -70.44 115.36 9.53 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.724 173.353 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.44 175.78 38.01 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.177 -176.104 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.583 ' HA ' ' HA ' ' A' ' 8' ' ' GLN . 11.5 m -78.79 135.62 37.14 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.095 0.474 . . . . 0.0 111.466 -173.375 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.459 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 58.0 tp -117.47 134.39 54.9 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.753 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.407 ' O ' ' HB ' ' A' ' 79' ' ' VAL . 40.6 t -122.42 122.53 39.2 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.848 -179.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.406 ' HA ' HG23 ' A' ' 79' ' ' VAL . 26.0 p90 -149.04 143.66 26.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.87 0.367 . . . . 0.0 110.439 179.184 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -122.77 126.23 47.04 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.672 -174.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.1 -114.19 6.53 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.487 -0.863 . . . . 0.0 110.997 -174.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 22.8 p -120.53 13.58 11.76 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.066 0.46 . . . . 0.0 110.622 175.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 77' ' ' ARG . 36.9 ttt-85 -108.36 138.72 44.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.129 0.49 . . . . 0.0 110.856 -176.644 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -73.57 121.86 21.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.33 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.407 ' HB ' ' O ' ' A' ' 72' ' ' SER . 86.6 t -91.31 -58.06 3.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.523 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -177.54 170.65 43.18 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.583 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -131.3 133.0 44.94 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 47.4 t -128.65 102.6 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.419 -178.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.2 m . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.581 177.764 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 . . . . . 0 N--CA 1.446 -0.64 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.489 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 94.2 mt-30 -116.25 127.71 54.97 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.123 -177.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -143.73 140.79 30.17 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 174.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.55 ' HA ' ' HA ' ' A' ' 70' ' ' THR . 75.8 mt-30 -76.83 130.0 37.03 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.122 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.2 m -133.33 177.67 6.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.672 -175.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.53 HG22 ' HG2' ' A' ' 68' ' ' GLN . 25.4 t -117.25 132.44 67.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.553 176.063 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.4 t -78.6 100.59 3.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 174.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.498 ' OG ' ' HB2' ' A' ' 43' ' ' LYS . 6.9 m -72.62 -65.72 0.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -168.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.492 ' HB3' HH11 ' A' ' 15' ' ' ARG . 17.8 t-20 -146.35 153.14 40.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.959 0.409 . . . . 0.0 110.739 -171.194 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.542 ' HD3' ' CZ ' ' A' ' 60' ' ' TYR . 18.7 ttpp -112.05 123.45 50.3 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.8 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.492 HH11 ' HB3' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -138.68 179.7 6.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.162 0.506 . . . . 0.0 110.354 176.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -131.87 105.28 7.35 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 170.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.455 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 62.1 mmtt . . . . . 0 C--N 1.322 -0.608 0 CA-C-O 121.012 0.434 . . . . 0.0 110.708 -175.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.9 mtm-85 . . . . . 0 CA--C 1.514 -0.436 0 CA-C-O 121.115 0.483 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.512 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 16.7 m-85 -115.24 101.81 9.29 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 173.175 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -103.37 123.38 46.72 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.165 -176.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.47 137.01 53.47 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.259 0.552 . . . . 0.0 111.474 -169.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.439 ' HA ' ' HA ' ' A' ' 52' ' ' THR . 15.7 m -95.56 132.72 40.38 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.979 177.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -102.76 132.63 48.79 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.242 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.502 ' HB3' ' HB ' ' A' ' 10' ' ' VAL . 55.0 tttp -95.32 111.63 55.82 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.957 -176.455 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.69 124.69 11.79 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.81 2.34 . . . . 0.0 112.066 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.3 mt -78.71 -12.02 60.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.054 0.454 . . . . 0.0 110.738 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -125.03 96.92 5.04 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 175.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.67 -140.18 15.65 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.708 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -155.39 -161.01 10.29 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.021 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 54.6 tp 64.67 98.54 0.04 OUTLIER 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.437 0.636 . . . . 0.0 111.236 -177.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -68.21 128.44 36.57 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.407 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -90.8 115.25 27.72 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.36 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 41' ' ' SER . 42.8 m -95.41 115.79 27.91 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.875 0.369 . . . . 0.0 110.274 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -113.34 137.6 51.27 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.967 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 51.8 mtt-85 -78.99 129.83 34.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.806 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' A' ' 38' ' ' TYR . 95.4 mt -122.29 141.62 51.33 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.174 0.511 . . . . 0.0 110.71 -178.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -80.95 171.8 14.54 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.3 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.75 -60.96 2.65 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -174.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -60.53 -23.06 64.28 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -177.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -72.65 -48.2 41.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.736 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.542 ' CZ ' ' HD3' ' A' ' 14' ' ' LYS . 88.6 t80 -64.19 -25.7 68.19 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.094 -179.264 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -53.42 -30.33 39.79 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.582 0.229 . . . . 0.0 111.441 177.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.82 3.56 52.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 0.0 111.406 -178.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -106.62 135.64 47.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.485 ' HB ' ' HB2' ' A' ' 67' ' ' ASP . 22.1 m -123.26 121.74 36.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.138 178.397 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.6 t -67.62 125.32 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.931 0.396 . . . . 0.0 110.683 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.16 -19.63 53.73 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.839 -0.618 . . . . 0.0 112.07 -176.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.485 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 19.8 t70 -75.81 98.76 4.24 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 122.636 -0.332 . . . . 0.0 110.279 -176.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.53 ' HG2' HG22 ' A' ' 10' ' ' VAL . 92.2 mt-30 -54.77 127.19 27.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.343 171.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.48 176.06 38.02 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.702 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.55 ' HA ' ' HA ' ' A' ' 8' ' ' GLN . 12.6 m -89.28 144.37 26.14 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.894 0.378 . . . . 0.0 110.547 -175.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.489 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 45.3 tp -117.33 118.99 33.78 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -178.205 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.3 m -101.55 108.33 19.87 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.813 178.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -133.02 157.85 44.2 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.589 -178.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.404 ' HG3' HG21 ' A' ' 79' ' ' VAL . 99.3 mttt -124.54 110.07 14.01 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.07 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.36 -114.47 6.53 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.312 -174.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 25.2 p -109.05 8.06 26.01 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.973 0.416 . . . . 0.0 111.191 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -107.75 124.34 49.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.135 0.493 . . . . 0.0 111.54 -174.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -65.73 124.21 21.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.32 175.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.404 HG21 ' HG3' ' A' ' 74' ' ' LYS . 59.1 t -99.71 -62.51 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.18 177.601 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -160.56 154.01 24.98 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.512 -0.852 . . . . 0.0 112.699 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -102.42 111.98 24.51 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 177.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 50.8 t -103.8 103.83 15.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.173 0.511 . . . . 0.0 110.73 -175.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 p . . . . . 0 C--N 1.318 -0.773 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.884 175.786 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 . . . . . 0 N--CA 1.446 -0.635 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.49 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 40.8 mt-30 -101.57 109.08 20.82 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 174.212 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -134.45 137.69 44.17 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.078 -174.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.476 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 78.1 mt-30 -76.35 107.58 8.71 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 173.487 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 22.8 m -115.22 165.67 10.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.417 -174.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.513 HG22 ' HG2' ' A' ' 68' ' ' GLN . 23.0 t -101.7 119.13 49.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.811 175.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.491 HG21 HD11 ' A' ' 63' ' ' LEU . 38.4 t -66.29 101.23 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 171.168 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.6 t -87.54 -63.51 1.29 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.191 -167.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -149.59 161.56 41.93 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -173.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.631 ' HD2' ' HD1' ' A' ' 38' ' ' TYR . 7.0 ttpm? -96.4 138.58 33.78 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.066 0.46 . . . . 0.0 110.028 177.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.441 ' NE ' ' HA ' ' A' ' 15' ' ' ARG . 2.3 mmp_? -122.25 103.16 8.57 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.825 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -88.68 100.24 12.96 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.8 mttp . . . . . 0 C--N 1.324 -0.507 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.187 173.68 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 69.1 mtm-85 . . . . . 0 N--CA 1.45 -0.467 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.631 ' HD1' ' HD2' ' A' ' 14' ' ' LYS . 77.2 m-85 -77.66 106.45 9.47 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.006 -173.372 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.798 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 42.5 mt-10 -103.26 154.51 19.27 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.69 142.31 47.79 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.571 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.563 ' HB3' ' HB3' ' A' ' 50' ' ' GLU . 24.7 m -94.0 119.98 33.62 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.764 175.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -102.75 112.68 25.58 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.196 0.522 . . . . 0.0 109.738 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.446 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 87.3 tttt -95.19 115.28 65.27 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.258 -175.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 18.3 Cg_exo -66.66 136.07 41.03 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.882 2.388 . . . . 0.0 112.255 -178.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.3 mt -66.72 -13.48 61.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.453 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -92.87 20.19 6.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.913 0.387 . . . . 0.0 110.656 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.23 87.59 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.367 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -150.65 177.49 28.67 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.225 -177.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.431 ' N ' HD12 ' A' ' 49' ' ' LEU . 6.1 mp -71.62 141.19 49.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.854 0.359 . . . . 0.0 110.573 -178.082 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.563 ' HB3' ' HB3' ' A' ' 41' ' ' SER . 41.3 mt-10 -72.36 115.57 11.77 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.409 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -82.3 139.85 33.92 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.488 HG22 ' HB3' ' A' ' 39' ' ' GLU . 8.9 m -113.33 113.99 26.02 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.539 -175.308 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -116.19 140.94 48.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.897 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.798 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 78.2 mtt85 -73.76 140.92 46.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.333 -178.136 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.2 mt -141.72 166.07 25.75 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.227 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -102.38 167.05 10.21 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.664 174.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.16 -40.39 73.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.868 0.366 . . . . 0.0 111.199 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -61.41 -49.34 77.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.709 177.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -65.25 -37.93 88.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.018 -179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.602 ' CZ ' ' HD3' ' A' ' 14' ' ' LYS . 70.5 t80 -66.36 -32.44 73.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.713 -178.411 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -95.15 -6.83 40.9 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.39 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.36 -8.0 57.12 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 167.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.491 HD11 HG21 ' A' ' 11' ' ' VAL . 55.6 tp -109.9 149.36 30.0 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 114.11 -1.405 . . . . 0.0 108.998 177.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.551 ' HB ' ' HB2' ' A' ' 67' ' ' ASP . 20.2 m -123.44 126.91 47.63 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.333 178.063 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 51.6 t -65.83 116.58 5.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.27 -15.31 30.38 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.473 -174.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.551 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 27.6 t0 -75.51 93.04 2.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.467 0.651 . . . . 0.0 109.888 178.401 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.513 ' HG2' HG22 ' A' ' 10' ' ' VAL . 81.7 mt-30 -76.98 119.41 20.67 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.072 178.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.476 ' O ' ' HA ' ' A' ' 8' ' ' GLN . . . -161.42 -171.36 27.35 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.032 -177.066 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.49 ' HB ' ' HB ' ' A' ' 82' ' ' VAL . 25.1 m -75.58 129.8 37.79 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.095 0.474 . . . . 0.0 111.339 -175.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.49 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 53.6 tp -117.28 127.33 53.97 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 174.251 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.452 ' O ' ' HB ' ' A' ' 79' ' ' VAL . 22.3 m -117.59 117.9 30.68 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.204 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.414 ' HA ' HG23 ' A' ' 79' ' ' VAL . 25.9 p90 -144.07 135.28 25.56 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.186 0.517 . . . . 0.0 110.259 179.222 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -102.52 107.46 18.43 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.765 -174.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.75 -114.51 4.41 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.231 -0.985 . . . . 0.0 110.914 -174.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.7 m -117.08 15.79 15.03 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.47 0.653 . . . . 0.0 109.747 175.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 -105.74 125.8 51.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.625 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -68.78 123.53 21.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.588 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.452 ' HB ' ' O ' ' A' ' 72' ' ' SER . 97.8 t -96.27 -59.1 3.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.8 0.333 . . . . 0.0 110.131 177.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -177.13 159.54 25.93 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.553 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -110.7 131.8 54.74 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.49 ' HB ' ' HB ' ' A' ' 70' ' ' THR . 42.7 t -118.22 98.01 6.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.407 -177.079 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.9 m . . . . . 0 C--N 1.323 -0.571 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.685 177.857 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 . . . . . 0 N--CA 1.447 -0.597 0 CA-C-O 121.313 0.578 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.554 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 97.0 mt-30 -112.35 109.99 19.94 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.335 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.509 ' HD3' ' N ' ' A' ' 8' ' ' GLN . 6.4 tmtm? -126.73 133.82 50.8 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -178.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.509 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 90.8 mt-30 -79.33 123.25 27.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.126 0.488 . . . . 0.0 110.541 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.493 HG12 ' HA ' ' A' ' 44' ' ' PRO . 15.4 m -133.91 171.04 18.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.166 -176.167 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.577 HG22 ' HG2' ' A' ' 68' ' ' GLN . 3.1 t -103.65 137.39 32.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.583 176.556 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.404 ' HB ' ' HA ' ' A' ' 65' ' ' VAL . 42.5 t -87.98 100.3 10.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 173.535 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.3 m -73.85 -61.71 1.75 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.669 -174.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -165.54 174.13 10.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.432 -176.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -93.98 160.74 14.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.269 176.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -151.87 143.32 23.45 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.18 174.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -110.77 123.15 49.51 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 173.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.454 ' HB2' ' NH2' ' A' ' 37' ' ' ARG . 43.5 mttp . . . . . 0 C--N 1.324 -0.503 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 173.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.454 ' NH2' ' HB2' ' A' ' 17' ' ' LYS . 3.3 tmm_? . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -105.27 124.68 49.95 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.226 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.799 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 41.8 mt-10 -105.68 163.9 12.33 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.015 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.5 ' O ' ' HA ' ' A' ' 52' ' ' THR . . . -123.91 143.62 50.27 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.657 0.265 . . . . 0.0 111.099 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.5 m -94.65 119.54 33.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.159 177.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -102.98 117.33 34.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.381 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.454 ' HB3' ' HB ' ' A' ' 10' ' ' VAL . 87.0 tttt -95.38 118.79 66.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.684 -175.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.493 ' HA ' HG12 ' A' ' 9' ' ' VAL . 21.3 Cg_exo -66.1 129.31 21.47 Favored 'Trans proline' 0 CA--C 1.53 0.285 0 C-N-CA 122.972 2.448 . . . . 0.0 112.506 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.13 -31.67 72.87 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.339 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -95.59 18.61 12.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.439 0.638 . . . . 0.0 110.47 -177.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.68 149.67 15.05 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.037 -177.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.32 179.96 25.62 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.3 mt -83.13 134.87 34.97 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.934 0.397 . . . . 0.0 110.396 177.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -68.32 114.54 6.87 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.762 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -82.49 128.92 34.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.226 -178.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 28.3 m -103.84 104.03 13.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.737 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -100.02 144.77 28.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.799 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 0.9 OUTLIER -74.42 134.77 42.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.029 -177.378 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.8 mt -132.54 179.73 5.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.267 178.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.453 ' H ' ' HB3' ' A' ' 59' ' ' GLN . 83.4 mt-30 -119.27 178.83 4.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.092 173.21 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.61 -51.17 69.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.488 -177.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -69.0 -26.79 65.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.246 -179.117 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.453 ' HB3' ' H ' ' A' ' 56' ' ' GLN . 23.8 tp60 -73.09 -45.27 58.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.079 178.512 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -66.93 -22.93 65.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.1 0.476 . . . . 0.0 110.148 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -65.78 -19.86 66.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.532 176.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -102.91 -0.65 30.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.031 0.443 . . . . 0.0 110.755 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.417 HD23 ' O ' ' A' ' 59' ' ' GLN . 2.9 mm? -88.69 107.27 18.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.568 -179.557 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.8 m -86.2 100.48 12.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.109 0.48 . . . . 0.0 110.515 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.404 ' HA ' ' HB ' ' A' ' 11' ' ' VAL . 53.3 t -60.96 135.96 25.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.283 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.45 -32.13 4.58 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.299 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -78.83 97.26 5.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.282 0.563 . . . . 0.0 110.673 -174.171 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.577 ' HG2' HG22 ' A' ' 10' ' ' VAL . 60.7 mt-30 -47.68 131.89 14.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.554 -1.203 . . . . 0.0 110.433 173.437 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 1.106 ' HA3' ' HA ' ' A' ' 83' ' ' SER . . . -161.42 -172.93 29.43 Favored Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 120.23 -0.986 . . . . 0.0 112.599 -177.727 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.3 m -91.11 134.28 34.66 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.977 0.418 . . . . 0.0 111.297 -173.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.554 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 60.3 tp -117.38 122.14 43.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.871 179.212 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.0 m -107.79 112.59 25.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.455 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -142.16 164.66 29.57 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.644 177.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -134.82 98.57 4.07 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.49 -114.28 4.08 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.282 -175.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.3 p -104.6 0.16 28.29 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.909 0.385 . . . . 0.0 111.096 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 77' ' ' ARG . 32.2 ttt180 -92.71 118.54 31.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.244 -177.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -72.44 123.69 23.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.597 173.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.6 t -101.67 -50.62 9.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.643 0.259 . . . . 0.0 110.536 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -178.17 147.79 8.18 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.397 178.3 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -121.09 127.4 51.61 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 177.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 66.9 t -135.13 102.02 3.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.605 -0.516 . . . . 0.0 109.605 178.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . 1.106 ' HA ' ' HA3' ' A' ' 69' ' ' GLY . 20.3 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 121.289 0.566 . . . . 0.0 109.906 177.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 . . . . . 0 N--CA 1.448 -0.541 0 CA-C-O 121.118 0.485 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -100.62 123.92 45.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 -178.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.503 ' HB2' ' NZ ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -130.17 134.42 47.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.789 178.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 33.3 tt0 -80.61 113.45 18.81 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.498 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.488 HG12 ' HA ' ' A' ' 44' ' ' PRO . 33.8 m -122.18 165.49 17.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.384 -174.113 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.518 HG22 ' HG2' ' A' ' 68' ' ' GLN . 39.2 t -107.68 119.7 57.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.942 175.26 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.44 HG12 HG22 ' A' ' 65' ' ' VAL . 31.6 t -76.23 96.42 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 172.437 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.3 m -66.13 -53.01 43.03 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.35 -175.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -166.85 176.98 6.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.185 0.517 . . . . 0.0 111.437 -175.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.534 ' HB3' ' NZ ' ' A' ' 14' ' ' LYS . 5.2 ttpm? -100.89 111.28 23.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.666 175.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.585 ' HB2' HG21 ' A' ' 52' ' ' THR . 66.3 mtt180 -104.14 142.27 34.79 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.012 0.434 . . . . 0.0 110.342 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -120.64 110.56 16.56 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.896 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.41 ' HG3' ' OE1' ' A' ' 39' ' ' GLU . 34.0 mttp . . . . . 0 C--N 1.325 -0.491 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.245 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.856 ' HD3' ' HD2' ' A' ' 54' ' ' ARG . 94.8 mtt180 . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 120.795 0.331 . . . . 0.0 110.512 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.427 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 48.9 m-85 -91.97 128.18 37.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.334 -177.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.826 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 46.7 mt-10 -111.78 159.38 18.34 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.613 ' O ' ' HA ' ' A' ' 52' ' ' THR . . . -120.34 138.89 53.47 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.643 0.258 . . . . 0.0 110.991 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.2 m -94.3 113.65 25.59 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.733 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -102.84 108.65 19.95 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.863 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.591 ' HB2' ' HG2' ' A' ' 50' ' ' GLU . 88.7 tttt -95.29 109.81 47.05 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.672 178.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.488 ' HA ' HG12 ' A' ' 9' ' ' VAL . 59.1 Cg_endo -73.53 139.73 28.85 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.414 2.076 . . . . 0.0 112.113 -178.424 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.3 mt -71.37 -30.31 65.99 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.37 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -142.72 82.97 1.79 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.786 173.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -162.59 -44.09 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.233 -0.984 . . . . 0.0 113.012 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.38 -140.58 8.22 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.329 -177.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.409 ' HG ' ' N ' ' A' ' 50' ' ' GLU . 36.7 tp -78.33 164.14 25.1 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.091 0.472 . . . . 0.0 111.542 -174.493 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.591 ' HG2' ' HB2' ' A' ' 43' ' ' LYS . 34.0 mt-10 -63.46 120.39 11.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.315 177.623 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -100.39 111.36 23.62 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.902 0.382 . . . . 0.0 110.411 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.613 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 27.2 m -92.88 106.36 18.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.751 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -104.64 152.51 22.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.787 -178.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.856 ' HD2' ' HD3' ' A' ' 37' ' ' ARG . 69.2 ttp85 -75.86 134.25 40.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.742 -175.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 76.6 mt -125.36 169.04 12.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.67 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -86.34 170.0 12.43 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 171.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.86 -36.56 72.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.45 0.643 . . . . 0.0 109.324 175.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -71.96 -35.71 69.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.435 177.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -69.07 -33.03 72.91 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.388 176.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.506 ' CZ ' ' HD3' ' A' ' 14' ' ' LYS . 43.5 t80 -63.54 -35.46 80.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.165 175.52 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -65.63 -23.66 66.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.35 175.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -99.65 12.27 37.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.11 0.481 . . . . 0.0 110.952 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.0 tp -102.98 146.58 28.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.105 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.516 ' HB ' ' HB3' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -123.21 98.28 5.8 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.925 0.393 . . . . 0.0 111.172 179.787 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.44 HG22 HG12 ' A' ' 11' ' ' VAL . 27.3 t -68.9 128.9 33.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.948 0.404 . . . . 0.0 110.845 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.94 -20.87 42.86 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.115 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.516 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 27.5 t70 -81.79 90.96 6.42 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -178.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.518 ' HG2' HG22 ' A' ' 10' ' ' VAL . 72.2 mt-30 -55.78 124.11 16.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.859 177.076 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 8' ' ' GLN . . . -161.28 -170.86 26.52 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.291 -0.957 . . . . 0.0 112.395 -174.521 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.5 m -91.13 134.91 34.15 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.248 0.547 . . . . 0.0 111.559 -171.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.4 tp -117.36 117.86 30.65 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.846 178.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.7 p -94.72 112.0 23.76 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.959 176.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.436 ' HE2' ' HB3' ' A' ' 7' ' ' LYS . 39.2 p90 -135.96 151.97 50.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.198 0.523 . . . . 0.0 111.111 -177.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -118.78 93.97 4.29 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 174.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.24 -114.76 3.91 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -172.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 29.7 p -111.37 7.99 21.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.275 0.559 . . . . 0.0 110.335 174.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 77' ' ' ARG . 32.6 ttm180 -88.49 117.97 27.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.935 -179.027 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -69.43 112.63 6.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.087 -0.961 . . . . 0.0 110.117 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.7 t -91.94 -39.32 11.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.327 0.584 . . . . 0.0 109.673 177.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 174.75 149.64 7.3 Favored Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.88 177.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -108.73 118.21 36.19 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 176.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 41.8 t -101.89 96.21 4.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.792 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.478 ' HB3' ' OD2' ' A' ' 67' ' ' ASP . 11.3 m . . . . . 0 C--N 1.322 -0.614 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.156 176.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 . . . . . 0 N--CA 1.445 -0.698 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -97.95 110.37 22.95 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.161 177.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -129.39 135.07 48.24 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.45 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 72.4 mt-30 -76.01 130.34 38.25 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.172 0.511 . . . . 0.0 110.247 176.265 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.4 m -126.66 165.45 24.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.645 -178.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.485 HG22 ' HG2' ' A' ' 68' ' ' GLN . 41.0 t -101.54 122.17 53.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.18 177.123 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.0 t -72.03 96.46 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 172.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.673 ' HB3' ' HB2' ' A' ' 41' ' ' SER . 29.6 t -71.99 -56.25 5.99 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.636 -172.492 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -171.75 -176.36 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 -177.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -100.21 141.33 33.2 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 174.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -125.01 169.35 12.2 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -146.93 104.85 3.74 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.283 -176.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.5 mttp . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.094 173.386 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.2 mtt85 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -65.47 148.31 51.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.657 -175.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.775 ' HG2' ' HG2' ' A' ' 54' ' ' ARG . 45.5 mt-10 -103.57 155.42 18.55 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.084 -178.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.62 139.85 51.54 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.836 174.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.673 ' HB2' ' HB3' ' A' ' 12' ' ' SER . 4.1 m -94.19 115.78 28.1 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.488 -179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -102.7 106.36 16.98 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.496 ' HG3' ' HG2' ' A' ' 50' ' ' GLU . 46.7 tttp -95.47 115.57 65.58 Favored Pre-proline 0 C--N 1.318 -0.763 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.402 -174.541 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -63.64 132.29 34.74 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.521 2.147 . . . . 0.0 111.578 178.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 44.3 mt -60.9 -60.22 4.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.503 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -120.84 81.17 1.73 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 174.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.76 -119.43 0.78 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.736 -176.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -150.67 -136.31 2.51 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.379 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.1 tp -49.19 136.15 15.64 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 122.999 0.519 . . . . 0.0 111.75 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.496 ' HG2' ' HG3' ' A' ' 43' ' ' LYS . 27.2 mt-10 -72.21 130.05 39.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.361 -178.405 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -86.91 117.89 25.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.885 0.374 . . . . 0.0 110.094 -179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.493 HG22 ' HB3' ' A' ' 39' ' ' GLU . 18.2 m -105.55 108.93 20.71 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.475 179.011 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -108.81 144.21 36.98 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.159 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.775 ' HG2' ' HG2' ' A' ' 39' ' ' GLU . 27.0 mtm180 -78.03 140.5 39.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.144 179.168 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.4 mt -123.31 177.82 5.42 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.08 -176.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.54 ' HB2' ' HG2' ' A' ' 59' ' ' GLN . 80.3 mt-30 -107.52 174.37 5.91 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.193 175.289 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.34 -48.13 83.09 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.96 0.409 . . . . 0.0 110.662 177.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -65.55 -30.86 71.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.032 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.54 ' HG2' ' HB2' ' A' ' 56' ' ' GLN . 80.0 mm-40 -70.24 -44.55 68.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.425 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -71.58 -19.56 62.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.22 0.533 . . . . 0.0 110.32 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -70.05 -21.96 63.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.194 175.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -101.0 -40.22 7.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.543 177.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.24 97.5 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.212 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 44.3 m -88.71 122.99 32.71 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.426 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.35 128.98 22.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.122 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.97 -18.26 57.05 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.141 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -77.88 94.73 4.6 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.323 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.485 ' HG2' HG22 ' A' ' 10' ' ' VAL . 67.5 mt-30 -65.14 128.52 36.14 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.323 174.49 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.45 ' O ' ' HA ' ' A' ' 8' ' ' GLN . . . -161.29 176.46 37.84 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.163 -1.018 . . . . 0.0 112.684 -175.006 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.7 m -77.22 133.54 38.86 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.116 0.484 . . . . 0.0 111.681 -172.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.1 tp -117.36 119.26 34.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.004 177.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.444 ' O ' ' HB ' ' A' ' 79' ' ' VAL . 27.3 m -98.67 109.42 22.18 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.562 178.126 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -140.55 155.16 46.69 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.916 0.389 . . . . 0.0 110.691 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -125.38 95.53 4.5 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.643 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.99 -114.22 5.96 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.38 -0.914 . . . . 0.0 111.297 -174.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.7 p -96.08 -6.21 39.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.084 0.469 . . . . 0.0 110.829 176.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -79.94 107.73 12.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.026 -178.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -73.13 114.35 11.2 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 173.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.444 ' HB ' ' O ' ' A' ' 72' ' ' SER . 59.9 t -94.2 -48.79 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.655 -178.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 173.26 148.24 6.27 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.184 -1.008 . . . . 0.0 113.171 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -101.17 129.18 47.04 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 175.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 38.3 t -126.61 114.34 37.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.924 0.392 . . . . 0.0 110.916 -175.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.9 t . . . . . 0 C--N 1.321 -0.64 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 174.917 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 . . . . . 0 N--CA 1.443 -0.812 0 CA-C-O 121.161 0.505 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.684 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 89.7 mt-30 -105.78 120.27 41.27 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.372 174.546 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -139.92 158.42 44.1 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.115 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.486 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 87.9 mt-30 -88.12 112.55 22.81 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 173.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 m -121.29 176.01 4.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.461 -175.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.3 t -114.04 129.95 69.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.094 178.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.6 t -84.17 98.08 5.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 173.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 m -72.26 -57.64 4.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.041 -173.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -162.34 163.23 28.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.046 -173.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.0 pttt -95.99 158.02 15.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.811 0.339 . . . . 0.0 110.628 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.6 mtt-85 -142.32 170.09 16.36 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 175.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.437 ' HG3' ' HB2' ' A' ' 37' ' ' ARG . 37.9 tt0 -146.87 99.17 3.15 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 169.383 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt . . . . . 0 C--N 1.32 -0.691 0 CA-C-O 120.979 0.419 . . . . 0.0 110.313 174.994 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.437 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 75.6 mtt180 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -136.95 119.39 15.82 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.904 0.383 . . . . 0.0 110.25 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.83 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 35.2 mt-10 -103.48 150.47 23.85 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.01 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.57 137.2 53.4 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.769 0.319 . . . . 0.0 110.395 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.3 m -94.36 114.79 26.89 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.839 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -103.36 112.64 25.63 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.341 0.591 . . . . 0.0 109.807 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 85.8 tttt -98.65 128.52 32.5 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.383 -175.617 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 9.2 Cg_exo -72.46 145.09 41.9 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.088 2.526 . . . . 0.0 111.982 175.722 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.9 mt -94.32 -10.46 32.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.95 -178.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -112.37 28.9 8.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.033 0.444 . . . . 0.0 110.706 -175.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.58 133.19 4.92 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.779 -177.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.3 167.88 14.37 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.095 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.5 mt -86.06 150.48 24.42 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 177.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -69.43 125.34 26.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.405 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -93.53 114.21 26.51 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 177.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 25.0 m -99.89 109.55 21.93 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.979 0.419 . . . . 0.0 110.244 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -104.28 135.41 45.8 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.493 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.83 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 0.8 OUTLIER -74.75 131.63 40.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.717 178.888 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.2 mt -121.09 157.92 29.03 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.096 -176.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -83.82 155.74 22.83 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.372 -0.831 . . . . 0.0 108.873 174.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.1 -35.74 67.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.019 0.438 . . . . 0.0 111.443 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -70.62 -19.45 62.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.143 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -89.28 -46.37 8.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.924 178.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.417 ' HA ' ' HB2' ' A' ' 63' ' ' LEU . 69.5 t80 -66.25 -18.57 65.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.719 -178.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -61.88 -22.67 65.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.037 177.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -107.65 -2.41 20.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.213 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.417 ' HB2' ' HA ' ' A' ' 60' ' ' TYR . 2.0 mm? -78.36 133.68 37.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.1 0.476 . . . . 0.0 110.951 -176.546 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.443 ' HB ' ' HB2' ' A' ' 67' ' ' ASP . 15.1 m -123.09 116.59 23.72 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.749 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.64 127.52 26.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.972 0.415 . . . . 0.0 110.366 176.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.91 -15.64 62.66 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.262 -177.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.443 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 22.5 t70 -75.65 96.78 3.64 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.148 0.499 . . . . 0.0 110.386 -178.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -64.59 122.18 16.21 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.255 172.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.486 ' O ' ' HA ' ' A' ' 8' ' ' GLN . . . -161.29 -170.8 26.45 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.334 -173.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.9 m -92.42 131.83 37.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.131 0.491 . . . . 0.0 111.592 -171.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.684 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 64.4 tp -117.37 125.67 51.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.164 178.541 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.5 m -108.67 104.85 14.23 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 176.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -134.24 144.29 48.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.027 0.442 . . . . 0.0 110.145 176.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -110.64 102.07 10.67 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.647 -175.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.45 -114.26 5.06 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.426 -0.892 . . . . 0.0 111.313 -176.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.5 p -109.56 11.13 24.95 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.253 0.549 . . . . 0.0 110.577 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -108.31 111.62 23.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.204 -176.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -62.97 130.79 46.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.394 178.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 88.3 t -106.64 -57.44 4.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -168.88 142.67 7.53 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.395 -0.907 . . . . 0.0 112.802 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -112.74 136.81 51.91 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 176.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 48.7 t -122.3 104.49 14.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.635 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.0 m . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 169.933 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 . . . . . 0 N--CA 1.449 -0.503 0 CA-C-O 120.906 0.384 . . . . 0.0 110.054 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 97.1 mt-30 -106.85 113.36 26.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.643 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -116.53 137.37 52.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.16 176.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.466 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 85.1 mt-30 -89.38 103.15 15.8 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 171.125 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.8 m -108.56 167.51 3.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.964 -171.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.76 ' HB ' ' HB3' ' A' ' 43' ' ' LYS . 46.4 t -101.66 120.34 51.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.24 178.005 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 38.9 t -73.33 93.96 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 169.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.3 p -71.09 -45.92 62.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.936 -170.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -178.09 160.3 1.39 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.77 0.319 . . . . 0.0 110.275 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.424 ' HD3' ' OH ' ' A' ' 60' ' ' TYR . 24.0 pttm -70.91 146.82 49.32 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 170.041 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.487 ' O ' ' HB2' ' A' ' 39' ' ' GLU . 26.8 ttm180 -158.11 155.1 28.58 Favored 'General case' 0 C--N 1.312 -1.06 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.105 -178.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -142.84 112.37 6.8 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 173.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp . . . . . 0 C--N 1.323 -0.585 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 172.054 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? . . . . . 0 CA--C 1.519 -0.215 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -106.94 104.15 13.76 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.91 0.386 . . . . 0.0 110.289 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.885 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 32.1 mt-10 -103.66 153.63 20.42 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.52 135.31 54.47 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.037 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.1 t -97.38 122.43 40.41 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.445 -177.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -103.0 124.45 48.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.22 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.76 ' HB3' ' HB ' ' A' ' 10' ' ' VAL . 28.0 tptp -95.02 115.6 65.55 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.039 -176.359 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -75.33 139.43 23.45 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.623 2.215 . . . . 0.0 111.46 174.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.1 mt -92.41 -12.83 31.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.083 0.468 . . . . 0.0 110.978 -177.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -93.87 25.11 3.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.275 -171.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.75 117.93 0.47 Allowed Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.172 -178.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.33 171.17 17.69 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.493 -0.86 . . . . 0.0 112.376 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.9 mt -85.0 160.12 20.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.729 0.299 . . . . 0.0 110.435 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -65.78 142.86 57.82 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.483 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -100.64 106.76 18.27 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.596 173.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.7 m -93.09 120.72 33.69 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.298 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -113.21 138.15 50.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.809 0.338 . . . . 0.0 111.054 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.885 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 51.4 ttp180 -74.04 127.06 31.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.695 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.4 mt -123.64 161.14 25.65 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.019 0.438 . . . . 0.0 111.056 -178.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -93.96 175.76 6.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.764 173.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.71 -52.8 64.15 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -173.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -66.7 -31.92 72.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.112 -177.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -67.24 -43.89 80.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.95 0.405 . . . . 0.0 109.995 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.424 ' OH ' ' HD3' ' A' ' 14' ' ' LYS . 79.8 t80 -62.91 -28.99 70.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.225 179.044 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 56.3 m170 -60.34 -29.59 68.99 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.727 0.299 . . . . 0.0 111.151 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.3 -29.0 23.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.959 0.409 . . . . 0.0 110.974 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -72.5 105.37 4.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.356 0.598 . . . . 0.0 111.085 -178.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.9 m -98.97 118.81 36.6 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.443 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.89 131.68 28.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.008 0.432 . . . . 0.0 111.179 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.76 -19.32 49.05 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.188 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -80.43 91.55 5.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.232 0.539 . . . . 0.0 109.943 -177.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -64.71 138.13 58.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.035 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.815 ' HA3' ' HA ' ' A' ' 83' ' ' SER . . . -161.43 -177.93 34.94 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.467 -178.297 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.9 m -90.57 140.14 30.03 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.01 0.433 . . . . 0.0 110.82 -174.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 66.0 tp -117.34 128.25 54.86 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.182 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.5 t -99.69 100.65 11.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.561 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -132.33 143.11 49.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.165 0.507 . . . . 0.0 110.649 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -136.72 110.62 8.2 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 176.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.24 -114.89 3.91 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.261 -0.971 . . . . 0.0 110.692 -172.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.5 t -126.02 -5.5 6.77 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.914 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 77' ' ' ARG . 22.0 ttt180 -86.21 131.29 34.27 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.203 0.525 . . . . 0.0 111.149 -178.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -68.84 112.82 5.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.873 175.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.0 t -87.13 -52.65 11.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.171 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -171.98 170.61 43.56 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.853 178.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' A' ' 83' ' ' SER . 79.4 t80 -137.07 120.61 17.14 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 45.7 t -124.39 93.59 2.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.619 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.815 ' HA ' ' HA3' ' A' ' 69' ' ' GLY . 8.7 t . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.048 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.515 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 94.9 mt-30 -128.25 126.64 41.3 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.279 -177.057 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -137.29 146.83 45.16 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.31 171.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 91.3 mt-30 -80.19 121.76 25.99 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 174.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.531 HG21 ' HB3' ' A' ' 42' ' ' PHE . 16.8 m -125.1 164.83 23.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.798 -177.235 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.573 HG22 ' HG2' ' A' ' 68' ' ' GLN . 26.3 t -101.86 123.76 55.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.496 177.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.2 t -76.07 85.15 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 170.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.2 m -77.09 -52.25 9.62 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -169.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -148.36 157.09 43.26 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.405 -171.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.562 ' HD3' ' OH ' ' A' ' 60' ' ' TYR . 54.6 pttt -93.29 148.71 21.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.53 176.014 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.48 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 5.9 mmm180 -134.21 167.63 20.34 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.713 0.292 . . . . 0.0 110.885 -175.441 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -146.72 105.12 3.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.164 177.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt . . . . . 0 C--N 1.321 -0.632 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 169.964 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.1 mtt85 . . . . . 0 N--CA 1.448 -0.568 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -72.98 176.27 5.89 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.529 -177.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.48 ' HB2' ' HB2' ' A' ' 15' ' ' ARG . 53.9 mt-10 -132.34 148.12 52.42 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 174.395 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.19 128.7 48.76 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.413 ' OG ' ' HG3' ' A' ' 15' ' ' ARG . 54.2 m -94.39 121.21 35.69 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.211 0.529 . . . . 0.0 110.347 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.531 ' HB3' HG21 ' A' ' 9' ' ' VAL . 88.9 m-85 -102.6 116.79 33.3 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.398 -0.819 . . . . 0.0 108.973 177.674 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.479 ' HA ' ' HG3' ' A' ' 50' ' ' GLU . 86.9 tttt -94.86 119.92 65.32 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.117 -171.603 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 26.7 Cg_exo -62.66 136.33 57.61 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 123.061 2.507 . . . . 0.0 111.485 176.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.7 mt -72.6 -25.42 61.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.675 -176.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -93.57 16.28 14.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.397 0.617 . . . . 0.0 110.522 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.39 158.56 7.14 Favored Glycine 0 C--N 1.317 -0.483 0 CA-C-N 115.266 -0.879 . . . . 0.0 112.632 -177.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.35 -147.29 17.51 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.478 177.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.7 tp -98.34 121.62 40.5 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 174.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.479 ' HG3' ' HA ' ' A' ' 43' ' ' LYS . 2.2 mp0 -59.43 128.5 37.35 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.446 179.664 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.47 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 57.1 mttp -82.32 102.92 11.53 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.902 -178.16 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.447 HG22 ' HB3' ' A' ' 39' ' ' GLU . 19.0 m -98.97 107.46 19.89 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.416 -178.567 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.47 ' CE2' ' HB3' ' A' ' 51' ' ' LYS . 92.5 m-85 -105.86 134.24 49.3 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.537 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.443 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 35.7 ttp180 -77.45 126.4 30.85 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.927 177.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.1 mt -123.87 162.99 22.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.17 -172.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -84.91 160.2 20.17 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 175.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.07 -47.29 65.24 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -177.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -63.85 -33.54 75.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.93 0.395 . . . . 0.0 111.441 -178.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -76.22 -37.88 57.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.429 -178.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.562 ' OH ' ' HD3' ' A' ' 14' ' ' LYS . 48.4 t80 -67.51 -22.87 65.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.355 176.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -85.73 -19.63 30.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.647 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.6 -52.46 8.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.89 -177.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.5 pp -90.26 142.37 27.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.984 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.3 m -111.71 143.21 42.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.956 0.407 . . . . 0.0 111.699 -171.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.5 t -62.34 132.74 28.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.575 175.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.15 -9.14 76.98 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.945 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -79.69 93.45 5.54 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.209 0.528 . . . . 0.0 110.526 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.573 ' HG2' HG22 ' A' ' 10' ' ' VAL . 81.1 mt-30 -67.24 117.58 9.45 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.434 173.446 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 8' ' ' GLN . . . -161.31 179.58 36.64 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.275 -0.964 . . . . 0.0 112.937 -175.623 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.2 m -79.91 136.13 36.59 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.08 0.467 . . . . 0.0 111.505 -172.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.515 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 60.4 tp -117.33 122.6 44.35 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.5 m -103.4 119.57 39.14 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.22 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.497 ' HA ' HG23 ' A' ' 79' ' ' VAL . 39.8 p90 -149.13 162.43 40.0 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.75 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -128.97 101.11 5.92 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.364 176.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.27 -114.03 5.76 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.536 -0.84 . . . . 0.0 111.461 -176.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.2 p -96.16 -7.58 35.44 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.898 0.38 . . . . 0.0 111.356 178.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 38.3 ttt85 -86.67 115.73 24.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.109 0.48 . . . . 0.0 111.883 -173.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -70.24 109.1 4.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.221 -0.899 . . . . 0.0 109.564 173.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.497 HG23 ' HA ' ' A' ' 73' ' ' TYR . 57.6 t -86.96 -45.64 16.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.815 0.341 . . . . 0.0 110.29 -178.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 168.49 148.18 5.64 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.64 177.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -95.54 132.43 40.67 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.152 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 48.2 t -116.45 106.28 19.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.4 t . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.98 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 . . . . . 0 N--CA 1.449 -0.475 0 CA-C-O 120.774 0.321 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.476 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 93.4 mt-30 -116.53 109.26 17.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.189 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.7 tttm -134.52 165.04 26.12 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -87.7 116.74 26.04 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.413 HG21 HD22 ' A' ' 71' ' ' LEU . 35.0 m -124.69 164.74 22.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.984 0.421 . . . . 0.0 110.752 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.537 HG22 ' HG2' ' A' ' 68' ' ' GLN . 21.7 t -106.74 122.57 60.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.426 177.393 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.2 t -74.73 97.51 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 170.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.3 p -78.31 -55.43 5.25 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.459 0.541 . . . . 0.0 112.459 -168.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -157.81 169.07 25.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.128 0.489 . . . . 0.0 111.552 -176.229 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 39' ' ' GLU . 27.0 ttpp -87.3 147.06 25.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.414 174.131 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.781 ' HD3' HG21 ' A' ' 52' ' ' THR . 64.6 ttt180 -127.24 161.99 27.26 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.335 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -146.8 102.71 3.57 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.866 -175.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.504 ' HG3' ' OE1' ' A' ' 39' ' ' GLU . 60.4 mttp . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.373 176.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 . . . . . 0 N--CA 1.45 -0.444 0 CA-C-O 121.155 0.502 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -110.78 130.05 55.68 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 175.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.59 ' HG2' ' HG2' ' A' ' 54' ' ' ARG . 42.7 mt-10 -103.33 147.47 27.04 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.091 -177.345 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.56 132.06 56.21 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.3 t -94.75 121.7 36.6 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -102.65 111.71 24.15 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.933 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.457 ' HA ' ' HG2' ' A' ' 50' ' ' GLU . 40.3 tttp -95.18 115.34 65.33 Favored Pre-proline 0 C--N 1.317 -0.835 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.07 -176.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -70.64 141.34 41.41 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.471 2.114 . . . . 0.0 111.745 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.6 mt -72.22 -14.56 61.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.34 0.591 . . . . 0.0 109.805 175.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -93.65 106.88 18.82 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 169.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -38.17 123.4 1.29 Allowed Glycine 0 CA--C 1.518 0.277 0 O-C-N 124.359 1.037 . . . . 0.0 114.275 -175.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.51 -157.79 21.12 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 39.3 mt -88.24 134.34 33.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.159 0.504 . . . . 0.0 111.251 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.457 ' HG2' ' HA ' ' A' ' 43' ' ' LYS . 49.7 mt-10 -69.24 130.42 42.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.735 174.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -97.1 111.74 23.83 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.167 0.508 . . . . 0.0 110.497 -175.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.781 HG21 ' HD3' ' A' ' 15' ' ' ARG . 19.4 m -90.43 120.9 31.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.061 -177.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -113.63 145.37 41.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.252 176.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.59 ' HG2' ' HG2' ' A' ' 39' ' ' GLU . 46.6 mtm105 -87.22 125.09 33.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.129 0.49 . . . . 0.0 111.338 -178.492 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.6 mt -119.25 161.92 19.58 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.535 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -101.58 179.11 4.44 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 173.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.07 -58.89 5.21 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -176.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -62.64 -29.65 70.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.507 -177.101 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -77.33 -44.76 28.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.895 -177.106 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -66.42 -29.32 69.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.173 0.511 . . . . 0.0 110.001 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -66.87 -18.98 65.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.624 176.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -101.39 4.57 41.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.015 0.436 . . . . 0.0 110.773 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -108.8 104.11 13.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.11 0.481 . . . . 0.0 110.487 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 23.5 m -81.03 106.63 13.19 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.94 -178.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 46.4 t -64.21 126.74 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.538 176.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.72 -17.33 57.62 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.811 -176.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -77.92 95.27 4.73 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.325 0.583 . . . . 0.0 110.124 -178.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.537 ' HG2' HG22 ' A' ' 10' ' ' VAL . 53.2 mt-30 -66.51 114.32 5.39 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.198 173.515 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.22 -170.83 26.4 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 119.957 -1.116 . . . . 0.0 113.038 -171.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.7 m -82.35 129.44 34.87 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.033 0.444 . . . . 0.0 111.464 -170.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.476 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 68.5 tp -117.41 126.25 52.34 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.887 177.224 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.3 m -108.74 122.21 46.67 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.71 177.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.9 p90 -148.0 142.11 26.04 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.999 0.428 . . . . 0.0 110.63 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.426 ' HE3' ' HB2' ' A' ' 74' ' ' LYS . 36.6 ttmt -116.23 105.29 12.4 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 -179.16 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.25 -114.33 4.67 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.37 -0.919 . . . . 0.0 110.967 -174.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.5 p -114.28 13.22 17.83 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.071 0.462 . . . . 0.0 110.544 176.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -102.6 126.45 49.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.181 0.515 . . . . 0.0 111.261 -178.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -70.0 117.58 11.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.4 177.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 99.6 t -91.99 -50.6 12.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.238 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 176.01 150.09 7.88 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.169 178.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -117.5 124.21 48.19 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 178.2 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 44.3 t -100.23 97.19 5.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.095 -178.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.321 177.566 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 . . . . . 0 N--CA 1.446 -0.658 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.61 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 90.6 mt-30 -102.71 112.2 24.87 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.336 0.589 . . . . 0.0 110.737 -178.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.672 ' HB3' ' HE2' ' A' ' 73' ' ' TYR . 15.8 tppt? -115.01 127.84 55.91 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.335 179.463 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -76.63 124.88 28.3 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.47 0.653 . . . . 0.0 109.923 176.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.57 HG21 ' HB3' ' A' ' 42' ' ' PHE . 16.1 m -132.13 165.16 32.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.158 -173.078 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.509 HG22 ' HG2' ' A' ' 68' ' ' GLN . 16.9 t -101.72 126.05 55.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.789 175.157 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.3 t -73.62 92.25 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.147 -1.056 . . . . 0.0 108.147 169.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.7 p -68.89 -46.88 67.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.938 -169.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -168.21 149.3 5.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.398 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.442 ' HD3' ' CZ ' ' A' ' 60' ' ' TYR . 60.7 pttt -90.83 120.73 32.1 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 173.464 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.4 mtt-85 -110.28 144.17 39.39 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.68 -173.002 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -96.03 94.43 7.57 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 172.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt . . . . . 0 C--N 1.323 -0.55 0 CA-C-O 121.004 0.43 . . . . 0.0 111.736 -178.131 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 . . . . . 0 CA--C 1.517 -0.296 0 CA-C-O 120.989 0.423 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.452 ' HB2' ' O ' ' A' ' 55' ' ' LEU . 25.0 m-85 -82.64 118.74 23.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.414 -177.609 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.476 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 21.4 mt-10 -122.3 144.81 48.77 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.209 172.464 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.48 132.96 56.22 Favored 'General case' 0 C--N 1.316 -0.887 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.391 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.635 ' HB3' ' HB3' ' A' ' 50' ' ' GLU . 48.8 m -94.57 124.22 38.47 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.126 178.109 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.57 ' HB3' HG21 ' A' ' 9' ' ' VAL . 92.0 m-85 -102.85 112.39 25.18 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.83 178.488 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 87.7 tttt -99.51 117.55 63.61 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.372 -175.546 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.536 ' HA ' HG12 ' A' ' 9' ' ' VAL . 26.5 Cg_exo -62.35 136.22 58.29 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.847 2.364 . . . . 0.0 112.555 -177.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.31 -33.86 76.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.872 -178.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -93.68 18.87 9.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.099 0.476 . . . . 0.0 111.2 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.68 148.29 21.81 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.639 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.401 ' HA3' ' HG2' ' A' ' 44' ' ' PRO . . . 150.08 167.12 14.0 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.982 -0.627 . . . . 0.0 112.079 179.208 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.5 tp -67.12 140.33 57.55 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.599 0.238 . . . . 0.0 110.614 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.635 ' HB3' ' HB3' ' A' ' 41' ' ' SER . 45.0 mt-10 -68.51 113.56 6.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.123 0.487 . . . . 0.0 110.229 176.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 44.8 mttp -83.81 110.75 18.6 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.42 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.476 ' CG2' ' HB3' ' A' ' 39' ' ' GLU . 36.7 m -97.82 119.31 36.19 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.245 -178.478 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -123.85 159.83 28.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.993 -178.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -77.09 126.99 31.87 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.346 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.452 ' O ' ' HB2' ' A' ' 38' ' ' TYR . 40.5 mt -134.82 132.64 38.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.03 0.443 . . . . 0.0 110.971 178.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -86.13 166.44 15.78 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.084 175.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.09 -39.5 82.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.915 0.388 . . . . 0.0 111.109 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -63.34 -35.55 80.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.743 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -77.15 -47.94 19.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.694 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.472 ' HA ' HD21 ' A' ' 63' ' ' LEU . 79.5 t80 -61.75 -23.98 66.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.201 -178.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -55.8 -21.46 19.53 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.41 177.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.55 -6.67 49.15 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -174.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.472 HD21 ' HA ' ' A' ' 60' ' ' TYR . 1.2 pt? -137.71 156.37 48.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.173 0.511 . . . . 0.0 111.515 -178.129 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.416 ' HB ' ' HB2' ' A' ' 67' ' ' ASP . 13.7 m -123.25 146.41 47.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.591 -178.77 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.3 t -63.81 123.59 16.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.881 0.372 . . . . 0.0 110.215 174.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.4 -18.26 56.63 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.824 -176.08 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.416 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 28.2 t70 -77.1 94.42 4.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.169 0.509 . . . . 0.0 110.218 -177.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.509 ' HG2' HG22 ' A' ' 10' ' ' VAL . 77.1 mt-30 -64.64 131.8 47.96 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.296 176.759 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.33 -175.26 32.16 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.009 -177.342 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.564 ' HB ' ' HB ' ' A' ' 82' ' ' VAL . 18.2 m -90.27 141.84 28.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.637 0.256 . . . . 0.0 110.71 -173.795 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.61 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 58.8 tp -117.37 120.68 38.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.984 0.421 . . . . 0.0 110.92 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.5 t -92.11 109.29 20.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.534 177.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.672 ' HE2' ' HB3' ' A' ' 7' ' ' LYS . 41.8 p90 -143.55 166.24 25.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.17 0.51 . . . . 0.0 111.165 -179.111 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -131.89 88.85 2.61 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 172.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.56 -114.26 3.83 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 -172.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.3 p -105.42 3.08 29.24 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.178 0.513 . . . . 0.0 110.434 174.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.0 mtm180 -77.8 109.72 12.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.782 177.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -76.43 104.63 7.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.394 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.5 t -83.21 -44.22 18.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.106 178.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 169.08 152.96 8.07 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.4 176.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -94.16 133.85 37.23 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 176.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.564 ' HB ' ' HB ' ' A' ' 70' ' ' THR . 25.4 t -105.75 93.54 2.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.109 0.481 . . . . 0.0 110.531 -176.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.3 m . . . . . 0 C--N 1.321 -0.656 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.496 175.076 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.56 ' HG2' ' HA ' ' A' ' 72' ' ' SER . 93.2 mt-30 -136.86 144.49 43.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.756 -175.599 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.506 ' HG2' ' N ' ' A' ' 8' ' ' GLN . 51.7 tttm -168.76 164.99 12.02 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 168.717 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.506 ' N ' ' HG2' ' A' ' 7' ' ' LYS . 59.0 tt0 -76.0 119.45 19.97 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 175.619 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.1 m -120.83 178.6 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.085 -177.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.7 t -113.03 120.09 62.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.021 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.5 t -76.08 96.59 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 168.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.5 p -85.61 -39.81 16.92 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -164.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -162.95 172.21 15.4 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.915 -174.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.2 pttt -124.81 141.39 52.15 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.411 ' HD3' HH11 ' A' ' 15' ' ' ARG . 51.7 mtt180 -143.21 -177.69 5.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.78 0.324 . . . . 0.0 111.315 -177.356 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -143.96 120.18 10.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.977 178.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 86.7 mttt . . . . . 0 C--N 1.323 -0.575 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 175.534 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.701 ' HD2' ' O ' ' A' ' 37' ' ' ARG . 1.2 ppt_? . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 121.341 0.591 . . . . 0.0 110.223 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -95.83 168.36 10.69 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.616 -177.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.644 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 27.7 mt-10 -133.6 149.94 51.61 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.912 0.387 . . . . 0.0 110.191 173.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.65 140.0 50.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.338 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.6 t -94.57 119.25 32.95 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.501 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.407 ' CD1' ' HD2' ' A' ' 53' ' ' PHE . 94.8 m-85 -102.98 114.35 28.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.733 177.661 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 50.6 tttm -95.29 115.28 65.3 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.894 -177.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 6.4 Cg_exo -73.65 143.11 33.44 Favored 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 122.589 2.193 . . . . 0.0 111.492 178.473 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.5 mt -74.04 -14.94 61.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.444 0.64 . . . . 0.0 109.496 174.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -82.96 105.85 14.3 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 169.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -42.92 106.84 0.09 OUTLIER Glycine 0 C--N 1.333 0.414 0 O-C-N 124.276 0.985 . . . . 0.0 114.259 -173.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.71 -161.87 18.26 Favored Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.3 tp -85.89 143.14 28.39 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.753 0.311 . . . . 0.0 110.642 -178.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -72.71 140.25 47.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.444 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -102.2 126.44 49.17 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.814 0.34 . . . . 0.0 110.241 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.584 HG22 ' HB3' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -98.29 111.17 23.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.003 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.407 ' HD2' ' CD1' ' A' ' 42' ' ' PHE . 77.6 m-85 -104.98 137.35 42.86 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.832 0.349 . . . . 0.0 110.623 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.644 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 18.3 ttp180 -74.11 127.82 33.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.777 -178.687 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.8 mt -131.06 139.63 49.93 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.394 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -74.9 166.04 24.29 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 177.318 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.45 -39.37 67.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.005 0.431 . . . . 0.0 110.902 177.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -66.38 -32.95 74.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.876 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -74.58 -41.19 60.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.89 0.376 . . . . 0.0 110.651 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -67.8 -21.58 65.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.505 0.669 . . . . 0.0 110.232 176.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -78.17 -6.31 54.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.514 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -99.9 -62.71 1.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.809 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 pp -88.17 151.45 22.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.765 0.317 . . . . 0.0 110.439 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.3 m -123.1 149.36 44.58 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.839 -175.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 74.5 t -64.13 130.19 28.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.001 0.429 . . . . 0.0 110.452 177.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.51 -5.41 58.65 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.898 -176.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -73.44 97.23 2.51 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -74.21 109.95 8.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.66 172.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 8' ' ' GLN . . . -161.38 176.65 37.9 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.796 -177.47 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.45 142.9 44.89 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.007 0.432 . . . . 0.0 111.764 -174.438 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.523 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 46.6 tp -117.4 121.03 39.96 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.848 178.341 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.56 ' HA ' ' HG2' ' A' ' 6' ' ' GLN . 22.6 t -101.63 116.78 33.51 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.638 -178.197 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.674 ' HA ' HG23 ' A' ' 79' ' ' VAL . 37.9 p90 -154.74 139.72 17.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.246 0.546 . . . . 0.0 111.908 178.265 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -104.69 112.86 26.12 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 167.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.46 -116.79 9.48 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.38 -0.914 . . . . 0.0 111.83 -177.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.9 m -118.29 11.4 13.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.378 0.608 . . . . 0.0 110.324 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -67.24 -33.95 76.43 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.005 -175.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 75.4 t80 63.6 100.97 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.466 0.651 . . . . 0.0 110.623 -175.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.674 HG23 ' HA ' ' A' ' 73' ' ' TYR . 42.9 t -86.23 -31.92 6.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.348 0.594 . . . . 0.0 109.878 -179.053 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 147.12 154.18 6.13 Favored Glycine 0 N--CA 1.442 -0.939 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.331 175.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -87.32 128.8 35.18 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 175.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 45.7 t -111.95 106.48 20.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.871 0.367 . . . . 0.0 110.959 -175.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.324 -0.537 0 CA-C-O 121.463 0.649 . . . . 0.0 109.579 173.669 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 . . . . . 0 N--CA 1.448 -0.526 0 CA-C-O 120.917 0.389 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.631 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 98.9 mt-30 -104.24 134.13 48.0 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.106 178.679 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -142.89 145.86 33.51 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.82 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 61.5 tt0 -78.91 121.17 24.53 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.977 0.418 . . . . 0.0 110.063 177.539 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.6 m -132.83 174.43 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.652 -177.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.54 HG22 ' HG2' ' A' ' 68' ' ' GLN . 35.0 t -115.51 125.56 72.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.804 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 38.0 t -78.28 100.83 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 172.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.7 m -74.85 -52.5 11.19 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -170.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -161.19 163.69 31.0 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.791 -174.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -105.56 143.69 33.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.502 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -148.67 -174.28 4.57 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.643 177.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -145.35 114.2 6.88 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.354 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.55 ' HB2' ' HZ2' ' A' ' 17' ' ' LYS . 9.6 mtmp? . . . . . 0 C--N 1.32 -0.699 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 169.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.406 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 23.7 m-85 -66.19 139.02 58.09 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.013 -172.082 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.697 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 51.0 mt-10 -108.09 152.22 24.82 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.902 175.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -126.64 144.14 51.0 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.739 176.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.9 p -94.28 125.41 38.9 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 178.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.417 ' CD1' ' HD2' ' A' ' 53' ' ' PHE . 97.3 m-85 -102.42 117.79 35.49 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.096 -178.432 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -95.18 114.75 64.46 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.641 -177.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -74.19 128.35 12.08 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.424 2.083 . . . . 0.0 111.826 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.4 mt -63.07 -51.12 67.91 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -92.25 97.66 11.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.844 176.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 129.33 -153.44 19.88 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.516 -0.85 . . . . 0.0 112.605 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -152.21 178.07 29.64 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 121.182 -0.532 . . . . 0.0 111.796 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.0 mt 67.65 126.17 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.507 0.67 . . . . 0.0 111.416 -177.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -93.36 122.49 35.83 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.812 -177.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -88.32 120.64 29.88 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.899 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.44 HG22 ' HB3' ' A' ' 39' ' ' GLU . 5.7 m -93.55 120.34 33.7 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.084 -179.145 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.417 ' HD2' ' CD1' ' A' ' 42' ' ' PHE . 71.2 m-85 -116.71 149.94 39.03 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.813 0.339 . . . . 0.0 111.233 -177.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.697 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 38.7 ptt180 -74.05 138.97 44.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.64 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 38' ' ' TYR . 81.3 mt -129.12 146.1 51.14 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.091 0.472 . . . . 0.0 110.437 177.184 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -92.0 165.23 13.3 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 173.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.04 -34.81 44.87 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.639 0.256 . . . . 0.0 111.642 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -61.63 -54.79 38.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.946 0.403 . . . . 0.0 110.449 177.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.49 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 86.9 mt-30 -63.59 -40.04 95.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.823 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -58.05 -35.09 70.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.482 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -87.61 -19.96 27.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.938 0.399 . . . . 0.0 110.429 178.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.49 -41.15 24.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.543 -177.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 59' ' ' GLN . 3.3 pp -107.49 152.27 24.44 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.912 0.387 . . . . 0.0 110.282 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.1 m -117.5 149.99 39.69 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.774 -175.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.6 t -67.48 118.74 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 171.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.62 -4.04 46.57 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.588 -173.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -75.36 93.68 2.95 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.54 ' HG2' HG22 ' A' ' 10' ' ' VAL . 88.8 mt-30 -74.54 111.17 9.46 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.799 174.447 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 8' ' ' GLN . . . -161.36 -170.79 26.5 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.384 -0.912 . . . . 0.0 112.645 -175.314 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 p -87.58 140.67 29.29 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.182 0.515 . . . . 0.0 112.004 -173.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.631 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 61.0 tp -117.43 128.27 54.84 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.124 179.267 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.7 m -100.99 112.03 24.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.142 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -141.59 155.02 45.78 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.948 0.404 . . . . 0.0 110.863 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -123.58 87.5 2.75 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.398 175.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.96 -114.23 4.13 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -173.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 24.0 p -100.07 4.67 44.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.087 0.47 . . . . 0.0 110.835 175.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 69.9 mtt85 -87.61 108.91 19.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.577 -177.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.457 ' CE1' HD11 ' A' ' 71' ' ' LEU . 84.3 t80 -75.94 107.46 8.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.927 177.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 68.0 t -84.29 -46.65 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.157 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.89 152.97 7.14 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.556 177.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -94.72 129.79 41.49 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.5 t -114.45 108.56 25.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.819 0.342 . . . . 0.0 110.635 -176.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.5 m . . . . . 0 C--N 1.323 -0.556 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 176.623 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 . . . . . 0 N--CA 1.449 -0.513 0 CA-C-O 121.398 0.618 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.474 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 93.5 mt-30 -106.88 114.2 28.15 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.453 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.6 tttm -133.21 140.93 47.81 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 176.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -79.93 131.64 35.88 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.054 0.454 . . . . 0.0 110.702 -178.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.4 m -127.77 175.46 9.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.907 -177.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.449 ' HB ' ' HB3' ' A' ' 43' ' ' LYS . 47.9 t -104.69 125.91 59.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.963 176.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.7 t -77.82 96.67 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 172.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.43 ' OG ' ' HB2' ' A' ' 43' ' ' LYS . 15.7 m -57.97 -61.09 2.79 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.277 -174.019 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -173.43 155.3 2.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.324 -178.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HD2' ' CE1' ' A' ' 60' ' ' TYR . 1.1 ptmt -83.38 121.68 27.47 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.019 171.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -121.12 139.78 52.87 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.221 0.534 . . . . 0.0 111.214 -175.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.4 mp0 -89.5 94.73 9.98 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 174.112 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt . . . . . 0 C--N 1.319 -0.743 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.814 -177.44 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.4 mtm-85 . . . . . 0 N--CA 1.451 -0.377 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -79.03 164.47 24.32 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.76 -178.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.489 ' HB3' HG22 ' A' ' 52' ' ' THR . 29.1 mt-10 -129.3 141.37 51.12 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 175.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.403 ' O ' ' HA ' ' A' ' 52' ' ' THR . . . -118.69 135.53 54.42 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.829 0.347 . . . . 0.0 110.713 -177.116 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.3 m -94.55 129.36 41.4 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.832 -178.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -102.79 129.92 49.6 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.37 175.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.449 ' HB3' ' HB ' ' A' ' 10' ' ' VAL . 19.7 tttp -95.04 121.29 62.8 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.667 -172.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 7.8 Cg_exo -72.95 115.43 4.35 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 122.888 2.392 . . . . 0.0 111.596 176.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.6 mt -58.57 -33.93 70.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.658 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -91.05 20.61 4.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.118 0.485 . . . . 0.0 111.189 -175.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.66 145.14 4.77 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.225 -178.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.21 -178.51 26.7 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.869 -0.681 . . . . 0.0 111.614 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.7 mt -82.97 139.4 33.35 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 176.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -67.17 125.91 27.53 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.144 0.497 . . . . 0.0 110.539 -178.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -82.78 104.48 13.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.043 -177.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.489 HG22 ' HB3' ' A' ' 39' ' ' GLU . 14.1 m -96.51 107.54 19.96 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.598 -178.444 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -109.68 153.29 24.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.533 -179.135 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.428 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 25.2 ttm180 -85.74 144.55 27.72 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.059 -174.234 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.468 HD11 ' HG ' ' A' ' 63' ' ' LEU . 70.6 mt -129.75 153.18 48.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.604 -175.201 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -90.12 164.37 14.49 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 167.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.65 -39.91 74.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.906 0.384 . . . . 0.0 111.148 178.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -62.69 -44.5 96.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.684 177.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -67.82 -38.75 83.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.4 0.619 . . . . 0.0 109.861 178.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.426 ' CE1' ' HD2' ' A' ' 14' ' ' LYS . 78.5 t80 -54.87 -33.27 61.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.797 -1.092 . . . . 0.0 111.569 179.044 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -64.12 -30.47 71.53 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.28 177.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.83 -6.32 57.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.858 0.361 . . . . 0.0 111.467 -174.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.468 ' HG ' HD11 ' A' ' 55' ' ' LEU . 4.3 mm? -94.07 90.69 6.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.225 0.536 . . . . 0.0 111.061 -179.406 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.6 m -88.36 111.94 22.31 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.473 178.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 42.8 t -62.55 125.73 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.214 0.53 . . . . 0.0 111.376 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 96.73 -23.78 33.84 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.88 -177.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -78.54 92.6 4.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.12 0.486 . . . . 0.0 110.065 -178.504 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -60.45 134.91 57.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.915 177.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.34 176.13 37.9 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.369 -0.92 . . . . 0.0 112.335 -175.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.5 m -78.22 136.74 37.85 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.236 0.541 . . . . 0.0 111.283 -173.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.474 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 45.9 tp -117.43 125.0 50.21 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.72 178.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 35.2 m -101.31 112.05 24.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.094 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 55.2 p90 -136.11 157.75 46.08 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.916 0.389 . . . . 0.0 110.755 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -130.96 120.37 23.43 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 176.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.28 -114.03 5.5 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 120.218 -0.991 . . . . 0.0 111.317 -177.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.3 m -115.44 3.39 14.1 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.014 0.435 . . . . 0.0 110.487 178.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 56.4 ttt85 -105.68 141.3 37.36 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.331 0.586 . . . . 0.0 111.77 -173.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -75.39 133.46 41.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.708 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.8 t -108.0 -55.12 5.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.909 0.385 . . . . 0.0 110.43 177.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -168.28 154.34 24.14 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.518 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -107.14 135.86 47.96 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 177.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 47.0 t -125.22 102.27 10.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.875 0.369 . . . . 0.0 110.763 -177.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.326 -0.413 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 174.61 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 . . . . . 0 N--CA 1.451 -0.403 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.48 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 96.8 mt-30 -116.67 138.55 51.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.102 -178.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -156.7 159.56 38.49 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.412 -0.813 . . . . 0.0 108.881 176.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -89.18 131.08 35.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.028 0.442 . . . . 0.0 110.072 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.6 m -134.75 174.25 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.716 -176.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.408 HG22 ' HG2' ' A' ' 68' ' ' GLN . 62.1 t -116.63 126.55 74.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.411 178.148 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.553 HG21 HD12 ' A' ' 63' ' ' LEU . 26.0 t -76.82 88.93 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 170.371 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 p -82.04 -53.55 6.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.356 -170.159 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -131.36 143.4 50.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.01 0.433 . . . . 0.0 111.63 -176.027 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.429 ' HE3' ' HB3' ' A' ' 14' ' ' LYS . 0.9 OUTLIER -98.07 121.51 40.09 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 170.44 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.443 HH12 ' CD ' ' A' ' 50' ' ' GLU . 47.1 mtt85 -118.95 153.02 35.29 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.53 -176.441 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -138.23 94.56 2.88 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm . . . . . 0 C--N 1.322 -0.624 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.319 179.715 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 . . . . . 0 N--CA 1.451 -0.412 0 CA-C-O 120.533 0.206 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -86.55 106.49 17.57 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -103.45 144.54 31.26 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 121.134 0.492 . . . . 0.0 110.49 -172.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.5 129.09 55.17 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.91 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.691 ' HB3' ' HB3' ' A' ' 50' ' ' GLU . 17.0 m -94.39 122.77 37.29 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.209 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -102.67 118.49 36.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.102 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.459 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 81.8 tttt -95.19 128.71 37.7 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.753 -177.436 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 14.1 Cg_exo -70.22 127.21 13.9 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 123.093 2.529 . . . . 0.0 112.096 176.333 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.91 -24.15 67.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.513 -177.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -106.35 23.62 13.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.312 0.577 . . . . 0.0 110.998 -174.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.54 140.54 10.68 Favored Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.419 179.014 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.25 174.77 21.04 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 111.394 -0.682 . . . . 0.0 111.394 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 76.8 mt -89.26 152.0 21.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.718 0.294 . . . . 0.0 110.209 178.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.691 ' HB3' ' HB3' ' A' ' 41' ' ' SER . 45.4 mt-10 -66.11 127.49 32.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.542 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.9 mttp -89.18 104.02 16.6 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.899 175.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.0 m -84.22 98.24 9.84 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.86 -177.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -97.59 139.76 33.01 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 176.293 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.3 mtt-85 -87.11 137.62 32.19 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.501 -174.115 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.6 mt -132.54 171.43 13.8 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.89 -176.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -96.93 169.97 9.48 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.353 173.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.39 -38.14 89.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.077 0.465 . . . . 0.0 110.038 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -60.47 -43.0 97.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.489 175.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -70.12 -35.62 74.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.117 -179.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -66.64 -25.5 66.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.162 0.506 . . . . 0.0 110.423 177.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -75.82 -9.66 58.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.608 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -89.97 -32.86 16.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.83 -177.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.553 HD12 HG21 ' A' ' 11' ' ' VAL . 2.4 pt? -114.78 165.24 13.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 110.925 -176.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.598 ' HB ' ' HB2' ' A' ' 67' ' ' ASP . 24.2 m -123.05 140.62 52.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.765 -177.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 55.8 t -69.44 120.18 16.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 175.35 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.63 -12.4 53.9 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 121.149 -0.548 . . . . 0.0 111.819 -174.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.598 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 13.0 t70 -78.67 93.27 4.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.093 0.473 . . . . 0.0 109.916 -179.569 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.408 ' HG2' HG22 ' A' ' 10' ' ' VAL . 45.6 mt-30 -67.37 127.7 33.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.991 177.607 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.47 -170.92 26.81 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.995 -176.012 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.2 m -95.34 138.59 32.82 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.019 0.438 . . . . 0.0 111.053 -174.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.48 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 65.9 tp -117.44 131.24 56.78 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.252 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.1 m -103.49 114.15 28.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.548 176.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -140.35 170.18 16.3 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.627 -177.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -137.88 87.38 2.25 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 174.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.81 -137.1 23.82 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -171.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.8 m -89.76 65.68 6.86 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.189 0.519 . . . . 0.0 109.905 176.128 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 19.5 ttm-85 -153.51 125.66 7.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.801 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -79.45 117.8 20.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.4 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.2 t -98.25 -48.65 12.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.125 0.488 . . . . 0.0 109.72 175.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -179.14 139.86 4.13 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.322 177.405 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -98.41 124.25 42.99 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 176.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 36.9 t -110.32 95.08 3.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.273 0.559 . . . . 0.0 110.4 -177.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.1 p . . . . . 0 C--N 1.32 -0.679 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 173.077 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.618 0.246 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -105.07 109.34 21.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.168 0.508 . . . . 0.0 110.354 175.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -125.06 137.2 54.21 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.282 179.354 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.444 ' HG2' ' HA ' ' A' ' 70' ' ' THR . 75.2 mt-30 -82.98 132.06 35.16 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.379 177.609 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.433 HG12 ' HA ' ' A' ' 44' ' ' PRO . 21.3 m -126.69 167.43 21.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.162 -175.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.517 HG22 ' HG2' ' A' ' 68' ' ' GLN . 49.0 t -103.82 122.08 56.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.349 176.718 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.503 HG21 HD12 ' A' ' 63' ' ' LEU . 23.8 t -72.37 97.3 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 172.533 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.65 ' HB3' ' HB3' ' A' ' 41' ' ' SER . 29.4 t -71.98 -57.25 4.45 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.654 -171.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -175.45 162.43 2.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.261 -176.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.1 pttt -84.65 133.57 34.4 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 173.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -132.72 150.18 52.19 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.402 0.62 . . . . 0.0 110.73 -177.313 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -109.31 120.06 41.36 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.779 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.666 ' HE3' HG21 ' A' ' 52' ' ' THR . 92.5 mttt . . . . . 0 C--N 1.322 -0.612 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.569 178.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.6 mtm-85 . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -90.55 111.61 22.97 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 175.365 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.75 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 51.6 mt-10 -103.3 145.04 30.55 Favored 'General case' 0 C--N 1.31 -1.137 0 C-N-CA 119.91 -0.716 . . . . 0.0 109.143 -174.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.35 148.75 42.18 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 121.254 0.549 . . . . 0.0 111.122 -170.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.65 ' HB3' ' HB3' ' A' ' 12' ' ' SER . 11.6 t -94.82 112.65 24.36 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.982 -177.354 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.456 ' CD1' ' HD2' ' A' ' 53' ' ' PHE . 96.3 m-85 -106.27 108.43 19.95 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.961 178.745 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.606 ' HB2' ' HG2' ' A' ' 50' ' ' GLU . 59.9 tttp -95.48 124.56 52.77 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.167 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.433 ' HA ' HG12 ' A' ' 9' ' ' VAL . 24.1 Cg_exo -65.01 134.77 41.16 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.729 2.286 . . . . 0.0 111.435 172.644 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.2 mt -63.68 -60.06 3.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.142 0.496 . . . . 0.0 111.89 -177.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -99.16 89.04 4.1 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.395 -174.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.39 95.87 0.14 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.134 -0.555 . . . . 0.0 113.123 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 169.18 143.43 3.86 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.163 -1.018 . . . . 0.0 112.995 178.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.5 tp -88.94 154.9 19.85 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.012 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.606 ' HG2' ' HB2' ' A' ' 43' ' ' LYS . 42.6 mt-10 -59.04 129.03 40.19 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 123.412 0.445 . . . . 0.0 111.704 -177.168 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -102.01 143.14 32.23 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 173.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.666 HG21 ' HE3' ' A' ' 17' ' ' LYS . 3.6 m -108.95 118.1 35.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.687 0.28 . . . . 0.0 111.137 -176.384 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.456 ' HD2' ' CD1' ' A' ' 42' ' ' PHE . 90.6 m-85 -115.78 149.01 39.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.622 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.75 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 37.0 ttm180 -82.22 131.52 35.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.323 -174.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.448 ' HB3' ' HB2' ' A' ' 60' ' ' TYR . 83.3 mt -133.96 142.46 47.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.19 0.519 . . . . 0.0 110.992 179.032 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.432 ' H ' ' HB2' ' A' ' 59' ' ' GLN . 79.7 mt-30 -119.42 -167.76 1.46 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.379 172.197 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -43.86 -76.46 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -169.234 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -70.74 -21.71 62.5 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.673 -174.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.432 ' HB2' ' H ' ' A' ' 56' ' ' GLN . 88.0 mt-30 -71.51 -45.3 62.82 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.941 0.4 . . . . 0.0 110.38 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.448 ' HB2' ' HB3' ' A' ' 55' ' ' LEU . 86.0 t80 -75.82 -23.95 55.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.326 0.584 . . . . 0.0 110.247 178.221 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -72.18 -16.6 61.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.995 -179.014 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.72 -6.23 58.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.928 -176.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.503 HD12 HG21 ' A' ' 11' ' ' VAL . 2.4 pt? -144.16 164.48 30.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.836 0.35 . . . . 0.0 110.393 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.4 m -123.17 144.51 49.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.483 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 44.8 t -61.6 124.6 16.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.07 0.462 . . . . 0.0 110.408 174.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.27 -18.06 54.65 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.976 -176.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -78.51 92.57 4.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.176 0.512 . . . . 0.0 109.779 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.517 ' HG2' HG22 ' A' ' 10' ' ' VAL . 86.4 mt-30 -62.4 134.12 56.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.196 175.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.28 177.33 37.65 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.191 -1.004 . . . . 0.0 112.527 -175.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.495 ' HB ' ' HB ' ' A' ' 82' ' ' VAL . 17.2 m -84.92 133.4 34.29 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.933 0.396 . . . . 0.0 111.319 -172.396 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.6 tp -117.19 124.56 49.41 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.199 178.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.3 m -104.87 122.97 46.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.615 179.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.407 ' HA ' HG23 ' A' ' 79' ' ' VAL . 50.9 p90 -150.11 160.92 43.29 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.222 0.534 . . . . 0.0 111.152 -175.207 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -123.69 104.81 9.22 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.33 -0.85 . . . . 0.0 108.958 173.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.3 -114.2 4.08 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.515 -0.85 . . . . 0.0 111.356 -176.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.9 p -113.37 4.7 16.47 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.855 0.359 . . . . 0.0 110.92 177.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.2 ttt85 -97.39 133.12 42.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.113 0.482 . . . . 0.0 111.471 -175.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.417 ' HB2' ' CD1' ' A' ' 53' ' ' PHE . 52.9 t80 -70.27 127.56 33.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.667 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.407 HG23 ' HA ' ' A' ' 73' ' ' TYR . 85.6 t -108.86 -49.91 7.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.328 176.411 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -170.51 155.49 25.04 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.013 178.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -126.23 133.15 51.57 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.495 ' HB ' ' HB ' ' A' ' 70' ' ' THR . 43.3 t -109.61 95.74 4.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.784 178.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 C--N 1.321 -0.654 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.545 179.692 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 . . . . . 0 N--CA 1.449 -0.512 0 CA-C-O 120.929 0.395 . . . . 0.0 110.114 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.495 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 97.3 mt-30 -103.49 114.63 29.05 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.548 179.16 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -133.36 169.2 17.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.928 177.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -86.84 125.95 34.32 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 173.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.2 m -124.01 157.96 30.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 120.817 0.341 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.545 HG22 ' HG2' ' A' ' 68' ' ' GLN . 26.0 t -103.01 120.6 53.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.413 178.281 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.563 HG21 ' HB2' ' A' ' 63' ' ' LEU . 48.1 t -67.87 104.3 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 171.461 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.4 t -97.04 -58.13 2.1 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.184 -169.201 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -127.59 146.32 50.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.888 0.375 . . . . 0.0 111.676 -174.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -113.12 124.97 53.81 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 170.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -138.83 163.6 31.83 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.711 -171.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -146.63 110.11 4.84 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.282 171.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp . . . . . 0 C--N 1.323 -0.56 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.765 177.521 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.209 0 CA-C-O 121.109 0.481 . . . . 0.0 110.383 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.403 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 2.3 m-30 -61.36 125.18 22.84 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.538 -174.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.898 ' HG2' ' HG2' ' A' ' 54' ' ' ARG . 34.8 mt-10 -103.53 135.74 44.56 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 -179.337 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.22 128.95 55.19 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.883 0.373 . . . . 0.0 111.172 -175.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.743 ' HB3' ' HB3' ' A' ' 50' ' ' GLU . 20.2 m -94.42 121.58 36.1 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.72 177.367 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -102.73 127.86 49.69 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.191 -178.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.507 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 72.8 tttt -95.92 122.42 58.49 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.295 -176.691 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.507 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 3.8 Cg_exo -76.28 132.39 13.72 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.856 2.37 . . . . 0.0 112.601 -178.678 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.99 -23.66 64.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.197 178.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -87.01 17.27 4.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.821 -175.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.43 127.29 0.27 Allowed Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.439 -0.801 . . . . 0.0 112.599 -177.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 169.3 -147.1 10.73 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.531 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.0 mt -123.75 154.68 39.16 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.251 -0.278 . . . . 0.0 110.251 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.743 ' HB3' ' HB3' ' A' ' 41' ' ' SER . 23.9 mt-10 -68.28 113.37 5.83 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.031 -177.597 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 41' ' ' SER . 61.4 mttm -82.6 120.86 26.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.589 178.634 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 24.8 m -102.51 110.77 22.81 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.946 0.403 . . . . 0.0 111.34 -175.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -112.85 151.54 30.3 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.951 178.266 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.898 ' HG2' ' HG2' ' A' ' 39' ' ' GLU . 85.6 mtm-85 -88.5 135.32 33.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.959 0.409 . . . . 0.0 111.056 -177.608 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 91.3 mt -133.03 167.82 19.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.2 -174.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -104.27 165.94 10.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.842 174.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.82 -35.95 82.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.057 0.455 . . . . 0.0 110.239 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -57.15 -34.21 68.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.828 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -86.93 -39.51 15.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.522 -178.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -63.59 -17.1 62.5 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.373 178.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -52.46 -30.39 29.52 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.149 176.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.54 -61.06 1.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -176.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.563 ' HB2' HG21 ' A' ' 11' ' ' VAL . 0.7 OUTLIER -72.93 133.91 44.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.447 0.641 . . . . 0.0 111.846 -172.849 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.8 m -123.2 149.73 44.28 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.646 177.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 83.6 t -59.66 125.62 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.813 0.34 . . . . 0.0 110.656 178.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.16 -23.64 32.47 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.78 -176.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -76.24 96.37 3.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.3 0.571 . . . . 0.0 110.469 -177.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.545 ' HG2' HG22 ' A' ' 10' ' ' VAL . 79.2 mt-30 -61.29 143.16 56.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.17 174.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.483 ' HA3' ' HA ' ' A' ' 83' ' ' SER . . . -161.41 177.51 37.69 Favored Glycine 0 N--CA 1.443 -0.881 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.9 m -91.65 130.94 37.37 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.134 0.493 . . . . 0.0 110.531 -175.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.495 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 58.3 tp -117.27 122.39 43.82 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.668 -177.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.541 ' O ' ' HB ' ' A' ' 79' ' ' VAL . 22.8 m -98.1 105.22 17.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.352 175.436 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.3 p90 -121.27 122.67 40.43 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.372 0.606 . . . . 0.0 110.188 175.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -98.66 103.86 15.85 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.491 -0.777 . . . . 0.0 108.996 -178.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.95 -114.46 3.83 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.542 -0.837 . . . . 0.0 111.111 -174.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.9 p -119.56 16.07 12.86 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.061 0.458 . . . . 0.0 110.733 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' A' ' 77' ' ' ARG . 22.5 ttm-85 -112.95 139.0 48.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.76 -175.047 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -69.51 116.03 9.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.801 174.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.541 ' HB ' ' O ' ' A' ' 72' ' ' SER . 98.5 t -97.37 -57.21 4.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.702 0.287 . . . . 0.0 110.388 178.29 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -165.3 143.29 8.34 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.352 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -117.95 128.62 54.98 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 177.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.9 t -131.69 111.7 19.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.225 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.483 ' HA ' ' HA3' ' A' ' 69' ' ' GLY . 51.5 m . . . . . 0 C--N 1.325 -0.489 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 174.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 . . . . . 0 N--CA 1.45 -0.455 0 CA-C-O 121.203 0.525 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.421 ' HB3' ' CG2' ' A' ' 70' ' ' THR . 95.6 mt-30 -113.18 115.58 28.47 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.79 -176.399 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -136.15 149.51 48.66 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 173.222 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -84.45 141.1 31.05 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.117 0.484 . . . . 0.0 111.351 -176.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.2 m -137.7 172.58 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.582 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.535 HG22 ' HG2' ' A' ' 68' ' ' GLN . 41.6 t -107.78 119.32 57.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.096 175.54 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.66 HG21 HD12 ' A' ' 63' ' ' LEU . 16.5 t -68.62 96.53 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 171.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.3 t -79.25 -48.57 13.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.872 -167.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -164.73 151.8 11.16 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.873 -175.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -88.28 151.08 22.89 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 173.249 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -138.96 168.25 20.25 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.816 0.341 . . . . 0.0 110.602 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -142.91 95.03 2.71 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 171.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.502 ' NZ ' ' HA ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.697 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 176.395 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 . . . . . 0 N--CA 1.451 -0.42 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -85.09 -173.25 4.61 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.734 -175.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -132.41 152.41 51.49 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.447 ' O ' ' HA ' ' A' ' 52' ' ' THR . . . -123.69 132.98 53.96 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.679 0.276 . . . . 0.0 110.864 -178.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.482 ' OG ' ' HB3' ' A' ' 50' ' ' GLU . 12.4 t -96.64 117.79 31.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.058 179.002 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -102.88 117.69 35.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.279 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 87.2 tttt -98.63 124.98 44.3 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.237 -178.591 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 23.5 Cg_exo -65.03 139.02 59.48 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.89 2.393 . . . . 0.0 112.36 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 71.2 mt -63.03 -34.76 78.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.417 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.67 23.24 8.92 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.684 -172.303 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.96 148.85 6.08 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.638 -176.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.31 -172.54 29.34 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.252 -0.975 . . . . 0.0 112.371 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.2 mt -81.77 148.53 28.86 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.801 0.334 . . . . 0.0 110.822 -177.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.482 ' HB3' ' OG ' ' A' ' 41' ' ' SER . 42.6 mt-10 -82.51 112.3 19.31 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.302 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -82.47 113.2 20.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.274 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 24.4 m -98.33 113.57 25.58 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.719 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -116.31 149.88 38.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.936 178.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -88.03 125.95 34.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.935 0.398 . . . . 0.0 111.163 -174.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.5 mt -131.76 135.99 47.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.093 -175.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -81.03 173.31 12.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.122 178.034 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.98 -46.42 89.5 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.861 0.363 . . . . 0.0 111.328 -178.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -64.01 -33.37 75.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.268 178.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -78.57 -41.3 32.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.503 -178.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -59.2 -35.99 74.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.075 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -84.03 23.43 1.04 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -177.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.65 -11.8 21.7 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 168.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.66 HD12 HG21 ' A' ' 11' ' ' VAL . 1.5 pt? -142.62 171.51 13.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.246 -178.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.542 ' HB ' ' HB2' ' A' ' 67' ' ' ASP . 1.3 m -123.32 154.23 39.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.66 -179.092 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 49.0 t -71.7 121.04 21.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 170.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.92 -5.19 66.16 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.982 -0.628 . . . . 0.0 111.586 -173.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.542 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 0.9 OUTLIER -77.96 90.74 4.17 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.838 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.535 ' HG2' HG22 ' A' ' 10' ' ' VAL . 97.0 mt-30 -64.81 120.36 12.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.751 176.42 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.54 176.8 38.02 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.28 -0.962 . . . . 0.0 112.22 -176.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.421 ' CG2' ' HB3' ' A' ' 6' ' ' GLN . 7.1 m -77.04 139.84 40.16 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.964 0.411 . . . . 0.0 110.9 -175.762 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 52.4 tp -117.38 116.05 26.43 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.736 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.2 p -93.9 110.96 22.6 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.532 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -139.13 166.34 24.77 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.248 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -126.35 91.95 3.47 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 175.003 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.45 -114.33 5.36 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.314 -0.946 . . . . 0.0 111.004 -175.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.2 p -94.44 -3.28 50.39 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.876 0.369 . . . . 0.0 111.063 177.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -89.13 113.4 24.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.661 -175.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -73.88 125.28 27.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.271 175.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.0 t -106.97 -50.3 7.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.748 0.309 . . . . 0.0 110.75 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -176.5 177.03 48.01 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.595 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -125.23 134.1 52.46 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 62.1 t -127.05 98.69 4.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.961 0.41 . . . . 0.0 111.096 -176.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.4 t . . . . . 0 C--N 1.323 -0.575 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 173.704 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.5 mtm . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.75 111.02 4.16 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.893 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -71.86 158.95 51.81 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.779 2.319 . . . . 0.0 111.023 175.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.521 HD11 ' HB3' ' A' ' 72' ' ' SER . 19.8 tp -78.35 103.27 8.18 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.086 0.47 . . . . 0.0 109.91 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -80.04 112.1 17.02 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.577 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 97.9 mt-30 -116.05 123.47 48.02 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.876 -177.156 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.405 ' HE2' ' OD1' ' A' ' 46' ' ' ASN . 41.4 tttp -142.58 150.59 40.55 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 175.218 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.457 ' HG2' ' NH2' ' A' ' 84' ' ' ARG . 22.7 mp0 -77.6 129.62 35.84 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.784 0.326 . . . . 0.0 110.373 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.2 m -130.34 171.13 18.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.803 -178.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.528 HG22 ' HG2' ' A' ' 68' ' ' GLN . 87.4 t -109.79 123.84 66.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.493 176.371 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.2 t -75.53 93.74 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 169.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.2 p -81.69 -57.14 3.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.85 -168.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -155.12 153.76 31.32 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.429 -173.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -84.26 145.76 28.13 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 173.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 15' ' ' ARG . 4.1 ttm180 -137.56 161.5 36.26 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -176.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -145.71 101.02 3.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.93 0.395 . . . . 0.0 110.405 178.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.445 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 75.4 mmtt -103.64 131.56 21.91 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.741 173.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.524 ' HB2' ' HB3' ' A' ' 31' ' ' PRO . 50.3 Cg_exo -54.19 148.03 42.33 Favored 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 123.047 2.498 . . . . 0.0 112.65 -178.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.8 t -118.62 152.81 20.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.927 -174.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -133.4 138.1 46.1 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 173.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.414 ' OD1' ' HG3' ' A' ' 23' ' ' ARG . 11.4 t70 -76.64 152.47 35.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.06 0.457 . . . . 0.0 110.412 -177.023 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -71.29 -23.03 61.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.587 -175.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.414 ' HG3' ' OD1' ' A' ' 21' ' ' ASP . 47.6 mtm-85 -67.97 -19.97 65.0 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.87 0.366 . . . . 0.0 111.078 -178.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.505 ' HB3' ' HG2' ' A' ' 26' ' ' GLN . 19.3 m -65.26 -33.52 76.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.04 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 55.53 35.84 25.94 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.424 0.63 . . . . 0.0 110.245 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.505 ' HG2' ' HB3' ' A' ' 24' ' ' SER . 70.3 mm-40 -70.34 140.33 52.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.931 -174.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -93.7 11.14 30.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.103 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -143.9 166.85 23.77 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.753 -1.112 . . . . 0.0 108.324 -178.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.5 t -64.35 -75.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.512 0.196 . . . . 0.0 110.573 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.0 m 49.19 81.64 0.26 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.19 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.524 ' HB3' ' HB2' ' A' ' 18' ' ' PRO . 20.9 Cg_endo -61.58 138.53 76.07 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.756 2.304 . . . . 0.0 112.451 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.32 57.15 4.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.166 0.508 . . . . 0.0 110.466 177.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.31 -107.28 2.18 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.897 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.4 t -146.56 -177.01 5.41 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.445 ' OG ' ' HD3' ' A' ' 37' ' ' ARG . 6.1 t -151.43 162.63 40.61 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 -177.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 45.1 mtm -95.54 10.69 35.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.822 0.344 . . . . 0.0 110.731 178.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.445 ' HD3' ' OG ' ' A' ' 35' ' ' SER . 4.9 mpt_? -86.41 89.23 7.82 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 176.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -72.62 140.22 47.87 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.191 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.691 ' HG2' ' HG2' ' A' ' 54' ' ' ARG . 39.0 mt-10 -104.06 148.57 26.09 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.013 0.435 . . . . 0.0 110.506 -176.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.53 133.44 55.86 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.868 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.1 m -94.53 116.1 28.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.384 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -102.91 110.35 22.24 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 176.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -95.38 128.93 36.55 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.73 -176.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -67.5 132.17 26.52 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.502 2.135 . . . . 0.0 111.609 174.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.7 mt -62.36 -30.19 71.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.821 -177.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.405 ' OD1' ' HE2' ' A' ' 7' ' ' LYS . 4.3 p-10 -86.83 17.26 4.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.161 0.505 . . . . 0.0 111.645 -175.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.78 143.49 4.88 Favored Glycine 0 C--N 1.317 -0.527 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.563 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.29 179.23 24.98 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.022 177.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.7 mt -74.42 139.02 43.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.868 0.366 . . . . 0.0 110.599 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -65.98 133.07 50.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.805 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -82.87 100.67 10.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.7 m -90.68 101.73 14.48 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.463 -178.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -101.82 141.39 34.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.313 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.691 ' HG2' ' HG2' ' A' ' 39' ' ' GLU . 81.4 mtt-85 -85.88 130.09 34.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.441 -177.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.1 mt -123.91 162.88 22.43 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.886 -175.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -86.05 167.01 15.4 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 172.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.66 97.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.058 0.456 . . . . 0.0 110.645 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -67.8 -29.15 68.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.57 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -81.18 -43.61 19.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.928 -177.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -61.79 -30.3 70.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.2 0.524 . . . . 0.0 110.442 177.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -73.44 -7.52 52.09 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.331 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.28 -15.24 29.47 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -174.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.433 ' H ' HD23 ' A' ' 63' ' ' LEU . 2.0 pt? -125.35 168.9 12.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.936 0.398 . . . . 0.0 110.849 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.5 m -123.09 136.57 54.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.214 -176.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 55.7 t -69.2 129.85 33.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.508 176.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.84 -19.64 46.38 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.734 -176.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -73.62 96.71 2.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.358 0.599 . . . . 0.0 110.604 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.528 ' HG2' HG22 ' A' ' 10' ' ' VAL . 79.3 mt-30 -67.69 126.22 28.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.419 173.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.38 -178.06 35.0 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.387 -0.911 . . . . 0.0 112.212 -176.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.563 ' HB ' ' HB ' ' A' ' 82' ' ' VAL . 7.5 m -82.96 139.96 33.05 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.887 0.375 . . . . 0.0 110.621 -174.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.577 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 49.2 tp -117.26 126.13 52.24 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 179.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.521 ' HB3' HD11 ' A' ' 4' ' ' LEU . 19.9 m -102.94 106.72 17.32 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.791 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -140.37 160.13 40.66 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.155 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -124.81 92.31 3.62 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.59 -114.12 4.01 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 -173.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.4 p -103.9 1.43 31.34 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.097 0.475 . . . . 0.0 110.559 175.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 22.8 ttt85 -92.65 112.56 24.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.819 -176.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -70.92 126.94 30.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.812 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.1 t -103.45 -58.84 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.444 177.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -168.24 162.58 36.37 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.542 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -113.59 134.37 54.74 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.563 ' HB ' ' HB ' ' A' ' 70' ' ' THR . 48.4 t -114.13 97.75 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.902 0.382 . . . . 0.0 110.625 -177.421 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.1 t -67.9 144.13 55.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.891 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.457 ' NH2' ' HG2' ' A' ' 8' ' ' GLN . 90.1 mtt-85 -67.04 -48.31 68.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.242 0.544 . . . . 0.0 110.12 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.6 m -122.34 87.28 48.42 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.332 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.427 ' HD2' ' OE2' ' A' ' 89' ' ' GLU . 32.3 Cg_exo -59.09 163.84 11.22 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.791 2.327 . . . . 0.0 111.783 176.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -53.36 -43.78 68.03 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -174.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -76.5 -9.1 58.41 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -175.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.427 ' OE2' ' HD2' ' A' ' 86' ' ' PRO . 25.1 mt-10 -86.58 -5.53 59.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.345 0.593 . . . . 0.0 109.778 173.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.0 tp -110.71 -45.83 3.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.451 -0.795 . . . . 0.0 108.912 171.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.81 89.2 4.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.15 -0.932 . . . . 0.0 108.645 175.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -88.06 170.96 10.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.957 -173.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -84.62 -19.12 33.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.854 -172.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -96.45 120.38 36.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.023 0.439 . . . . 0.0 110.694 177.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -125.36 164.84 19.52 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.222 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -106.77 -29.58 9.45 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 165.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 83.3 t60 . . . . . 0 C--O 1.24 0.603 0 CA-C-N 114.62 -1.173 . . . . 0.0 108.912 172.74 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 N--CA 1.478 0.968 0 CA-C-O 120.781 0.324 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -133.54 115.43 13.61 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.866 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -62.18 -43.11 25.31 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.742 2.295 . . . . 0.0 111.474 176.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.547 HD21 ' HB3' ' A' ' 72' ' ' SER . 46.2 tp -92.2 118.6 31.02 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 171.24 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -80.18 112.33 17.4 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -176.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.605 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 97.0 mt-30 -124.9 135.96 53.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.803 -176.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -154.59 149.68 26.91 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.244 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.443 ' HA ' ' HA ' ' A' ' 70' ' ' THR . 84.9 mt-30 -80.91 125.4 30.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.12 0.485 . . . . 0.0 110.256 175.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.7 m -129.42 172.66 15.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.569 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.536 HG22 ' HG2' ' A' ' 68' ' ' GLN . 40.6 t -109.42 123.72 65.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.232 178.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.6 t -75.25 97.23 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 173.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.8 m -69.53 -50.87 40.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.751 -173.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -177.25 169.1 2.31 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -176.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -76.97 155.1 32.92 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.934 0.397 . . . . 0.0 109.992 176.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.695 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 3.0 mmp_? -121.79 145.86 47.63 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 174.372 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -135.97 94.4 3.05 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 -178.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -114.66 103.57 54.8 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.405 175.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -65.24 116.7 4.02 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.626 2.217 . . . . 0.0 111.556 177.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.4 t -54.32 122.77 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.301 178.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -71.78 -49.8 35.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.86 0.362 . . . . 0.0 110.862 -176.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -94.3 93.93 8.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.98 0.419 . . . . 0.0 109.967 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -94.21 90.64 6.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.111 0.482 . . . . 0.0 110.929 -176.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -81.93 92.35 6.73 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 174.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.6 m -60.94 129.9 43.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.013 -174.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -105.1 -178.19 3.58 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.05 173.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -84.3 -38.62 20.2 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 175.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -122.65 146.61 47.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.884 177.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.683 ' HG2' ' H ' ' A' ' 29' ' ' VAL . 20.7 tt0 -142.78 177.23 8.47 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.241 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.683 ' H ' ' HG2' ' A' ' 28' ' ' GLU . 4.6 t -85.52 2.76 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.289 0.566 . . . . 0.0 110.401 -178.181 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.466 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 19.3 m -96.99 109.79 50.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.597 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 30' ' ' SER . 2.7 Cg_endo -81.71 -176.39 3.03 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 123.164 2.576 . . . . 0.0 112.403 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.46 19.03 0.14 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -178.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.05 -30.36 31.64 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.745 -0.741 . . . . 0.0 111.592 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.9 t -170.84 144.08 2.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.751 0.31 . . . . 0.0 110.356 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 p -93.35 1.04 57.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.614 0.721 . . . . 0.0 110.091 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 53.8 mtm -99.97 171.77 7.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.254 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.635 ' NE ' ' HA ' ' A' ' 37' ' ' ARG . 2.4 mmp_? -114.63 136.09 53.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.803 0.335 . . . . 0.0 110.732 -178.319 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -125.93 138.18 53.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.727 177.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.702 ' HG2' ' HG2' ' A' ' 54' ' ' ARG . 32.3 mt-10 -127.09 161.04 29.39 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.613 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.5 132.04 56.23 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.82 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.6 t -99.77 114.21 27.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.014 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -102.81 123.61 46.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.534 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.539 ' HA ' ' HG2' ' A' ' 50' ' ' GLU . 4.2 ttmp? -95.04 124.09 55.27 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.248 -177.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 6.2 Cg_exo -74.96 113.61 3.84 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 123.154 2.569 . . . . 0.0 112.024 175.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.1 mt -63.59 -21.08 66.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.175 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -105.03 22.9 14.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.068 0.461 . . . . 0.0 110.889 -175.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.44 137.87 3.79 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.591 -0.732 . . . . 0.0 112.257 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.21 172.19 18.63 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 121.066 -0.588 . . . . 0.0 111.872 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.4 tp -80.76 129.89 34.77 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 176.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.539 ' HG2' ' HA ' ' A' ' 43' ' ' LYS . 46.2 mt-10 -59.97 138.63 57.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.957 0.408 . . . . 0.0 110.881 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -94.68 139.64 30.96 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.429 -176.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.3 m -123.62 117.51 25.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.656 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -120.29 136.84 54.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.222 178.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.702 ' HG2' ' HG2' ' A' ' 39' ' ' GLU . 61.0 mtm180 -79.51 134.27 36.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.207 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.2 mt -126.1 169.07 13.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.47 0.652 . . . . 0.0 111.987 -173.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.503 ' HB2' ' HG3' ' A' ' 59' ' ' GLN . 96.7 mt-30 -90.81 174.16 7.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.519 171.18 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.44 -44.76 86.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.261 0.553 . . . . 0.0 110.518 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -69.77 -21.61 63.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.994 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.503 ' HG3' ' HB2' ' A' ' 56' ' ' GLN . 92.3 mt-30 -84.04 -31.7 25.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.251 0.548 . . . . 0.0 109.7 176.142 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -68.07 -23.07 64.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.937 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -80.97 -10.31 59.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.481 176.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.15 -8.11 46.55 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -172.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -139.47 141.37 37.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.989 0.423 . . . . 0.0 111.096 179.228 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.4 m -110.4 139.32 45.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.204 -176.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 69.9 t -64.96 129.06 28.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.574 176.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.88 -25.0 25.83 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 121.011 -0.614 . . . . 0.0 111.936 -177.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -75.94 96.15 3.69 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.281 0.563 . . . . 0.0 110.447 -177.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.536 ' HG2' HG22 ' A' ' 10' ' ' VAL . 73.0 mt-30 -60.24 128.2 35.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.065 174.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.32 172.28 37.52 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.348 -0.93 . . . . 0.0 112.413 -177.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.443 ' HA ' ' HA ' ' A' ' 8' ' ' GLN . 22.9 m -82.72 141.26 32.54 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.034 0.445 . . . . 0.0 111.009 -175.407 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.605 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 61.2 tp -117.39 127.99 54.58 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.052 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.547 ' HB3' HD21 ' A' ' 4' ' ' LEU . 19.2 m -104.04 115.85 31.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.873 178.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.478 ' HA ' HG23 ' A' ' 79' ' ' VAL . 52.2 p90 -144.52 164.69 30.15 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.922 0.391 . . . . 0.0 110.686 178.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.438 ' HE3' HD13 ' A' ' 4' ' ' LEU . 92.3 mttt -131.83 111.86 11.98 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 177.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.71 -114.39 5.06 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.003 -1.094 . . . . 0.0 110.933 -174.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 37.5 p -117.29 13.96 14.68 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.711 0.291 . . . . 0.0 111.008 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 23.4 ttp180 -102.65 127.67 49.66 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.073 0.464 . . . . 0.0 111.329 -178.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -68.28 118.34 11.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.129 177.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.478 HG23 ' HA ' ' A' ' 73' ' ' TYR . 66.4 t -96.96 -46.85 12.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.805 0.336 . . . . 0.0 110.255 178.443 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 176.21 148.18 6.84 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.377 177.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -96.08 129.98 43.22 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 176.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 47.0 t -122.85 94.72 3.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.184 0.516 . . . . 0.0 110.65 -176.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.3 t -89.64 155.67 19.08 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 174.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -103.55 9.2 37.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.358 0.599 . . . . 0.0 109.411 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.475 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 89.3 m -83.98 108.36 13.68 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.273 171.487 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' A' ' 85' ' ' THR . 2.1 Cg_endo -80.81 137.16 11.02 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.654 2.236 . . . . 0.0 113.338 -172.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -157.19 130.99 8.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.844 173.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -103.5 -29.07 11.39 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.284 -0.417 . . . . 0.0 109.95 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 59.18 34.92 23.42 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.894 0.854 . . . . 0.0 109.086 -174.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 59.3 tp -83.66 88.57 7.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.146 -176.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -78.21 156.02 30.03 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 174.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -76.81 8.13 4.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.464 0.649 . . . . 0.0 110.724 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -135.35 113.34 11.14 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 166.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -62.87 -22.83 66.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.123 0.487 . . . . 0.0 111.199 -172.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -141.0 141.11 34.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.614 173.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -75.1 90.75 2.52 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.528 -174.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 24.6 m170 . . . . . 0 C--O 1.249 1.077 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.537 174.352 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.8 mtm . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.29 100.75 48.48 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.941 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -88.87 6.09 4.79 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 123.166 2.578 . . . . 0.0 112.639 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 73' ' ' TYR . 1.6 pt? -96.23 158.65 15.34 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -100.84 123.32 44.86 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.926 0.393 . . . . 0.0 110.739 -178.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.459 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 91.8 mt-30 -122.89 109.59 14.34 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.042 176.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -148.48 163.86 35.92 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.583 ' HA ' ' HA ' ' A' ' 70' ' ' THR . 82.6 mt-30 -86.22 134.24 33.79 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 121.019 0.438 . . . . 0.0 110.423 -178.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.616 HG12 ' HA ' ' A' ' 44' ' ' PRO . 31.6 m -131.38 169.65 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.081 -176.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.507 HG22 ' HG2' ' A' ' 68' ' ' GLN . 26.0 t -104.18 117.71 50.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.503 175.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.597 HG21 HD11 ' A' ' 63' ' ' LEU . 40.9 t -68.48 100.07 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 171.295 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.3 m -77.26 -54.76 6.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.053 -170.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -173.9 163.98 4.16 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -177.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -95.57 140.48 30.34 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 176.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -145.21 152.82 40.58 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.921 0.391 . . . . 0.0 110.678 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -112.4 102.4 10.53 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 176.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -90.68 140.68 26.57 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 121.201 0.524 . . . . 0.0 111.411 -173.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -81.8 105.45 1.53 Allowed 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 122.042 1.828 . . . . 0.0 111.821 176.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.1 t -122.52 92.32 2.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -108.41 88.09 2.65 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.533 -172.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -142.94 172.38 12.77 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 170.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -66.37 -47.57 72.97 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -170.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.1 mtp85 -136.06 98.68 3.93 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.969 0.414 . . . . 0.0 111.091 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.6 t -89.34 172.93 8.67 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.139 178.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.578 HH11 HG21 ' A' ' 76' ' ' THR . 56.1 mtm180 -86.88 10.63 15.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.075 0.464 . . . . 0.0 111.08 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -114.89 21.08 14.65 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.63 174.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -112.52 125.16 53.94 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -169.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -131.53 177.72 7.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.466 171.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.9 t -102.08 -7.45 9.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.804 0.811 . . . . 0.0 108.98 174.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 m -65.12 134.93 96.07 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 114.803 -1.09 . . . . 0.0 110.955 -177.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -65.77 104.83 0.71 Allowed 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.472 2.114 . . . . 0.0 110.615 171.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.23 -19.61 56.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.514 -174.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.73 -53.87 4.75 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.498 -177.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.9 m -72.93 95.64 2.0 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 176.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.3 m -61.2 -46.3 91.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.241 -175.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 85.0 mtp -91.3 117.37 29.6 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.137 0.494 . . . . 0.0 110.69 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.477 HH21 ' CD ' ' A' ' 39' ' ' GLU . 14.1 ptm180 -63.54 122.4 16.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.131 -177.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -109.27 111.06 22.43 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 172.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.74 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 37.0 mt-10 -104.48 146.45 28.85 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.55 138.52 52.48 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 120.953 0.406 . . . . 0.0 110.608 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.8 m -94.62 117.57 30.34 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.223 178.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -102.87 119.26 38.53 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.818 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -103.5 106.49 52.16 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.052 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.616 ' HA ' HG12 ' A' ' 9' ' ' VAL . 43.4 Cg_exo -57.21 132.3 50.33 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.762 2.308 . . . . 0.0 112.047 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.7 mt -57.52 -55.8 30.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.331 -176.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -101.57 92.14 4.75 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.742 0.306 . . . . 0.0 111.449 -175.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.47 81.4 0.1 Allowed Glycine 0 N--CA 1.452 -0.261 0 CA-C-N 115.815 -0.63 . . . . 0.0 113.278 175.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.53 ' HA3' ' HB2' ' A' ' 44' ' ' PRO . . . -160.9 144.05 9.53 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.582 179.009 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.7 tp -90.19 157.26 17.8 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 177.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.43 120.6 10.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.009 0.433 . . . . 0.0 111.93 -177.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -101.47 130.13 47.66 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 170.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.433 HG22 ' HB3' ' A' ' 39' ' ' GLU . 13.3 m -107.31 128.57 54.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.783 0.325 . . . . 0.0 110.976 -175.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -122.92 136.67 54.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.594 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.74 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 77.0 ttt180 -74.11 118.34 16.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.846 178.087 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 78.7 mt -111.05 152.18 27.19 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.886 0.374 . . . . 0.0 111.394 -175.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -92.5 169.49 10.5 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 171.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.04 -43.62 78.03 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -177.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -60.78 -39.39 88.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.955 0.407 . . . . 0.0 110.812 -177.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -75.02 -28.97 60.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.691 -176.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -80.8 -33.57 34.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.67 178.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -64.48 -33.28 75.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.92 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.86 -3.33 59.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.046 0.45 . . . . 0.0 110.762 177.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.597 HD11 HG21 ' A' ' 11' ' ' VAL . 33.6 tp -103.05 142.78 33.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.378 -176.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.561 ' HB ' ' HB2' ' A' ' 67' ' ' ASP . 89.3 m -123.28 135.07 54.05 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.313 177.139 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 39.1 t -74.12 122.59 27.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.056 0.455 . . . . 0.0 110.144 177.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.02 -5.61 56.32 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 -174.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.561 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 21.5 t70 -76.64 94.23 3.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.31 0.576 . . . . 0.0 110.141 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.507 ' HG2' HG22 ' A' ' 10' ' ' VAL . 96.6 mt-30 -70.44 115.36 9.53 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.724 173.353 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.44 175.78 38.01 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.177 -176.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.583 ' HA ' ' HA ' ' A' ' 8' ' ' GLN . 11.5 m -78.79 135.62 37.14 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.095 0.474 . . . . 0.0 111.466 -173.375 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.459 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 58.0 tp -117.47 134.39 54.9 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.753 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.407 ' O ' ' HB ' ' A' ' 79' ' ' VAL . 40.6 t -122.42 122.53 39.2 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.848 -179.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.415 ' O ' ' HB2' ' A' ' 4' ' ' LEU . 26.0 p90 -149.04 143.66 26.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.87 0.367 . . . . 0.0 110.439 179.184 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -122.77 126.23 47.04 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.672 -174.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.1 -114.19 6.53 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.487 -0.863 . . . . 0.0 110.997 -174.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.578 HG21 HH11 ' A' ' 25' ' ' ARG . 22.8 p -120.53 13.58 11.76 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.066 0.46 . . . . 0.0 110.622 175.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 77' ' ' ARG . 36.9 ttt-85 -108.36 138.72 44.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.129 0.49 . . . . 0.0 110.856 -176.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -73.57 121.86 21.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.33 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.407 ' HB ' ' O ' ' A' ' 72' ' ' SER . 86.6 t -91.31 -58.06 3.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.523 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -177.54 170.65 43.18 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.583 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -131.3 133.0 44.94 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 47.4 t -128.65 102.6 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.419 -178.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.2 m -58.75 126.05 26.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.581 177.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.443 ' O ' ' HD3' ' A' ' 86' ' ' PRO . 38.7 ptt180 -69.95 119.37 14.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.24 0.543 . . . . 0.0 110.263 -177.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.9 m -101.12 103.17 23.91 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.583 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.443 ' HD3' ' O ' ' A' ' 84' ' ' ARG . 86.5 Cg_endo -87.07 170.25 7.18 Favored 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 122.804 2.336 . . . . 0.0 112.339 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.953 ' HB2' ' HB2' ' A' ' 90' ' ' LEU . 7.8 m-20 -101.48 149.65 23.86 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.481 178.109 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -65.91 -48.0 72.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.68 -176.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -99.53 15.81 25.33 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.233 -176.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.953 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 52.4 tp -61.93 -37.37 84.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.985 -177.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -105.92 108.65 20.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.293 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -98.02 137.47 36.78 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -109.3 127.17 54.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.19 0.519 . . . . 0.0 112.237 -175.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -102.36 128.72 48.81 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.923 174.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -121.68 98.68 6.07 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 175.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -71.6 106.94 4.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.503 -177.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 58.6 t60 . . . . . 0 C--O 1.245 0.838 0 CA-C-O 118.428 -0.796 . . . . 0.0 109.827 176.264 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.7 mtp . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 120.763 0.316 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.8 144.66 17.46 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.964 177.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.416 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 23.7 Cg_exo -64.75 157.82 54.01 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.394 2.063 . . . . 0.0 111.714 175.659 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.548 HD11 ' HB3' ' A' ' 72' ' ' SER . 22.2 tp -101.43 125.66 48.11 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.762 -175.191 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -99.24 119.4 37.84 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 174.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.489 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 94.2 mt-30 -116.25 127.71 54.97 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.123 -177.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -143.73 140.79 30.17 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 174.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.55 ' HA ' ' HA ' ' A' ' 70' ' ' THR . 75.8 mt-30 -76.83 130.0 37.03 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.122 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.2 m -133.33 177.67 6.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.672 -175.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.53 HG22 ' HG2' ' A' ' 68' ' ' GLN . 25.4 t -117.25 132.44 67.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.553 176.063 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.4 t -78.6 100.59 3.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 174.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.498 ' OG ' ' HB2' ' A' ' 43' ' ' LYS . 6.9 m -72.62 -65.72 0.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -168.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.492 ' HB3' HH11 ' A' ' 15' ' ' ARG . 17.8 t-20 -146.35 153.14 40.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.959 0.409 . . . . 0.0 110.739 -171.194 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.542 ' HD3' ' CZ ' ' A' ' 60' ' ' TYR . 18.7 ttpp -112.05 123.45 50.3 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.8 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.492 HH11 ' HB3' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -138.68 179.7 6.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.162 0.506 . . . . 0.0 110.354 176.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -131.87 105.28 7.35 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 170.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.455 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 62.1 mmtt -90.07 119.98 69.28 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-O 121.012 0.434 . . . . 0.0 110.708 -175.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -52.93 116.52 2.97 Favored 'Trans proline' 0 CA--C 1.518 -0.325 0 C-N-CA 123.331 2.687 . . . . 0.0 112.405 -175.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.7 t -77.67 91.33 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 176.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -79.92 97.83 6.89 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.113 -178.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -80.88 153.51 27.56 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.728 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -103.14 3.11 35.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.707 -172.494 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.9 tpt85 -134.37 -88.42 0.38 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 121.218 -0.193 . . . . 0.0 110.844 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 65.4 p 178.21 166.29 0.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 122.783 0.433 . . . . 0.0 109.907 -177.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -83.22 0.92 43.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.166 0.508 . . . . 0.0 110.255 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -74.9 -18.4 60.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.094 -177.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -77.15 -50.73 12.33 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.088 -177.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -92.63 -174.44 3.65 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.932 -178.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 36.3 t -68.1 -45.27 83.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-O 121.1 0.476 . . . . 0.0 110.217 178.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.2 t 65.54 82.65 0.2 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.796 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -95.61 19.46 0.6 Allowed 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 123.32 2.68 . . . . 0.0 111.723 176.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 71.28 -45.84 0.63 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.781 0.832 . . . . 0.0 111.992 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.55 -66.58 3.86 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.703 ' HB ' ' HG2' ' A' ' 37' ' ' ARG . 28.3 m -157.03 129.17 7.29 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 175.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.3 m -55.91 -57.97 9.86 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.199 0.523 . . . . 0.0 110.597 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 84.9 mtp -123.96 117.15 24.11 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 173.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.703 ' HG2' ' HB ' ' A' ' 34' ' ' THR . 75.9 mtm-85 -91.53 147.7 22.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.115 0.483 . . . . 0.0 110.798 -174.44 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.512 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 16.7 m-85 -115.24 101.81 9.29 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 173.175 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -103.37 123.38 46.72 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.165 -176.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.47 137.01 53.47 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.259 0.552 . . . . 0.0 111.474 -169.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.439 ' HA ' ' HA ' ' A' ' 52' ' ' THR . 15.7 m -95.56 132.72 40.38 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.979 177.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -102.76 132.63 48.79 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.242 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.502 ' HB3' ' HB ' ' A' ' 10' ' ' VAL . 55.0 tttp -95.32 111.63 55.82 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.957 -176.455 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.69 124.69 11.79 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.81 2.34 . . . . 0.0 112.066 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.3 mt -78.71 -12.02 60.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.054 0.454 . . . . 0.0 110.738 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -125.03 96.92 5.04 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 175.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.67 -140.18 15.65 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.708 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -155.39 -161.01 10.29 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.021 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 54.6 tp 64.67 98.54 0.04 OUTLIER 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.437 0.636 . . . . 0.0 111.236 -177.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -68.21 128.44 36.57 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.407 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -90.8 115.25 27.72 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.36 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 41' ' ' SER . 42.8 m -95.41 115.79 27.91 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.875 0.369 . . . . 0.0 110.274 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -113.34 137.6 51.27 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.967 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 51.8 mtt-85 -78.99 129.83 34.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.806 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' A' ' 38' ' ' TYR . 95.4 mt -122.29 141.62 51.33 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.174 0.511 . . . . 0.0 110.71 -178.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -80.95 171.8 14.54 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.3 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.75 -60.96 2.65 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -174.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -60.53 -23.06 64.28 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -177.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -72.65 -48.2 41.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.736 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.542 ' CZ ' ' HD3' ' A' ' 14' ' ' LYS . 88.6 t80 -64.19 -25.7 68.19 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.094 -179.264 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -53.42 -30.33 39.79 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.582 0.229 . . . . 0.0 111.441 177.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.82 3.56 52.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 0.0 111.406 -178.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -106.62 135.64 47.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.485 ' HB ' ' HB2' ' A' ' 67' ' ' ASP . 22.1 m -123.26 121.74 36.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.138 178.397 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.6 t -67.62 125.32 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.931 0.396 . . . . 0.0 110.683 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.16 -19.63 53.73 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.839 -0.618 . . . . 0.0 112.07 -176.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.485 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 19.8 t70 -75.81 98.76 4.24 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 122.636 -0.332 . . . . 0.0 110.279 -176.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.53 ' HG2' HG22 ' A' ' 10' ' ' VAL . 92.2 mt-30 -54.77 127.19 27.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.343 171.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.48 176.06 38.02 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.702 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.55 ' HA ' ' HA ' ' A' ' 8' ' ' GLN . 12.6 m -89.28 144.37 26.14 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.894 0.378 . . . . 0.0 110.547 -175.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.489 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 45.3 tp -117.33 118.99 33.78 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -178.205 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.548 ' HB3' HD11 ' A' ' 4' ' ' LEU . 50.3 m -101.55 108.33 19.87 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.813 178.683 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -133.02 157.85 44.2 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.589 -178.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 3' ' ' PRO . 99.3 mttt -124.54 110.07 14.01 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.07 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.36 -114.47 6.53 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.312 -174.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 25.2 p -109.05 8.06 26.01 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.973 0.416 . . . . 0.0 111.191 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -107.75 124.34 49.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.135 0.493 . . . . 0.0 111.54 -174.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -65.73 124.21 21.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.32 175.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.404 HG21 ' HG3' ' A' ' 74' ' ' LYS . 59.1 t -99.71 -62.51 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.18 177.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -160.56 154.01 24.98 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.512 -0.852 . . . . 0.0 112.699 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -102.42 111.98 24.51 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 177.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 50.8 t -103.8 103.83 15.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.173 0.511 . . . . 0.0 110.73 -175.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 p -77.28 114.42 16.08 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.884 175.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -85.12 -0.59 55.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.929 0.395 . . . . 0.0 110.828 -176.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 36.1 m -69.07 116.8 45.55 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.609 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -77.4 152.84 30.62 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.804 2.336 . . . . 0.0 112.721 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -61.06 -37.58 83.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.503 0.668 . . . . 0.0 109.895 176.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -116.07 100.21 7.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.693 175.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -71.15 -14.88 62.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.088 0.471 . . . . 0.0 110.007 176.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.9 mt -66.64 -23.22 66.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.018 174.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -76.22 92.13 3.25 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 172.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -75.53 105.62 6.66 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.876 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -70.4 131.05 43.5 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.374 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -68.98 -41.57 77.71 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.398 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -87.03 103.87 15.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.737 177.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -106.65 82.87 1.77 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.117 178.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 . . . . . 0 C--O 1.246 0.876 0 CA-C-O 118.303 -0.856 . . . . 0.0 109.167 179.835 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.5 mtm . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.76 110.71 34.56 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 174.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -73.63 162.05 40.65 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.472 2.115 . . . . 0.0 112.053 -177.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.589 ' HA ' ' HA ' ' A' ' 74' ' ' LYS . 1.7 pt? -87.37 132.03 34.09 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.435 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -82.33 115.87 21.57 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 178.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.49 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 40.8 mt-30 -101.57 109.08 20.82 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 174.212 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -134.45 137.69 44.17 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.078 -174.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.476 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 78.1 mt-30 -76.35 107.58 8.71 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 173.487 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 22.8 m -115.22 165.67 10.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.417 -174.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.513 HG22 ' HG2' ' A' ' 68' ' ' GLN . 23.0 t -101.7 119.13 49.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.811 175.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.491 HG21 HD11 ' A' ' 63' ' ' LEU . 38.4 t -66.29 101.23 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 171.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.6 t -87.54 -63.51 1.29 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.191 -167.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -149.59 161.56 41.93 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -173.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.631 ' HD2' ' HD1' ' A' ' 38' ' ' TYR . 7.0 ttpm? -96.4 138.58 33.78 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.066 0.46 . . . . 0.0 110.028 177.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.441 ' HA ' ' NE ' ' A' ' 15' ' ' ARG . 2.3 mmp_? -122.25 103.16 8.57 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.825 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.555 ' O ' ' HD3' ' A' ' 18' ' ' PRO . 49.8 mt-10 -88.68 100.24 12.96 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 178.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -92.08 108.35 29.75 Favored Pre-proline 0 C--N 1.324 -0.507 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.187 173.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.555 ' HD3' ' O ' ' A' ' 16' ' ' GLU . 2.0 Cg_endo -82.76 105.23 1.36 Allowed 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 122.611 2.207 . . . . 0.0 109.562 168.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.467 ' HB ' ' NH2' ' A' ' 37' ' ' ARG . 48.2 t -105.56 99.56 8.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.132 0.491 . . . . 0.0 111.626 -171.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -84.98 120.19 26.24 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 170.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.56 -21.51 66.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.378 0.609 . . . . 0.0 110.586 -177.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.6 mtt-85 -119.71 -161.54 0.87 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 175.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 64.2 mtt-85 -88.02 169.18 12.2 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 171.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.3 m -72.44 94.88 1.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 172.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -68.09 135.49 52.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.927 -173.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -77.83 -11.21 59.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.865 -172.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -69.25 -56.2 8.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.17 0.509 . . . . 0.0 110.215 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -102.99 110.63 22.61 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.978 -178.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.506 ' O ' ' HD3' ' A' ' 31' ' ' PRO . 19.5 t -105.14 74.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.324 0.583 . . . . 0.0 109.804 -175.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.9 m -103.78 96.47 9.15 Favored Pre-proline 0 C--N 1.317 -0.806 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.638 176.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.506 ' HD3' ' O ' ' A' ' 29' ' ' VAL . 13.3 Cg_exo -70.51 -15.67 34.3 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.068 2.512 . . . . 0.0 112.189 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.22 7.06 47.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.67 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.34 76.47 1.28 Allowed Glycine 0 N--CA 1.45 -0.413 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 174.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.4 p -79.0 143.09 36.03 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.553 0.692 . . . . 0.0 112.265 -172.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.7 t -125.58 23.29 7.46 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 176.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 46.3 mtm -66.22 99.22 0.51 Allowed 'General case' 0 C--O 1.235 0.336 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.158 -175.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.467 ' NH2' ' HB ' ' A' ' 19' ' ' VAL . 69.1 mtm-85 -105.92 120.4 41.64 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 172.051 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.631 ' HD1' ' HD2' ' A' ' 14' ' ' LYS . 77.2 m-85 -77.66 106.45 9.47 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.006 -173.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.798 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 42.5 mt-10 -103.26 154.51 19.27 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.69 142.31 47.79 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.571 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.563 ' HB3' ' HB3' ' A' ' 50' ' ' GLU . 24.7 m -94.0 119.98 33.62 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.764 175.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -102.75 112.68 25.58 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.196 0.522 . . . . 0.0 109.738 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.446 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 87.3 tttt -95.19 115.28 65.27 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.258 -175.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 18.3 Cg_exo -66.66 136.07 41.03 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.882 2.388 . . . . 0.0 112.255 -178.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.3 mt -66.72 -13.48 61.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.453 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -92.87 20.19 6.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.913 0.387 . . . . 0.0 110.656 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.23 87.59 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.367 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -150.65 177.49 28.67 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.225 -177.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.431 HD12 ' N ' ' A' ' 49' ' ' LEU . 6.1 mp -71.62 141.19 49.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.854 0.359 . . . . 0.0 110.573 -178.082 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.563 ' HB3' ' HB3' ' A' ' 41' ' ' SER . 41.3 mt-10 -72.36 115.57 11.77 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.409 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -82.3 139.85 33.92 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.488 HG22 ' HB3' ' A' ' 39' ' ' GLU . 8.9 m -113.33 113.99 26.02 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.539 -175.308 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -116.19 140.94 48.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.897 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.798 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 78.2 mtt85 -73.76 140.92 46.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.333 -178.136 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.2 mt -141.72 166.07 25.75 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.227 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -102.38 167.05 10.21 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.664 174.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.16 -40.39 73.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.868 0.366 . . . . 0.0 111.199 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -61.41 -49.34 77.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.709 177.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -65.25 -37.93 88.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.018 -179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.602 ' CZ ' ' HD3' ' A' ' 14' ' ' LYS . 70.5 t80 -66.36 -32.44 73.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.713 -178.411 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -95.15 -6.83 40.9 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.39 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.36 -8.0 57.12 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 167.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.491 HD11 HG21 ' A' ' 11' ' ' VAL . 55.6 tp -109.9 149.36 30.0 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 114.11 -1.405 . . . . 0.0 108.998 177.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.551 ' HB ' ' HB2' ' A' ' 67' ' ' ASP . 20.2 m -123.44 126.91 47.63 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.333 178.063 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 51.6 t -65.83 116.58 5.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.27 -15.31 30.38 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.473 -174.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.551 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 27.6 t0 -75.51 93.04 2.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.467 0.651 . . . . 0.0 109.888 178.401 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.513 ' HG2' HG22 ' A' ' 10' ' ' VAL . 81.7 mt-30 -76.98 119.41 20.67 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.072 178.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.476 ' O ' ' HA ' ' A' ' 8' ' ' GLN . . . -161.42 -171.36 27.35 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.032 -177.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.49 ' HB ' ' HB ' ' A' ' 82' ' ' VAL . 25.1 m -75.58 129.8 37.79 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.095 0.474 . . . . 0.0 111.339 -175.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.49 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 53.6 tp -117.28 127.33 53.97 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 174.251 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.455 ' HB3' HD12 ' A' ' 4' ' ' LEU . 22.3 m -117.59 117.9 30.68 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.204 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.414 ' HA ' HG23 ' A' ' 79' ' ' VAL . 25.9 p90 -144.07 135.28 25.56 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.186 0.517 . . . . 0.0 110.259 179.222 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 4' ' ' LEU . 56.7 tttm -102.52 107.46 18.43 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.765 -174.163 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.75 -114.51 4.41 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.231 -0.985 . . . . 0.0 110.914 -174.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.7 m -117.08 15.79 15.03 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.47 0.653 . . . . 0.0 109.747 175.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 -105.74 125.8 51.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.625 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -68.78 123.53 21.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.588 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.452 ' HB ' ' O ' ' A' ' 72' ' ' SER . 97.8 t -96.27 -59.1 3.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.8 0.333 . . . . 0.0 110.131 177.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -177.13 159.54 25.93 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.553 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -110.7 131.8 54.74 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.49 ' HB ' ' HB ' ' A' ' 70' ' ' THR . 42.7 t -118.22 98.01 6.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.407 -177.079 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.9 m -72.65 173.67 8.67 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.685 177.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -55.99 -48.14 76.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.271 0.558 . . . . 0.0 110.069 175.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 60.7 m -144.89 101.67 4.54 Favored Pre-proline 0 C--N 1.318 -0.763 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.662 173.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -77.91 -172.95 1.63 Allowed 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.872 2.382 . . . . 0.0 112.979 -176.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -79.85 158.14 26.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.689 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -86.18 -5.88 59.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.172 -176.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 74.48 -50.95 0.68 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.902 0.881 . . . . 0.0 111.672 177.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -82.26 112.49 19.31 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 177.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -61.72 105.54 0.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.566 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -82.2 103.07 11.53 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 172.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -64.79 -11.51 37.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.331 -168.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -67.5 -20.74 65.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.973 0.416 . . . . 0.0 110.173 174.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -121.82 126.82 49.67 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 174.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -100.9 126.13 47.5 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.081 0.467 . . . . 0.0 111.147 -174.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.445 -0.788 . . . . 0.0 109.515 174.254 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.3 ttp . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.48 135.26 21.96 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.79 -178.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -58.98 -34.42 99.14 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.872 2.382 . . . . 0.0 111.433 173.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.506 HD11 HG21 ' A' ' 79' ' ' VAL . 28.6 tp -68.67 123.1 19.97 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 172.299 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -80.41 112.15 17.48 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.313 0.578 . . . . 0.0 110.208 -175.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.554 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 97.0 mt-30 -112.35 109.99 19.94 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.335 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.509 ' HD3' ' N ' ' A' ' 8' ' ' GLN . 6.4 tmtm? -126.73 133.82 50.8 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -178.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.509 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 90.8 mt-30 -79.33 123.25 27.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.126 0.488 . . . . 0.0 110.541 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.493 HG12 ' HA ' ' A' ' 44' ' ' PRO . 15.4 m -133.91 171.04 18.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.166 -176.167 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.577 HG22 ' HG2' ' A' ' 68' ' ' GLN . 3.1 t -103.65 137.39 32.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.583 176.556 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.404 ' HB ' ' HA ' ' A' ' 65' ' ' VAL . 42.5 t -87.98 100.3 10.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 173.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.3 m -73.85 -61.71 1.75 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.669 -174.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -165.54 174.13 10.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.432 -176.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -93.98 160.74 14.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.269 176.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -151.87 143.32 23.45 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.18 174.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -110.77 123.15 49.51 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 173.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.454 ' HB2' ' NH2' ' A' ' 37' ' ' ARG . 43.5 mttp -89.71 126.83 56.52 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 173.65 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 31.3 Cg_exo -59.04 115.22 2.41 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.68 2.254 . . . . 0.0 111.231 176.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.1 t -83.32 92.88 2.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.549 -176.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -67.87 -23.2 65.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.537 0.684 . . . . 0.0 109.533 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -70.34 -22.52 62.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.774 177.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -90.14 -51.32 5.51 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -123.68 112.33 17.25 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 176.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.3 m -97.0 -23.9 16.06 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.099 -170.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.6 ttm-85 -82.72 112.19 19.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.062 0.458 . . . . 0.0 110.189 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -90.82 1.39 56.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.226 -177.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -89.03 11.15 19.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.903 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -98.49 155.11 17.42 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.232 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.2 t -71.8 -53.91 18.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.061 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 m 59.05 89.82 0.1 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.703 179.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.85 31.78 0.41 Allowed 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 122.904 2.403 . . . . 0.0 112.585 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -156.4 93.8 1.43 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.702 -178.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.46 22.05 29.18 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.795 -176.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.7 t -137.46 167.89 20.74 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.023 0.44 . . . . 0.0 109.974 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.8 m -146.41 169.92 17.9 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 85.2 mtp -77.75 3.38 14.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.804 0.335 . . . . 0.0 111.376 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.454 ' NH2' ' HB2' ' A' ' 17' ' ' LYS . 3.3 tmm_? -92.19 94.5 9.23 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 176.107 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -105.27 124.68 49.95 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.226 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.799 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 41.8 mt-10 -105.68 163.9 12.33 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.015 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.5 ' O ' ' HA ' ' A' ' 52' ' ' THR . . . -123.91 143.62 50.27 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.657 0.265 . . . . 0.0 111.099 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.5 m -94.65 119.54 33.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.159 177.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -102.98 117.33 34.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.381 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.454 ' HB3' ' HB ' ' A' ' 10' ' ' VAL . 87.0 tttt -95.38 118.79 66.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.684 -175.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.493 ' HA ' HG12 ' A' ' 9' ' ' VAL . 21.3 Cg_exo -66.1 129.31 21.47 Favored 'Trans proline' 0 CA--C 1.53 0.285 0 C-N-CA 122.972 2.448 . . . . 0.0 112.506 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.13 -31.67 72.87 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.339 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -95.59 18.61 12.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.439 0.638 . . . . 0.0 110.47 -177.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.68 149.67 15.05 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.037 -177.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.32 179.96 25.62 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.3 mt -83.13 134.87 34.97 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.934 0.397 . . . . 0.0 110.396 177.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -68.32 114.54 6.87 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.762 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -82.49 128.92 34.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.226 -178.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 28.3 m -103.84 104.03 13.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.737 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -100.02 144.77 28.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.799 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 0.9 OUTLIER -74.42 134.77 42.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.029 -177.378 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.8 mt -132.54 179.73 5.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.267 178.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.453 ' H ' ' HB3' ' A' ' 59' ' ' GLN . 83.4 mt-30 -119.27 178.83 4.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.092 173.21 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.61 -51.17 69.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.488 -177.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -69.0 -26.79 65.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.246 -179.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.453 ' HB3' ' H ' ' A' ' 56' ' ' GLN . 23.8 tp60 -73.09 -45.27 58.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.079 178.512 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -66.93 -22.93 65.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.1 0.476 . . . . 0.0 110.148 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -65.78 -19.86 66.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.532 176.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -102.91 -0.65 30.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.031 0.443 . . . . 0.0 110.755 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.417 HD23 ' O ' ' A' ' 59' ' ' GLN . 2.9 mm? -88.69 107.27 18.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.568 -179.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.8 m -86.2 100.48 12.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.109 0.48 . . . . 0.0 110.515 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.404 ' HA ' ' HB ' ' A' ' 11' ' ' VAL . 53.3 t -60.96 135.96 25.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.283 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.45 -32.13 4.58 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.299 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -78.83 97.26 5.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.282 0.563 . . . . 0.0 110.673 -174.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.577 ' HG2' HG22 ' A' ' 10' ' ' VAL . 60.7 mt-30 -47.68 131.89 14.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.554 -1.203 . . . . 0.0 110.433 173.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 1.106 ' HA3' ' HA ' ' A' ' 83' ' ' SER . . . -161.42 -172.93 29.43 Favored Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 120.23 -0.986 . . . . 0.0 112.599 -177.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.3 m -91.11 134.28 34.66 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.977 0.418 . . . . 0.0 111.297 -173.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.554 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 60.3 tp -117.38 122.14 43.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.871 179.212 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.497 ' HB3' HD21 ' A' ' 4' ' ' LEU . 21.0 m -107.79 112.59 25.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.455 -179.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -142.16 164.66 29.57 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.644 177.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -134.82 98.57 4.07 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.49 -114.28 4.08 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.282 -175.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.3 p -104.6 0.16 28.29 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.909 0.385 . . . . 0.0 111.096 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 77' ' ' ARG . 32.2 ttt180 -92.71 118.54 31.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.244 -177.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -72.44 123.69 23.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.597 173.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.506 HG21 HD11 ' A' ' 4' ' ' LEU . 61.6 t -101.67 -50.62 9.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.643 0.259 . . . . 0.0 110.536 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -178.17 147.79 8.18 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.397 178.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -121.09 127.4 51.61 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 177.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 66.9 t -135.13 102.02 3.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.605 -0.516 . . . . 0.0 109.605 178.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . 1.106 ' HA ' ' HA3' ' A' ' 69' ' ' GLY . 20.3 m -54.34 -70.42 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.289 0.566 . . . . 0.0 109.906 177.214 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 29.1 ttm-85 -162.21 16.81 0.09 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.629 175.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.461 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 1.5 p -94.48 131.08 31.78 Favored Pre-proline 0 N--CA 1.448 -0.529 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.989 -172.417 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 85' ' ' THR . 13.3 Cg_exo -70.06 125.46 12.01 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.909 2.406 . . . . 0.0 112.016 176.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -86.86 1.98 50.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.145 0.498 . . . . 0.0 110.915 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -75.11 -11.91 60.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.062 -176.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -91.83 10.13 29.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.17 -178.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 92.5 mt -93.2 131.49 38.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.208 178.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -83.53 112.12 19.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.119 0.485 . . . . 0.0 111.861 -177.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -98.86 93.52 6.09 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 171.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -71.01 107.82 4.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.163 0.506 . . . . 0.0 110.745 -176.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -79.15 -24.3 43.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.563 -175.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -114.73 105.29 12.87 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 -67.25 -49.02 65.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.609 -174.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 11.2 m80 . . . . . 0 C--O 1.243 0.732 0 CA-C-O 118.624 -0.703 . . . . 0.0 109.496 177.306 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.6 mtt . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 120.668 0.27 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.456 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . -82.31 -48.26 0.9 Allowed Pre-proline 0 CA--C 1.538 0.486 0 N-CA-C 113.499 0.925 . . . . 0.0 113.499 -174.38 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.456 ' HD3' ' HB3' ' A' ' 2' ' ' ALA . 76.9 Cg_exo -51.09 -40.0 60.09 Favored 'Trans proline' 0 C--N 1.361 1.227 0 C-N-CA 122.355 2.037 . . . . 0.0 112.587 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.495 HD21 ' HB2' ' A' ' 72' ' ' SER . 37.0 tp -80.91 105.04 11.83 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 174.262 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -80.16 113.81 18.6 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.118 0.485 . . . . 0.0 109.986 -176.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -100.62 123.92 45.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 -178.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.503 ' HB2' ' NZ ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -130.17 134.42 47.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.789 178.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 33.3 tt0 -80.61 113.45 18.81 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.498 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.488 HG12 ' HA ' ' A' ' 44' ' ' PRO . 33.8 m -122.18 165.49 17.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.384 -174.113 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.518 HG22 ' HG2' ' A' ' 68' ' ' GLN . 39.2 t -107.68 119.7 57.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.942 175.26 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.44 HG12 HG22 ' A' ' 65' ' ' VAL . 31.6 t -76.23 96.42 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 172.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.3 m -66.13 -53.01 43.03 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.35 -175.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -166.85 176.98 6.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.185 0.517 . . . . 0.0 111.437 -175.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.534 ' HB3' ' NZ ' ' A' ' 14' ' ' LYS . 5.2 ttpm? -100.89 111.28 23.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.666 175.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.585 ' HB2' HG21 ' A' ' 52' ' ' THR . 66.3 mtt180 -104.14 142.27 34.79 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.012 0.434 . . . . 0.0 110.342 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -120.64 110.56 16.56 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.896 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.41 ' HG3' ' OE1' ' A' ' 39' ' ' GLU . 34.0 mttp -90.2 123.35 66.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.245 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.439 ' HB2' ' OD1' ' A' ' 20' ' ' ASN . 36.2 Cg_endo -66.81 128.26 18.56 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.05 1.833 . . . . 0.0 110.554 173.106 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.474 HG12 ' HB3' ' A' ' 21' ' ' ASP . 21.7 t -74.73 -51.69 21.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.386 -175.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.439 ' OD1' ' HB2' ' A' ' 18' ' ' PRO . 19.6 m120 54.41 34.32 20.58 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.554 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.474 ' HB3' HG12 ' A' ' 19' ' ' VAL . 9.4 p-10 -80.76 168.77 18.43 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -179.179 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 -68.91 -50.19 51.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.608 -172.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -120.67 84.12 2.17 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.806 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.5 m -67.54 113.67 5.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.95 176.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.7 mtp85 -82.04 141.67 33.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.209 -177.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.404 ' OE1' ' HA ' ' A' ' 31' ' ' PRO . 23.1 mt-30 -84.6 136.11 33.91 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.358 -173.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -74.61 -38.87 62.47 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 173.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -101.12 149.73 23.66 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.108 175.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.1 t -72.6 -27.18 25.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.041 0.448 . . . . 0.0 110.81 -176.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.511 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 14.9 m -61.75 139.04 95.45 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.718 178.404 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.511 ' HD3' ' HA ' ' A' ' 30' ' ' SER . 12.2 Cg_exo -71.27 56.96 2.15 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.696 2.931 . . . . 0.0 113.414 -175.203 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -160.22 14.84 0.13 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.326 174.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.05 96.73 1.93 Allowed Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.802 -0.713 . . . . 0.0 113.399 -171.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.3 t -103.72 135.66 44.87 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 172.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.4 t -94.17 89.77 6.11 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.065 0.459 . . . . 0.0 110.292 -176.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 68.1 mtm -77.85 87.85 4.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.359 0.599 . . . . 0.0 109.634 176.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.856 ' HD3' ' HD2' ' A' ' 54' ' ' ARG . 94.8 mtt180 -90.21 128.22 36.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.512 -176.045 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.427 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 48.9 m-85 -91.97 128.18 37.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.334 -177.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.826 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 46.7 mt-10 -111.78 159.38 18.34 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.613 ' O ' ' HA ' ' A' ' 52' ' ' THR . . . -120.34 138.89 53.47 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.643 0.258 . . . . 0.0 110.991 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.2 m -94.3 113.65 25.59 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.733 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -102.84 108.65 19.95 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.863 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.591 ' HB2' ' HG2' ' A' ' 50' ' ' GLU . 88.7 tttt -95.29 109.81 47.05 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.672 178.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.488 ' HA ' HG12 ' A' ' 9' ' ' VAL . 59.1 Cg_endo -73.53 139.73 28.85 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.414 2.076 . . . . 0.0 112.113 -178.424 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.3 mt -71.37 -30.31 65.99 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.37 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -142.72 82.97 1.79 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.786 173.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -162.59 -44.09 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.233 -0.984 . . . . 0.0 113.012 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.38 -140.58 8.22 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.329 -177.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.409 ' HG ' ' N ' ' A' ' 50' ' ' GLU . 36.7 tp -78.33 164.14 25.1 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.091 0.472 . . . . 0.0 111.542 -174.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.591 ' HG2' ' HB2' ' A' ' 43' ' ' LYS . 34.0 mt-10 -63.46 120.39 11.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.315 177.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -100.39 111.36 23.62 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.902 0.382 . . . . 0.0 110.411 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.613 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 27.2 m -92.88 106.36 18.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.751 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -104.64 152.51 22.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.787 -178.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.856 ' HD2' ' HD3' ' A' ' 37' ' ' ARG . 69.2 ttp85 -75.86 134.25 40.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.742 -175.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 76.6 mt -125.36 169.04 12.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.67 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -86.34 170.0 12.43 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 171.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.86 -36.56 72.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.45 0.643 . . . . 0.0 109.324 175.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -71.96 -35.71 69.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.435 177.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -69.07 -33.03 72.91 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.388 176.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.506 ' CZ ' ' HD3' ' A' ' 14' ' ' LYS . 43.5 t80 -63.54 -35.46 80.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.165 175.52 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -65.63 -23.66 66.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.35 175.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -99.65 12.27 37.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.11 0.481 . . . . 0.0 110.952 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.0 tp -102.98 146.58 28.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.105 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.516 ' HB ' ' HB3' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -123.21 98.28 5.8 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.925 0.393 . . . . 0.0 111.172 179.787 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.44 HG22 HG12 ' A' ' 11' ' ' VAL . 27.3 t -68.9 128.9 33.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.948 0.404 . . . . 0.0 110.845 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.94 -20.87 42.86 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.115 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.516 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 27.5 t70 -81.79 90.96 6.42 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -178.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.518 ' HG2' HG22 ' A' ' 10' ' ' VAL . 72.2 mt-30 -55.78 124.11 16.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.859 177.076 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 8' ' ' GLN . . . -161.28 -170.86 26.52 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.291 -0.957 . . . . 0.0 112.395 -174.521 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.5 m -91.13 134.91 34.15 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.248 0.547 . . . . 0.0 111.559 -171.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.4 tp -117.36 117.86 30.65 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.846 178.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.495 ' HB2' HD21 ' A' ' 4' ' ' LEU . 6.7 p -94.72 112.0 23.76 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.959 176.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.436 ' HE2' ' HB3' ' A' ' 7' ' ' LYS . 39.2 p90 -135.96 151.97 50.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.198 0.523 . . . . 0.0 111.111 -177.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -118.78 93.97 4.29 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 174.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.24 -114.76 3.91 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -172.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 29.7 p -111.37 7.99 21.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.275 0.559 . . . . 0.0 110.335 174.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 77' ' ' ARG . 32.6 ttm180 -88.49 117.97 27.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.935 -179.027 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -69.43 112.63 6.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.087 -0.961 . . . . 0.0 110.117 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.7 t -91.94 -39.32 11.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.327 0.584 . . . . 0.0 109.673 177.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 174.75 149.64 7.3 Favored Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.88 177.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -108.73 118.21 36.19 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 176.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 41.8 t -101.89 96.21 4.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.792 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.478 ' HB3' ' OD2' ' A' ' 67' ' ' ASP . 11.3 m -64.73 177.32 0.95 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.156 176.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -68.31 -12.81 61.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.209 0.528 . . . . 0.0 110.578 176.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.8 p -83.46 147.1 51.98 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.114 171.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -60.62 149.29 88.0 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 122.914 2.409 . . . . 0.0 113.182 -177.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -68.91 130.03 41.63 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.982 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 63.7 t30 58.23 55.93 4.81 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.003 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -66.16 -56.15 12.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.197 176.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.0 mt -77.29 128.23 33.96 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.1 -177.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -90.33 139.95 30.17 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.986 178.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -92.79 168.79 10.95 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 177.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 50.7 t60 -86.59 7.23 27.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.975 0.417 . . . . 0.0 111.485 -171.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -108.31 -64.59 1.2 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.942 0.401 . . . . 0.0 110.127 176.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -88.97 106.65 18.56 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -99.77 150.97 21.78 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.011 0.434 . . . . 0.0 111.242 -176.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 53.8 t60 . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.623 -0.703 . . . . 0.0 109.297 175.575 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.9 mtm . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.13 137.88 68.69 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 175.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -74.2 138.09 24.62 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.06 1.84 . . . . 0.0 112.813 -178.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.544 HD11 ' HB3' ' A' ' 72' ' ' SER . 19.0 tp -83.82 99.75 10.51 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.34 175.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -82.21 112.32 19.12 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -97.95 110.37 22.95 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.161 177.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -129.39 135.07 48.24 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.45 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 72.4 mt-30 -76.01 130.34 38.25 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.172 0.511 . . . . 0.0 110.247 176.265 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.4 m -126.66 165.45 24.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.645 -178.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.485 HG22 ' HG2' ' A' ' 68' ' ' GLN . 41.0 t -101.54 122.17 53.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.18 177.123 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.0 t -72.03 96.46 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 172.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.673 ' HB3' ' HB2' ' A' ' 41' ' ' SER . 29.6 t -71.99 -56.25 5.99 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.636 -172.492 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -171.75 -176.36 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 -177.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -100.21 141.33 33.2 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 174.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -125.01 169.35 12.2 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -146.93 104.85 3.74 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.283 -176.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -112.11 103.51 55.36 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.094 173.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -74.49 105.37 2.04 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 121.939 1.759 . . . . 0.0 109.933 168.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 41.4 t -94.3 119.13 41.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.675 -174.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -71.57 155.52 40.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.764 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -128.15 147.4 50.55 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.946 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 22' ' ' ARG . 12.8 mtm180 -79.93 -5.53 55.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.008 0.433 . . . . 0.0 111.171 -173.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.7 mtt85 -82.7 -17.6 43.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.45 0.643 . . . . 0.0 109.446 173.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.3 m -91.3 161.13 15.17 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.815 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -90.14 164.57 14.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.414 0.626 . . . . 0.0 112.103 -175.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -91.98 -37.69 12.69 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 171.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -86.46 97.67 10.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.942 -1.026 . . . . 0.0 108.706 172.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 65.05 93.31 0.06 Allowed 'General case' 0 C--O 1.234 0.245 0 O-C-N 123.762 0.664 . . . . 0.0 109.811 -172.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.8 t -58.5 -32.99 46.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.136 -174.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.9 m 63.31 94.41 0.05 OUTLIER Pre-proline 0 C--O 1.233 0.189 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.206 -177.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -60.02 99.87 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.132 2.555 . . . . 0.0 112.979 -173.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -98.78 -2.1 38.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.108 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -140.05 57.82 0.6 Allowed Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.137 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.9 m -70.84 -17.29 62.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.067 0.46 . . . . 0.0 111.063 -177.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.9 p -68.99 93.19 0.55 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.305 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 69.7 mtm -75.4 96.7 3.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.728 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.2 mtt85 -81.87 107.55 14.69 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.613 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -65.47 148.31 51.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.657 -175.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.775 ' HG2' ' HG2' ' A' ' 54' ' ' ARG . 45.5 mt-10 -103.57 155.42 18.55 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.084 -178.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.62 139.85 51.54 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.836 174.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.673 ' HB2' ' HB3' ' A' ' 12' ' ' SER . 4.1 m -94.19 115.78 28.1 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.488 -179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -102.7 106.36 16.98 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.496 ' HG3' ' HG2' ' A' ' 50' ' ' GLU . 46.7 tttp -95.47 115.57 65.58 Favored Pre-proline 0 C--N 1.318 -0.763 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.402 -174.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -63.64 132.29 34.74 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.521 2.147 . . . . 0.0 111.578 178.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 44.3 mt -60.9 -60.22 4.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.503 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -120.84 81.17 1.73 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 174.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.76 -119.43 0.78 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.736 -176.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -150.67 -136.31 2.51 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.379 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.1 tp -49.19 136.15 15.64 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 122.999 0.519 . . . . 0.0 111.75 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.496 ' HG2' ' HG3' ' A' ' 43' ' ' LYS . 27.2 mt-10 -72.21 130.05 39.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.361 -178.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -86.91 117.89 25.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.885 0.374 . . . . 0.0 110.094 -179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.493 HG22 ' HB3' ' A' ' 39' ' ' GLU . 18.2 m -105.55 108.93 20.71 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.475 179.011 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -108.81 144.21 36.98 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.159 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.775 ' HG2' ' HG2' ' A' ' 39' ' ' GLU . 27.0 mtm180 -78.03 140.5 39.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.144 179.168 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.4 mt -123.31 177.82 5.42 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.08 -176.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.54 ' HB2' ' HG2' ' A' ' 59' ' ' GLN . 80.3 mt-30 -107.52 174.37 5.91 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.193 175.289 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.34 -48.13 83.09 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.96 0.409 . . . . 0.0 110.662 177.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -65.55 -30.86 71.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.032 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.54 ' HG2' ' HB2' ' A' ' 56' ' ' GLN . 80.0 mm-40 -70.24 -44.55 68.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.425 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -71.58 -19.56 62.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.22 0.533 . . . . 0.0 110.32 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -70.05 -21.96 63.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.194 175.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -101.0 -40.22 7.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.543 177.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.24 97.5 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.212 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 44.3 m -88.71 122.99 32.71 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.426 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.35 128.98 22.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.122 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.97 -18.26 57.05 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.141 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -77.88 94.73 4.6 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.323 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.485 ' HG2' HG22 ' A' ' 10' ' ' VAL . 67.5 mt-30 -65.14 128.52 36.14 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.323 174.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.45 ' O ' ' HA ' ' A' ' 8' ' ' GLN . . . -161.29 176.46 37.84 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.163 -1.018 . . . . 0.0 112.684 -175.006 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.7 m -77.22 133.54 38.86 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.116 0.484 . . . . 0.0 111.681 -172.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.1 tp -117.36 119.26 34.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.004 177.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.544 ' HB3' HD11 ' A' ' 4' ' ' LEU . 27.3 m -98.67 109.42 22.18 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.562 178.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -140.55 155.16 46.69 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.916 0.389 . . . . 0.0 110.691 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.425 ' HG2' ' HA ' ' A' ' 4' ' ' LEU . 89.9 mttt -125.38 95.53 4.5 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.643 177.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.99 -114.22 5.96 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.38 -0.914 . . . . 0.0 111.297 -174.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.7 p -96.08 -6.21 39.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.084 0.469 . . . . 0.0 110.829 176.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -79.94 107.73 12.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.026 -178.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -73.13 114.35 11.2 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 173.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.444 ' HB ' ' O ' ' A' ' 72' ' ' SER . 59.9 t -94.2 -48.79 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.655 -178.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 173.26 148.24 6.27 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.184 -1.008 . . . . 0.0 113.171 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -101.17 129.18 47.04 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 175.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 38.3 t -126.61 114.34 37.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.924 0.392 . . . . 0.0 110.916 -175.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.9 t -82.31 148.1 28.51 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 174.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 87.6 mtt-85 -90.55 4.98 49.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.772 0.32 . . . . 0.0 111.059 -175.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.4 t -132.39 118.93 16.17 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 121.143 0.497 . . . . 0.0 110.572 177.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -86.86 32.2 0.44 Allowed 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 123.071 2.514 . . . . 0.0 112.154 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -103.11 96.33 6.71 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.173 -177.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -82.65 32.91 0.41 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.999 -177.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.48 -24.02 66.35 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 177.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 78.7 mt -61.87 -30.52 70.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.53 175.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.87 -35.06 16.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.691 177.53 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -67.4 -27.33 66.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.29 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -90.63 81.88 5.83 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 167.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -77.53 106.84 9.56 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.436 -172.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -97.7 154.88 17.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.065 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -78.11 -24.97 47.3 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 170.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 . . . . . 0 C--O 1.245 0.822 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.117 178.194 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.9 mtm . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 120.77 0.319 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.78 164.5 35.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.999 -177.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.44 -31.33 77.41 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.765 2.31 . . . . 0.0 112.474 176.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.3 tp -77.39 104.74 8.09 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 170.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -80.27 112.3 17.47 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.002 -175.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.684 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 89.7 mt-30 -105.78 120.27 41.27 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.372 174.546 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -139.92 158.42 44.1 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.115 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.486 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 87.9 mt-30 -88.12 112.55 22.81 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 173.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 m -121.29 176.01 4.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.461 -175.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.3 t -114.04 129.95 69.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.094 178.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.6 t -84.17 98.08 5.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 173.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 m -72.26 -57.64 4.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.041 -173.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -162.34 163.23 28.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.046 -173.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.0 pttt -95.99 158.02 15.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.811 0.339 . . . . 0.0 110.628 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.6 mtt-85 -142.32 170.09 16.36 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 175.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.437 ' HG3' ' HB2' ' A' ' 37' ' ' ARG . 37.9 tt0 -146.87 99.17 3.15 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 169.383 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.421 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 74.6 mmtt -90.06 112.75 54.16 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-O 120.979 0.419 . . . . 0.0 110.313 174.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 17' ' ' LYS . 25.1 Cg_endo -63.36 108.9 0.89 Allowed 'Trans proline' 0 N--CA 1.456 -0.704 0 C-N-CA 122.335 2.024 . . . . 0.0 111.15 177.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.5 t -61.59 -27.69 42.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.623 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 63.44 78.99 0.27 Allowed 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.846 -175.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.7 -38.39 75.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.2 -178.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -119.49 135.68 54.66 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.89 175.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.418 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 1.6 mmp_? -94.71 92.76 7.16 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.551 177.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.6 p -103.39 144.32 31.53 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.586 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 70.0 mtt85 -67.64 -43.46 80.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.172 176.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -94.36 149.31 21.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.943 178.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -133.54 -172.4 2.95 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.059 -175.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -93.51 124.77 37.72 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.645 176.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.546 ' O ' ' HD3' ' A' ' 31' ' ' PRO . 47.7 t -73.03 -40.81 59.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 177.009 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.9 m -108.46 86.65 3.61 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.317 172.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.546 ' HD3' ' O ' ' A' ' 29' ' ' VAL . 5.5 Cg_exo -80.26 -179.96 5.67 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 123.187 2.591 . . . . 0.0 112.341 -174.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.46 -18.54 63.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.318 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.01 -51.94 2.87 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.186 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.8 m -149.0 143.4 26.08 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 178.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.9 m -92.92 -152.93 0.33 Allowed 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 89.8 mtp -108.82 31.46 5.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.21 0.529 . . . . 0.0 109.877 176.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.437 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 75.6 mtt180 -111.85 132.64 54.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.768 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -136.95 119.39 15.82 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.904 0.383 . . . . 0.0 110.25 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.83 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 35.2 mt-10 -103.48 150.47 23.85 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.01 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.57 137.2 53.4 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.769 0.319 . . . . 0.0 110.395 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.3 m -94.36 114.79 26.89 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.839 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -103.36 112.64 25.63 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.341 0.591 . . . . 0.0 109.807 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 85.8 tttt -98.65 128.52 32.5 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.383 -175.617 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 9.2 Cg_exo -72.46 145.09 41.9 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.088 2.526 . . . . 0.0 111.982 175.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.9 mt -94.32 -10.46 32.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.95 -178.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -112.37 28.9 8.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.033 0.444 . . . . 0.0 110.706 -175.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.58 133.19 4.92 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.779 -177.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.3 167.88 14.37 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.095 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.5 mt -86.06 150.48 24.42 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 177.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -69.43 125.34 26.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.405 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -93.53 114.21 26.51 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 177.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 25.0 m -99.89 109.55 21.93 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.979 0.419 . . . . 0.0 110.244 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -104.28 135.41 45.8 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.493 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.83 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 0.8 OUTLIER -74.75 131.63 40.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.717 178.888 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.2 mt -121.09 157.92 29.03 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.096 -176.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -83.82 155.74 22.83 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.372 -0.831 . . . . 0.0 108.873 174.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.1 -35.74 67.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.019 0.438 . . . . 0.0 111.443 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -70.62 -19.45 62.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.143 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -89.28 -46.37 8.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.924 178.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.417 ' HA ' ' HB2' ' A' ' 63' ' ' LEU . 69.5 t80 -66.25 -18.57 65.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.719 -178.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -61.88 -22.67 65.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.037 177.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -107.65 -2.41 20.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.213 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.417 ' HB2' ' HA ' ' A' ' 60' ' ' TYR . 2.0 mm? -78.36 133.68 37.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.1 0.476 . . . . 0.0 110.951 -176.546 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.443 ' HB ' ' HB2' ' A' ' 67' ' ' ASP . 15.1 m -123.09 116.59 23.72 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.749 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.64 127.52 26.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.972 0.415 . . . . 0.0 110.366 176.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.91 -15.64 62.66 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.262 -177.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.443 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 22.5 t70 -75.65 96.78 3.64 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.148 0.499 . . . . 0.0 110.386 -178.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -64.59 122.18 16.21 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.255 172.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.486 ' O ' ' HA ' ' A' ' 8' ' ' GLN . . . -161.29 -170.8 26.45 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.334 -173.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.9 m -92.42 131.83 37.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.131 0.491 . . . . 0.0 111.592 -171.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.684 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 64.4 tp -117.37 125.67 51.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.164 178.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.5 m -108.67 104.85 14.23 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 176.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -134.24 144.29 48.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.027 0.442 . . . . 0.0 110.145 176.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -110.64 102.07 10.67 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.647 -175.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.45 -114.26 5.06 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.426 -0.892 . . . . 0.0 111.313 -176.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.5 p -109.56 11.13 24.95 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.253 0.549 . . . . 0.0 110.577 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -108.31 111.62 23.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.204 -176.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -62.97 130.79 46.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.394 178.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 88.3 t -106.64 -57.44 4.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -168.88 142.67 7.53 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.395 -0.907 . . . . 0.0 112.802 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -112.74 136.81 51.91 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 176.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 48.7 t -122.3 104.49 14.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.635 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.0 m -57.38 125.79 24.41 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 169.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -54.29 -61.97 1.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.595 0.559 . . . . 0.0 111.99 -165.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 26.6 m 49.01 84.35 0.2 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 123.819 0.7 . . . . 0.0 111.979 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -66.3 157.54 59.57 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 122.332 2.022 . . . . 0.0 111.307 177.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.408 ' OD1' ' HB2' ' A' ' 89' ' ' GLU . 13.1 t70 -56.47 -47.18 79.75 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.24 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.416 ' OD1' ' HB3' ' A' ' 91' ' ' GLU . 4.4 t-20 62.2 33.02 17.05 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.067 168.486 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.408 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 17.0 tp10 -69.71 -28.65 66.0 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.121 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.8 tp -68.02 -32.88 73.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.817 -177.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.505 ' OE2' ' HB2' ' A' ' 93' ' ' HIS . 0.7 OUTLIER -97.39 109.82 22.5 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 176.718 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -82.13 36.89 0.47 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -163.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.505 ' HB2' ' OE2' ' A' ' 91' ' ' GLU . 66.7 m-70 -121.9 -13.37 8.25 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 167.186 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 76.34 -22.26 0.28 Allowed 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 114.924 -1.034 . . . . 0.0 110.348 -175.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.453 ' H ' ' C ' ' A' ' 93' ' ' HIS . 0.8 OUTLIER -157.88 149.77 21.94 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 123.508 0.723 . . . . 0.0 109.352 172.237 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -69.04 122.61 19.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.787 0.327 . . . . 0.0 111.367 -173.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.227 -0.892 . . . . 0.0 109.179 177.021 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.1 mmm . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 120.718 0.294 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.29 163.26 24.98 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.53 -36.06 93.65 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.347 2.032 . . . . 0.0 111.518 174.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.476 HD21 ' OG ' ' A' ' 72' ' ' SER . 36.2 tp -82.0 122.91 28.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.744 173.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -85.73 112.57 21.18 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.054 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 97.1 mt-30 -106.85 113.36 26.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.643 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -116.53 137.37 52.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.16 176.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.466 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 85.1 mt-30 -89.38 103.15 15.8 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 171.125 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.8 m -108.56 167.51 3.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.964 -171.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.76 ' HB ' ' HB3' ' A' ' 43' ' ' LYS . 46.4 t -101.66 120.34 51.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.24 178.005 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 38.9 t -73.33 93.96 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 169.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.3 p -71.09 -45.92 62.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.936 -170.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -178.09 160.3 1.39 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.77 0.319 . . . . 0.0 110.275 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.424 ' HD3' ' OH ' ' A' ' 60' ' ' TYR . 24.0 pttm -70.91 146.82 49.32 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 170.041 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.487 ' O ' ' HB2' ' A' ' 39' ' ' GLU . 26.8 ttm180 -158.11 155.1 28.58 Favored 'General case' 0 C--N 1.312 -1.06 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.105 -178.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.559 ' O ' ' HD3' ' A' ' 18' ' ' PRO . 29.4 tt0 -142.84 112.37 6.8 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 173.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 28.6 mtpp -95.82 95.4 1.83 Allowed Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 172.054 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.559 ' HD3' ' O ' ' A' ' 16' ' ' GLU . 10.0 Cg_exo -70.78 105.56 1.68 Allowed 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 122.93 2.42 . . . . 0.0 112.717 -169.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.443 HG12 ' H ' ' A' ' 21' ' ' ASP . 48.5 t -70.09 125.33 28.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 170.351 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -59.79 -29.87 68.51 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.828 0.347 . . . . 0.0 110.693 -177.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.443 ' H ' HG12 ' A' ' 19' ' ' VAL . 35.9 t70 -82.02 81.97 7.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.32 0.581 . . . . 0.0 110.775 177.428 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -131.29 84.26 2.17 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.444 173.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -96.83 121.34 38.58 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.123 0.487 . . . . 0.0 111.244 -176.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.0 t -88.17 101.81 14.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.491 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -85.29 130.76 34.53 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.661 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 60.44 19.34 9.03 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.625 0.578 . . . . 0.0 111.461 178.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 63.55 96.78 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 O-C-N 123.96 0.788 . . . . 0.0 112.135 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -75.13 125.14 28.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.619 174.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.5 t -55.77 -36.8 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.363 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.1 m 65.86 87.12 0.12 Allowed Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.431 176.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo -73.89 25.07 0.33 Allowed 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 123.432 2.755 . . . . 0.0 112.703 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -104.58 5.28 33.69 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.358 0.599 . . . . 0.0 109.867 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.74 -46.82 1.11 Allowed Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.801 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.439 HG23 ' H ' ' A' ' 36' ' ' MET . 14.8 t -168.86 -155.84 0.15 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.8 m -57.37 -29.67 64.25 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -177.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.439 ' H ' HG23 ' A' ' 34' ' ' THR . 62.4 mtm -77.06 141.71 40.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.792 0.33 . . . . 0.0 110.956 -178.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -105.61 141.13 37.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.985 177.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -106.94 104.15 13.76 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.91 0.386 . . . . 0.0 110.289 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.885 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 32.1 mt-10 -103.66 153.63 20.42 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.52 135.31 54.47 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.037 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.1 t -97.38 122.43 40.41 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.445 -177.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -103.0 124.45 48.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.22 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.76 ' HB3' ' HB ' ' A' ' 10' ' ' VAL . 28.0 tptp -95.02 115.6 65.55 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.039 -176.359 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -75.33 139.43 23.45 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.623 2.215 . . . . 0.0 111.46 174.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.1 mt -92.41 -12.83 31.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.083 0.468 . . . . 0.0 110.978 -177.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -93.87 25.11 3.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.275 -171.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.75 117.93 0.47 Allowed Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.172 -178.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.33 171.17 17.69 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.493 -0.86 . . . . 0.0 112.376 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.9 mt -85.0 160.12 20.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.729 0.299 . . . . 0.0 110.435 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -65.78 142.86 57.82 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.483 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -100.64 106.76 18.27 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.596 173.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.7 m -93.09 120.72 33.69 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.298 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -113.21 138.15 50.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.809 0.338 . . . . 0.0 111.054 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.885 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 51.4 ttp180 -74.04 127.06 31.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.695 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.4 mt -123.64 161.14 25.65 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.019 0.438 . . . . 0.0 111.056 -178.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -93.96 175.76 6.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.764 173.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.71 -52.8 64.15 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -173.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -66.7 -31.92 72.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.112 -177.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -67.24 -43.89 80.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.95 0.405 . . . . 0.0 109.995 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.424 ' OH ' ' HD3' ' A' ' 14' ' ' LYS . 79.8 t80 -62.91 -28.99 70.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.225 179.044 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 56.3 m170 -60.34 -29.59 68.99 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.727 0.299 . . . . 0.0 111.151 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.3 -29.0 23.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.959 0.409 . . . . 0.0 110.974 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -72.5 105.37 4.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.356 0.598 . . . . 0.0 111.085 -178.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.9 m -98.97 118.81 36.6 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.443 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.89 131.68 28.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.008 0.432 . . . . 0.0 111.179 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.76 -19.32 49.05 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.188 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -80.43 91.55 5.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.232 0.539 . . . . 0.0 109.943 -177.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -64.71 138.13 58.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.035 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.815 ' HA3' ' HA ' ' A' ' 83' ' ' SER . . . -161.43 -177.93 34.94 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.467 -178.297 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.9 m -90.57 140.14 30.03 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.01 0.433 . . . . 0.0 110.82 -174.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 66.0 tp -117.34 128.25 54.86 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.182 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.476 ' OG ' HD21 ' A' ' 4' ' ' LEU . 45.5 t -99.69 100.65 11.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.561 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -132.33 143.11 49.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.165 0.507 . . . . 0.0 110.649 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -136.72 110.62 8.2 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 176.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.24 -114.89 3.91 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.261 -0.971 . . . . 0.0 110.692 -172.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.5 t -126.02 -5.5 6.77 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.914 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 77' ' ' ARG . 22.0 ttt180 -86.21 131.29 34.27 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.203 0.525 . . . . 0.0 111.149 -178.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -68.84 112.82 5.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.873 175.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.0 t -87.13 -52.65 11.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.171 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -171.98 170.61 43.56 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.853 178.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' A' ' 83' ' ' SER . 79.4 t80 -137.07 120.61 17.14 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 45.7 t -124.39 93.59 2.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.619 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.815 ' HA ' ' HA3' ' A' ' 69' ' ' GLY . 8.7 t -80.98 -174.66 4.97 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.048 -178.646 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -74.32 -23.34 59.05 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.0 141.64 89.61 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.971 175.081 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -75.08 -177.21 3.32 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.708 2.272 . . . . 0.0 111.59 175.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.53 -48.95 76.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.892 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 60.04 28.92 18.52 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.722 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -63.51 -40.62 97.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.74 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.1 mt -74.36 -22.81 59.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.835 178.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 58.17 91.18 0.04 OUTLIER 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.611 -176.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -78.3 95.11 4.94 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 170.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -64.07 -33.84 76.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.042 -176.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -106.7 101.56 11.0 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.57 171.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -70.21 133.71 47.34 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 176.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -71.76 -39.55 69.93 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 167.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 . . . . . 0 C--O 1.243 0.755 0 CA-C-N 114.098 -1.41 . . . . 0.0 109.056 169.294 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.23 103.12 40.61 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 177.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -83.16 -17.48 6.66 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.619 2.213 . . . . 0.0 113.053 -177.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.567 HD21 ' HB3' ' A' ' 72' ' ' SER . 19.0 tp -108.71 121.82 45.84 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -178.04 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -86.58 122.42 30.48 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.515 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 94.9 mt-30 -128.25 126.64 41.3 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.279 -177.057 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -137.29 146.83 45.16 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.31 171.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 91.3 mt-30 -80.19 121.76 25.99 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 174.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.531 HG21 ' HB3' ' A' ' 42' ' ' PHE . 16.8 m -125.1 164.83 23.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.798 -177.235 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.573 HG22 ' HG2' ' A' ' 68' ' ' GLN . 26.3 t -101.86 123.76 55.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.496 177.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.2 t -76.07 85.15 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 170.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.2 m -77.09 -52.25 9.62 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -169.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -148.36 157.09 43.26 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.405 -171.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.562 ' HD3' ' OH ' ' A' ' 60' ' ' TYR . 54.6 pttt -93.29 148.71 21.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.53 176.014 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.48 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 5.9 mmm180 -134.21 167.63 20.34 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.713 0.292 . . . . 0.0 110.885 -175.441 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -146.72 105.12 3.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.164 177.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -113.5 96.9 41.82 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 169.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.36 145.08 70.36 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.668 2.245 . . . . 0.0 111.177 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.0 t -84.35 81.46 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 CA-C-O 120.905 0.383 . . . . 0.0 110.707 -177.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -82.37 91.84 6.89 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 173.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -104.29 -60.05 1.64 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.333 -168.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 -135.47 -76.64 0.44 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.155 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -173.18 95.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.602 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.9 m -80.68 128.78 34.02 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -75.32 120.94 21.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.258 0.552 . . . . 0.0 110.77 -175.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -97.74 105.85 18.07 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.948 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -65.38 149.85 49.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.409 -175.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.417 ' O ' ' HB ' ' A' ' 29' ' ' VAL . 49.5 tt0 -78.67 118.52 20.84 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.359 -178.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.421 ' O ' ' HD3' ' A' ' 31' ' ' PRO . 91.2 t 77.21 -44.6 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.621 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.407 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 30.0 t -72.58 108.14 3.97 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 120.857 0.36 . . . . 0.0 111.628 -177.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 29' ' ' VAL . 83.9 Cg_endo -104.04 30.72 0.07 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 124.2 3.267 . . . . 0.0 112.462 178.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.07 -5.03 55.15 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -174.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.27 15.55 54.16 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.516 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.1 m -91.25 97.05 10.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.052 0.453 . . . . 0.0 111.251 -178.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.1 t -119.29 99.1 6.49 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 80.0 mtp -78.99 109.36 13.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.248 0.547 . . . . 0.0 111.505 -178.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.1 mtt85 -95.95 107.52 19.8 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.622 175.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -72.98 176.27 5.89 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.529 -177.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.48 ' HB2' ' HB2' ' A' ' 15' ' ' ARG . 53.9 mt-10 -132.34 148.12 52.42 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 174.395 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.19 128.7 48.76 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.413 ' OG ' ' HG3' ' A' ' 15' ' ' ARG . 54.2 m -94.39 121.21 35.69 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.211 0.529 . . . . 0.0 110.347 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.531 ' HB3' HG21 ' A' ' 9' ' ' VAL . 88.9 m-85 -102.6 116.79 33.3 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.398 -0.819 . . . . 0.0 108.973 177.674 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.479 ' HA ' ' HG3' ' A' ' 50' ' ' GLU . 86.9 tttt -94.86 119.92 65.32 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.117 -171.603 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 26.7 Cg_exo -62.66 136.33 57.61 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 123.061 2.507 . . . . 0.0 111.485 176.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.7 mt -72.6 -25.42 61.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.675 -176.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -93.57 16.28 14.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.397 0.617 . . . . 0.0 110.522 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.39 158.56 7.14 Favored Glycine 0 C--N 1.317 -0.483 0 CA-C-N 115.266 -0.879 . . . . 0.0 112.632 -177.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.35 -147.29 17.51 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.478 177.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.7 tp -98.34 121.62 40.5 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 174.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.479 ' HG3' ' HA ' ' A' ' 43' ' ' LYS . 2.2 mp0 -59.43 128.5 37.35 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.446 179.664 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.47 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 57.1 mttp -82.32 102.92 11.53 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.902 -178.16 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.447 HG22 ' HB3' ' A' ' 39' ' ' GLU . 19.0 m -98.97 107.46 19.89 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.416 -178.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.47 ' CE2' ' HB3' ' A' ' 51' ' ' LYS . 92.5 m-85 -105.86 134.24 49.3 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.537 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.443 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 35.7 ttp180 -77.45 126.4 30.85 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.927 177.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.1 mt -123.87 162.99 22.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.17 -172.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -84.91 160.2 20.17 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 175.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.07 -47.29 65.24 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -177.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -63.85 -33.54 75.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.93 0.395 . . . . 0.0 111.441 -178.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -76.22 -37.88 57.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.429 -178.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.562 ' OH ' ' HD3' ' A' ' 14' ' ' LYS . 48.4 t80 -67.51 -22.87 65.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.355 176.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -85.73 -19.63 30.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.647 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.6 -52.46 8.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.89 -177.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.5 pp -90.26 142.37 27.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.984 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.3 m -111.71 143.21 42.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.956 0.407 . . . . 0.0 111.699 -171.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.5 t -62.34 132.74 28.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.575 175.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.15 -9.14 76.98 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.945 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -79.69 93.45 5.54 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.209 0.528 . . . . 0.0 110.526 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.573 ' HG2' HG22 ' A' ' 10' ' ' VAL . 81.1 mt-30 -67.24 117.58 9.45 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.434 173.446 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 8' ' ' GLN . . . -161.31 179.58 36.64 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.275 -0.964 . . . . 0.0 112.937 -175.623 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.2 m -79.91 136.13 36.59 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.08 0.467 . . . . 0.0 111.505 -172.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.515 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 60.4 tp -117.33 122.6 44.35 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.567 ' HB3' HD21 ' A' ' 4' ' ' LEU . 14.5 m -103.4 119.57 39.14 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.22 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.497 ' HA ' HG23 ' A' ' 79' ' ' VAL . 39.8 p90 -149.13 162.43 40.0 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.75 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -128.97 101.11 5.92 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.364 176.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.27 -114.03 5.76 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.536 -0.84 . . . . 0.0 111.461 -176.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.2 p -96.16 -7.58 35.44 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.898 0.38 . . . . 0.0 111.356 178.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 38.3 ttt85 -86.67 115.73 24.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.109 0.48 . . . . 0.0 111.883 -173.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -70.24 109.1 4.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.221 -0.899 . . . . 0.0 109.564 173.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.497 HG23 ' HA ' ' A' ' 73' ' ' TYR . 57.6 t -86.96 -45.64 16.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.815 0.341 . . . . 0.0 110.29 -178.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 168.49 148.18 5.64 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.64 177.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -95.54 132.43 40.67 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 48.2 t -116.45 106.28 19.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.4 t -66.46 146.77 54.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.98 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -66.73 -31.44 72.09 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.216 0.532 . . . . 0.0 109.602 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.9 m -98.5 123.15 51.24 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.152 172.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -57.06 151.54 49.71 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.595 2.197 . . . . 0.0 112.343 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -60.08 -20.88 60.33 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.33 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.604 ' O ' ' HB2' ' A' ' 89' ' ' GLU . 88.7 m-20 -126.99 147.46 50.12 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 174.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.604 ' HB2' ' O ' ' A' ' 88' ' ' ASN . 21.7 mt-10 77.97 53.52 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 O-C-N 124.14 0.9 . . . . 0.0 110.119 -170.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.99 91.77 0.89 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.152 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -59.3 -32.7 70.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.08 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -114.65 101.4 9.06 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 174.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -67.21 -36.11 81.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.22 0.533 . . . . 0.0 110.103 -174.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -101.47 114.45 28.48 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 167.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -63.57 -43.5 96.83 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -111.01 112.2 23.85 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.615 175.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 51.7 p-80 . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.14 -179.781 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.435 ' O ' ' HD3' ' A' ' 3' ' ' PRO . 68.4 mtt . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.69 110.98 14.6 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 123.235 0.334 . . . . 0.0 110.512 -178.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 1' ' ' MET . 94.0 Cg_endo -88.71 163.04 6.33 Favored 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 122.739 2.293 . . . . 0.0 112.143 -179.241 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.518 HD12 ' HB3' ' A' ' 72' ' ' SER . 1.7 pt? -102.79 146.4 28.31 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 174.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -97.52 128.56 44.37 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 120.774 0.321 . . . . 0.0 110.197 -177.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.476 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 93.4 mt-30 -116.53 109.26 17.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.189 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.7 tttm -134.52 165.04 26.12 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -87.7 116.74 26.04 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.413 HG21 HD22 ' A' ' 71' ' ' LEU . 35.0 m -124.69 164.74 22.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.984 0.421 . . . . 0.0 110.752 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.537 HG22 ' HG2' ' A' ' 68' ' ' GLN . 21.7 t -106.74 122.57 60.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.426 177.393 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.2 t -74.73 97.51 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 170.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.3 p -78.31 -55.43 5.25 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.459 0.541 . . . . 0.0 112.459 -168.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -157.81 169.07 25.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.128 0.489 . . . . 0.0 111.552 -176.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 39' ' ' GLU . 27.0 ttpp -87.3 147.06 25.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.414 174.131 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.781 ' HD3' HG21 ' A' ' 52' ' ' THR . 64.6 ttt180 -127.24 161.99 27.26 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.335 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -146.8 102.71 3.57 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.866 -175.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.504 ' HG3' ' OE1' ' A' ' 39' ' ' GLU . 60.4 mttp -89.68 129.0 48.38 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.373 176.361 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 3.0 Cg_exo -77.18 108.66 2.66 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 123.107 2.538 . . . . 0.0 111.02 171.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.5 t -74.33 117.55 18.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.96 0.41 . . . . 0.0 111.033 -177.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -126.16 142.59 51.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.736 177.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.447 ' OD2' ' HG3' ' A' ' 23' ' ' ARG . 7.9 t70 -95.31 -166.0 1.39 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.405 ' H ' ' CG ' ' A' ' 21' ' ' ASP . 19.7 mtm105 -114.21 12.69 17.8 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.131 0.491 . . . . 0.0 110.431 -176.003 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.447 ' HG3' ' OD2' ' A' ' 21' ' ' ASP . 62.2 mtt180 -92.15 155.44 18.03 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.382 -176.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.9 m -73.52 163.8 27.53 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.653 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 25' ' ' ARG . 61.4 mtt180 -64.15 -19.22 65.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.445 -179.173 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -68.41 -26.0 65.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.116 0.484 . . . . 0.0 110.509 176.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -101.38 109.56 21.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.284 -178.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.73 141.82 29.44 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -179.1 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.7 p -82.19 -35.59 13.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.766 -0.197 . . . . 0.0 110.899 -175.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.2 m 57.63 81.29 0.26 Allowed Pre-proline 0 C--O 1.235 0.331 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.807 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -70.12 129.31 17.0 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 123.006 2.471 . . . . 0.0 111.846 178.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -136.6 83.49 2.01 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.302 0.573 . . . . 0.0 110.071 -178.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.41 67.06 0.8 Allowed Glycine 0 N--CA 1.444 -0.793 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.286 -176.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.6 m -109.74 102.83 11.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.091 0.472 . . . . 0.0 110.778 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.0 m -73.29 135.08 44.38 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.345 176.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 91.8 mmm -62.81 121.14 12.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.079 0.466 . . . . 0.0 110.696 -178.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -94.12 118.42 31.51 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.708 -175.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -110.78 130.05 55.68 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 175.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.59 ' HG2' ' HG2' ' A' ' 54' ' ' ARG . 42.7 mt-10 -103.33 147.47 27.04 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.091 -177.345 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.56 132.06 56.21 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.3 t -94.75 121.7 36.6 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -102.65 111.71 24.15 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.933 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.457 ' HA ' ' HG2' ' A' ' 50' ' ' GLU . 40.3 tttp -95.18 115.34 65.33 Favored Pre-proline 0 C--N 1.317 -0.835 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.07 -176.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -70.64 141.34 41.41 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.471 2.114 . . . . 0.0 111.745 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.6 mt -72.22 -14.56 61.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.34 0.591 . . . . 0.0 109.805 175.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -93.65 106.88 18.82 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 169.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -38.17 123.4 1.29 Allowed Glycine 0 CA--C 1.518 0.277 0 O-C-N 124.359 1.037 . . . . 0.0 114.275 -175.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.51 -157.79 21.12 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 39.3 mt -88.24 134.34 33.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.159 0.504 . . . . 0.0 111.251 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.457 ' HG2' ' HA ' ' A' ' 43' ' ' LYS . 49.7 mt-10 -69.24 130.42 42.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.735 174.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -97.1 111.74 23.83 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.167 0.508 . . . . 0.0 110.497 -175.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.781 HG21 ' HD3' ' A' ' 15' ' ' ARG . 19.4 m -90.43 120.9 31.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.061 -177.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -113.63 145.37 41.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.252 176.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.59 ' HG2' ' HG2' ' A' ' 39' ' ' GLU . 46.6 mtm105 -87.22 125.09 33.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.129 0.49 . . . . 0.0 111.338 -178.492 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.6 mt -119.25 161.92 19.58 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.535 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -101.58 179.11 4.44 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 173.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.07 -58.89 5.21 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -176.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -62.64 -29.65 70.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.507 -177.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -77.33 -44.76 28.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.895 -177.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -66.42 -29.32 69.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.173 0.511 . . . . 0.0 110.001 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -66.87 -18.98 65.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.624 176.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -101.39 4.57 41.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.015 0.436 . . . . 0.0 110.773 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -108.8 104.11 13.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.11 0.481 . . . . 0.0 110.487 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 23.5 m -81.03 106.63 13.19 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.94 -178.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 46.4 t -64.21 126.74 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.538 176.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.72 -17.33 57.62 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.811 -176.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -77.92 95.27 4.73 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.325 0.583 . . . . 0.0 110.124 -178.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.537 ' HG2' HG22 ' A' ' 10' ' ' VAL . 53.2 mt-30 -66.51 114.32 5.39 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.198 173.515 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.22 -170.83 26.4 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 119.957 -1.116 . . . . 0.0 113.038 -171.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.7 m -82.35 129.44 34.87 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.033 0.444 . . . . 0.0 111.464 -170.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.476 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 68.5 tp -117.41 126.25 52.34 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.887 177.224 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.518 ' HB3' HD12 ' A' ' 4' ' ' LEU . 18.3 m -108.74 122.21 46.67 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.71 177.565 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.9 p90 -148.0 142.11 26.04 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.999 0.428 . . . . 0.0 110.63 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.426 ' HE3' ' HB2' ' A' ' 74' ' ' LYS . 36.6 ttmt -116.23 105.29 12.4 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 -179.16 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.25 -114.33 4.67 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.37 -0.919 . . . . 0.0 110.967 -174.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.5 p -114.28 13.22 17.83 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.071 0.462 . . . . 0.0 110.544 176.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -102.6 126.45 49.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.181 0.515 . . . . 0.0 111.261 -178.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -70.0 117.58 11.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.4 177.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 99.6 t -91.99 -50.6 12.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.238 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 176.01 150.09 7.88 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.169 178.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -117.5 124.21 48.19 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 178.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 44.3 t -100.23 97.19 5.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.095 -178.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.8 m -70.81 150.17 46.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.321 177.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -59.8 101.48 0.12 Allowed 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.534 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 28.6 m -73.1 112.47 15.68 Favored Pre-proline 0 N--CA 1.44 -0.94 0 CA-C-O 121.265 0.555 . . . . 0.0 110.266 -178.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -87.97 86.43 0.63 Allowed 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 122.613 2.209 . . . . 0.0 112.259 -177.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -65.2 128.21 34.89 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 175.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.44 -22.97 64.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.456 -169.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -97.5 -1.05 44.93 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -175.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 38.5 mt -126.58 115.4 19.45 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.405 0.622 . . . . 0.0 111.586 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -84.01 122.59 28.99 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.878 178.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -86.71 91.6 8.67 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.866 0.365 . . . . 0.0 110.506 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -88.66 145.83 25.43 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.407 ' HB2' ' H ' ' A' ' 97' ' ' HIS . 60.6 m-70 -117.42 172.96 6.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.312 0.577 . . . . 0.0 111.03 -177.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -91.46 18.26 7.51 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.771 0.796 . . . . 0.0 109.195 172.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -128.58 -38.6 1.71 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.52 -1.218 . . . . 0.0 108.658 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.407 ' H ' ' HB2' ' A' ' 94' ' ' HIS . 81.1 t60 . . . . . 0 C--O 1.252 1.198 0 CA-C-O 118.324 -0.846 . . . . 0.0 109.197 170.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 110.508 -0.182 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 60.53 86.78 0.15 Allowed Pre-proline 0 N--CA 1.463 0.18 0 O-C-N 123.63 0.581 . . . . 0.0 111.608 -178.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -70.02 -22.23 31.18 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.657 2.238 . . . . 0.0 112.618 176.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.435 HD21 ' OG ' ' A' ' 72' ' ' SER . 13.3 tp -70.79 114.29 8.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.042 179.231 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -98.86 112.3 24.44 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 178.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.61 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 90.6 mt-30 -102.71 112.2 24.87 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.336 0.589 . . . . 0.0 110.737 -178.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.672 ' HB3' ' HE2' ' A' ' 73' ' ' TYR . 15.8 tppt? -115.01 127.84 55.91 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.335 179.463 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -76.63 124.88 28.3 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.47 0.653 . . . . 0.0 109.923 176.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.57 HG21 ' HB3' ' A' ' 42' ' ' PHE . 16.1 m -132.13 165.16 32.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.158 -173.078 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.509 HG22 ' HG2' ' A' ' 68' ' ' GLN . 16.9 t -101.72 126.05 55.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.789 175.157 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.3 t -73.62 92.25 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.147 -1.056 . . . . 0.0 108.147 169.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.7 p -68.89 -46.88 67.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.938 -169.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -168.21 149.3 5.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.398 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.442 ' HD3' ' CZ ' ' A' ' 60' ' ' TYR . 60.7 pttt -90.83 120.73 32.1 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 173.464 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.4 mtt-85 -110.28 144.17 39.39 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.68 -173.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.456 ' O ' ' HD3' ' A' ' 18' ' ' PRO . 32.2 tt0 -96.03 94.43 7.57 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 172.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -100.65 107.58 49.48 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-O 121.004 0.43 . . . . 0.0 111.736 -178.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.456 ' HD3' ' O ' ' A' ' 16' ' ' GLU . 47.6 Cg_endo -89.42 105.45 0.39 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 122.686 2.257 . . . . 0.0 110.694 172.65 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.502 HG21 HH22 ' A' ' 54' ' ' ARG . 34.0 t -73.2 -73.74 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.272 -175.252 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 52.27 69.91 0.62 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.659 0.742 . . . . 0.0 110.425 -176.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -66.55 166.96 11.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.181 -177.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.6 ttt-85 -62.11 -22.09 65.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.227 0.536 . . . . 0.0 110.452 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.3 ttm-85 -67.72 -33.46 74.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.385 177.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.5 p -97.45 125.0 41.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.793 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.7 mtm-85 -124.04 179.93 4.66 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.878 -178.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -75.55 4.92 6.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.827 0.346 . . . . 0.0 111.259 -178.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -78.83 -15.85 57.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.327 0.584 . . . . 0.0 109.604 172.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -88.78 135.15 33.67 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.438 173.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.559 ' O ' ' HD3' ' A' ' 31' ' ' PRO . 44.4 t -86.36 -29.65 6.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.121 0.486 . . . . 0.0 110.375 -179.282 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.8 t -114.69 80.13 6.18 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.274 177.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.559 ' HD3' ' O ' ' A' ' 29' ' ' VAL . 3.9 Cg_exo -82.85 -24.68 3.24 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 123.106 2.538 . . . . 0.0 110.815 176.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -166.6 92.98 0.47 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.88 -1.055 . . . . 0.0 109.987 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.42 -51.86 56.19 Favored Glycine 0 C--N 1.331 0.254 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 174.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.9 m -84.04 97.57 9.37 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 170.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.0 t -63.76 -36.75 84.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.186 0.517 . . . . 0.0 110.294 -176.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 86.3 mtp -94.61 79.51 3.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.645 175.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -72.24 112.69 8.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.261 178.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.452 ' HB2' ' O ' ' A' ' 55' ' ' LEU . 25.0 m-85 -82.64 118.74 23.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.414 -177.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.476 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 21.4 mt-10 -122.3 144.81 48.77 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.209 172.464 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.48 132.96 56.22 Favored 'General case' 0 C--N 1.316 -0.887 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.391 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.635 ' HB3' ' HB3' ' A' ' 50' ' ' GLU . 48.8 m -94.57 124.22 38.47 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.126 178.109 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.57 ' HB3' HG21 ' A' ' 9' ' ' VAL . 92.0 m-85 -102.85 112.39 25.18 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.83 178.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 87.7 tttt -99.51 117.55 63.61 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.372 -175.546 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.536 ' HA ' HG12 ' A' ' 9' ' ' VAL . 26.5 Cg_exo -62.35 136.22 58.29 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.847 2.364 . . . . 0.0 112.555 -177.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.31 -33.86 76.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.872 -178.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -93.68 18.87 9.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.099 0.476 . . . . 0.0 111.2 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.68 148.29 21.81 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.639 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.401 ' HA3' ' HG2' ' A' ' 44' ' ' PRO . . . 150.08 167.12 14.0 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.982 -0.627 . . . . 0.0 112.079 179.208 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.5 tp -67.12 140.33 57.55 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.599 0.238 . . . . 0.0 110.614 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.635 ' HB3' ' HB3' ' A' ' 41' ' ' SER . 45.0 mt-10 -68.51 113.56 6.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.123 0.487 . . . . 0.0 110.229 176.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 44.8 mttp -83.81 110.75 18.6 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.42 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.476 ' CG2' ' HB3' ' A' ' 39' ' ' GLU . 36.7 m -97.82 119.31 36.19 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.245 -178.478 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -123.85 159.83 28.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.993 -178.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.502 HH22 HG21 ' A' ' 19' ' ' VAL . 7.8 mmt85 -77.09 126.99 31.87 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.346 -178.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.452 ' O ' ' HB2' ' A' ' 38' ' ' TYR . 40.5 mt -134.82 132.64 38.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.03 0.443 . . . . 0.0 110.971 178.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -86.13 166.44 15.78 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.084 175.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.09 -39.5 82.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.915 0.388 . . . . 0.0 111.109 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -63.34 -35.55 80.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.743 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -77.15 -47.94 19.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.694 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.472 ' HA ' HD21 ' A' ' 63' ' ' LEU . 79.5 t80 -61.75 -23.98 66.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.201 -178.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -55.8 -21.46 19.53 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.41 177.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.55 -6.67 49.15 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -174.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.472 HD21 ' HA ' ' A' ' 60' ' ' TYR . 1.2 pt? -137.71 156.37 48.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.173 0.511 . . . . 0.0 111.515 -178.129 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.416 ' HB ' ' HB2' ' A' ' 67' ' ' ASP . 13.7 m -123.25 146.41 47.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.591 -178.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.3 t -63.81 123.59 16.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.881 0.372 . . . . 0.0 110.215 174.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.4 -18.26 56.63 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.824 -176.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.416 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 28.2 t70 -77.1 94.42 4.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.169 0.509 . . . . 0.0 110.218 -177.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.509 ' HG2' HG22 ' A' ' 10' ' ' VAL . 77.1 mt-30 -64.64 131.8 47.96 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.296 176.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.33 -175.26 32.16 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.009 -177.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.564 ' HB ' ' HB ' ' A' ' 82' ' ' VAL . 18.2 m -90.27 141.84 28.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.637 0.256 . . . . 0.0 110.71 -173.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.61 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 58.8 tp -117.37 120.68 38.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.984 0.421 . . . . 0.0 110.92 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.435 ' OG ' HD21 ' A' ' 4' ' ' LEU . 47.5 t -92.11 109.29 20.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.534 177.655 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.672 ' HE2' ' HB3' ' A' ' 7' ' ' LYS . 41.8 p90 -143.55 166.24 25.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.17 0.51 . . . . 0.0 111.165 -179.111 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -131.89 88.85 2.61 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 172.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.56 -114.26 3.83 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 -172.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.3 p -105.42 3.08 29.24 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.178 0.513 . . . . 0.0 110.434 174.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.0 mtm180 -77.8 109.72 12.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.782 177.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -76.43 104.63 7.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.394 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.5 t -83.21 -44.22 18.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.106 178.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 169.08 152.96 8.07 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.4 176.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -94.16 133.85 37.23 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 176.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.564 ' HB ' ' HB ' ' A' ' 70' ' ' THR . 25.4 t -105.75 93.54 2.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.109 0.481 . . . . 0.0 110.531 -176.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.3 m -75.58 152.32 37.73 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.496 175.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -68.48 -22.75 64.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.636 0.255 . . . . 0.0 111.155 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.2 t -150.44 103.66 3.1 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 121.465 0.65 . . . . 0.0 110.217 173.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -93.69 -178.64 0.73 Allowed 'Trans proline' 0 N--CA 1.454 -0.815 0 C-N-CA 123.124 2.55 . . . . 0.0 113.451 -178.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -75.93 -14.66 60.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.707 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -54.71 -42.98 72.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.943 -176.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -96.37 7.09 47.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.783 -173.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 86.2 mt -120.42 125.12 47.14 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.86 0.362 . . . . 0.0 110.363 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -83.43 136.79 34.18 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 177.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -63.58 -50.9 67.65 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.649 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 32.4 t-80 47.31 -94.07 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.718 0 O-C-N 124.248 0.967 . . . . 0.0 112.223 170.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -157.68 137.85 12.6 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -103.13 113.78 27.53 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.086 0.469 . . . . 0.0 110.43 178.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -69.32 129.01 38.6 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.952 -177.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 45.5 m80 . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.418 -0.801 . . . . 0.0 108.909 173.903 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.4 mmm . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 120.847 0.355 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.37 149.52 6.46 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.752 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -62.77 -21.45 73.04 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.557 2.172 . . . . 0.0 111.507 176.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.43 HD11 HG21 ' A' ' 79' ' ' VAL . 16.3 tp -87.59 103.98 16.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.16 175.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -80.9 120.55 24.87 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -177.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.56 ' HG2' ' HA ' ' A' ' 72' ' ' SER . 93.2 mt-30 -136.86 144.49 43.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.756 -175.599 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.506 ' HG2' ' N ' ' A' ' 8' ' ' GLN . 51.7 tttm -168.76 164.99 12.02 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 168.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.506 ' N ' ' HG2' ' A' ' 7' ' ' LYS . 59.0 tt0 -76.0 119.45 19.97 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 175.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.1 m -120.83 178.6 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.085 -177.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.7 t -113.03 120.09 62.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.021 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.5 t -76.08 96.59 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 168.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.5 p -85.61 -39.81 16.92 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -164.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -162.95 172.21 15.4 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.915 -174.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.2 pttt -124.81 141.39 52.15 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.411 ' HD3' HH11 ' A' ' 15' ' ' ARG . 51.7 mtt180 -143.21 -177.69 5.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.78 0.324 . . . . 0.0 111.315 -177.356 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -143.96 120.18 10.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.977 178.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 86.7 mttt -113.09 140.5 24.29 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 175.534 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 12.8 Cg_exo -69.99 110.11 2.52 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.835 2.357 . . . . 0.0 111.905 178.336 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.3 t -74.64 120.15 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.611 -179.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -85.01 -54.76 4.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.641 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -68.78 94.35 0.6 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.122 0.487 . . . . 0.0 110.316 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 66.2 mtm-85 -119.06 167.35 11.86 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.732 -177.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -89.81 10.56 23.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.391 178.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' A' ' 25' ' ' ARG . 8.1 t -129.7 36.77 4.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.376 -179.237 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HB2' ' O ' ' A' ' 24' ' ' SER . 55.6 mtm180 71.92 163.02 0.26 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.557 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -100.87 -42.51 6.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.656 -177.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -77.37 92.95 3.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.261 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -143.21 153.98 43.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.529 176.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.495 ' O ' ' HD3' ' A' ' 31' ' ' PRO . 95.8 t -62.42 -38.21 80.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.876 0.369 . . . . 0.0 110.588 178.328 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.0 p -89.66 104.92 9.26 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.213 177.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.495 ' HD3' ' O ' ' A' ' 29' ' ' VAL . 60.8 Cg_endo -91.18 2.24 4.6 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 122.909 2.406 . . . . 0.0 112.721 -175.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.444 ' HB1' HH22 ' A' ' 37' ' ' ARG . . . -122.29 -75.57 0.59 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.161 -178.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.62 -174.31 29.22 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.6 -0.81 . . . . 0.0 111.965 -178.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.5 m -57.81 137.6 56.44 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 120.808 0.337 . . . . 0.0 111.479 -177.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.6 m -85.05 61.58 6.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.208 0.528 . . . . 0.0 111.024 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 96.8 mmm -103.91 -1.05 28.26 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.543 0.687 . . . . 0.0 109.226 173.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.701 ' HD2' ' O ' ' A' ' 37' ' ' ARG . 1.2 ppt_? -113.3 92.5 4.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.88 -1.054 . . . . 0.0 110.223 -178.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -95.83 168.36 10.69 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.616 -177.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.644 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 27.7 mt-10 -133.6 149.94 51.61 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.912 0.387 . . . . 0.0 110.191 173.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.65 140.0 50.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.338 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.6 t -94.57 119.25 32.95 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.501 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.407 ' CD1' ' HD2' ' A' ' 53' ' ' PHE . 94.8 m-85 -102.98 114.35 28.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.733 177.661 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 50.6 tttm -95.29 115.28 65.3 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.894 -177.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 6.4 Cg_exo -73.65 143.11 33.44 Favored 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 122.589 2.193 . . . . 0.0 111.492 178.473 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.5 mt -74.04 -14.94 61.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.444 0.64 . . . . 0.0 109.496 174.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -82.96 105.85 14.3 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 169.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -42.92 106.84 0.09 OUTLIER Glycine 0 C--N 1.333 0.414 0 O-C-N 124.276 0.985 . . . . 0.0 114.259 -173.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.71 -161.87 18.26 Favored Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.3 tp -85.89 143.14 28.39 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.753 0.311 . . . . 0.0 110.642 -178.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -72.71 140.25 47.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.444 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -102.2 126.44 49.17 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.814 0.34 . . . . 0.0 110.241 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.584 HG22 ' HB3' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -98.29 111.17 23.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.003 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.407 ' HD2' ' CD1' ' A' ' 42' ' ' PHE . 77.6 m-85 -104.98 137.35 42.86 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.832 0.349 . . . . 0.0 110.623 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.644 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 18.3 ttp180 -74.11 127.82 33.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.777 -178.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.8 mt -131.06 139.63 49.93 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.394 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -74.9 166.04 24.29 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 177.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.45 -39.37 67.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.005 0.431 . . . . 0.0 110.902 177.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -66.38 -32.95 74.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.876 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -74.58 -41.19 60.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.89 0.376 . . . . 0.0 110.651 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -67.8 -21.58 65.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.505 0.669 . . . . 0.0 110.232 176.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -78.17 -6.31 54.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.514 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -99.9 -62.71 1.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.809 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 pp -88.17 151.45 22.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.765 0.317 . . . . 0.0 110.439 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.3 m -123.1 149.36 44.58 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.839 -175.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 74.5 t -64.13 130.19 28.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.001 0.429 . . . . 0.0 110.452 177.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.51 -5.41 58.65 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.898 -176.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -73.44 97.23 2.51 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -74.21 109.95 8.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.66 172.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 8' ' ' GLN . . . -161.38 176.65 37.9 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.796 -177.47 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.45 142.9 44.89 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.007 0.432 . . . . 0.0 111.764 -174.438 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.523 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 46.6 tp -117.4 121.03 39.96 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.848 178.341 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.56 ' HA ' ' HG2' ' A' ' 6' ' ' GLN . 22.6 t -101.63 116.78 33.51 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.638 -178.197 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.674 ' HA ' HG23 ' A' ' 79' ' ' VAL . 37.9 p90 -154.74 139.72 17.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.246 0.546 . . . . 0.0 111.908 178.265 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -104.69 112.86 26.12 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 167.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.46 -116.79 9.48 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.38 -0.914 . . . . 0.0 111.83 -177.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.9 m -118.29 11.4 13.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.378 0.608 . . . . 0.0 110.324 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -67.24 -33.95 76.43 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.005 -175.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 75.4 t80 63.6 100.97 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.466 0.651 . . . . 0.0 110.623 -175.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.674 HG23 ' HA ' ' A' ' 73' ' ' TYR . 42.9 t -86.23 -31.92 6.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.348 0.594 . . . . 0.0 109.878 -179.053 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 147.12 154.18 6.13 Favored Glycine 0 N--CA 1.442 -0.939 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.331 175.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -87.32 128.8 35.18 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 175.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 45.7 t -111.95 106.48 20.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.871 0.367 . . . . 0.0 110.959 -175.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 p -77.3 62.38 2.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.463 0.649 . . . . 0.0 109.579 173.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 33.3 ttt85 -58.13 107.12 0.44 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.343 -175.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 18.4 m -114.96 104.8 53.81 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.3 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.4 164.19 35.76 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.5 2.133 . . . . 0.0 111.734 177.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.03 134.79 25.95 Favored 'General case' 0 C--O 1.237 0.42 0 O-C-N 123.408 0.443 . . . . 0.0 110.984 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -86.76 66.53 9.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.409 0.623 . . . . 0.0 111.553 -173.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -162.77 25.44 0.1 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.413 1.101 . . . . 0.0 108.05 169.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.539 ' HG ' ' H ' ' A' ' 92' ' ' HIS . 51.6 tp -127.26 134.9 50.0 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.072 -1.422 . . . . 0.0 108.657 -177.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.465 ' OE1' ' HA ' ' A' ' 91' ' ' GLU . 4.8 mm-40 -65.97 -20.07 66.07 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.473 -177.491 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.539 ' H ' ' HG ' ' A' ' 90' ' ' LEU . 22.7 m170 -68.44 -18.72 64.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.712 174.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -75.94 -26.79 57.2 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 175.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -94.49 11.77 29.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.647 -176.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -119.02 171.99 7.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.578 -178.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -134.52 160.4 38.15 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 . . . . . 0 C--O 1.251 1.147 0 CA-C-O 119.297 -0.383 . . . . 0.0 110.968 -177.286 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.2 mtm . . . . . 0 N--CA 1.479 0.987 0 CA-C-O 121.009 0.433 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.42 147.67 44.96 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.602 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.75 -28.66 87.82 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.584 2.189 . . . . 0.0 111.621 175.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.522 HD21 ' HB3' ' A' ' 72' ' ' SER . 48.8 tp -83.29 117.28 22.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.29 174.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -95.25 112.44 24.15 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.034 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.631 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 98.9 mt-30 -104.24 134.13 48.0 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.106 178.679 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -142.89 145.86 33.51 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.82 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 61.5 tt0 -78.91 121.17 24.53 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.977 0.418 . . . . 0.0 110.063 177.539 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.6 m -132.83 174.43 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.652 -177.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.54 HG22 ' HG2' ' A' ' 68' ' ' GLN . 35.0 t -115.51 125.56 72.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.804 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 38.0 t -78.28 100.83 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 172.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.7 m -74.85 -52.5 11.19 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -170.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -161.19 163.69 31.0 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.791 -174.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -105.56 143.69 33.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.502 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -148.67 -174.28 4.57 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.643 177.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -145.35 114.2 6.88 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.354 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.55 ' HB2' ' HZ2' ' A' ' 17' ' ' LYS . 9.6 mtmp? -131.97 105.8 13.86 Favored Pre-proline 0 C--N 1.32 -0.699 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 169.552 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 17' ' ' LYS . 16.0 Cg_endo -58.7 105.24 0.22 Allowed 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.194 1.93 . . . . 0.0 111.806 -179.229 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.5 t -81.77 72.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.455 0.645 . . . . 0.0 110.255 -179.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -169.32 83.7 0.13 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.02 177.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -117.28 -26.42 6.74 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.073 -175.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 -76.12 -36.11 58.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.414 -173.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.5 mtp-105 -138.95 118.12 12.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.919 0.39 . . . . 0.0 111.825 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.3 m -69.33 105.32 2.52 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 171.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.4 mtt-85 -70.72 -22.81 62.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.276 -174.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -97.22 -179.7 4.61 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.158 178.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -83.18 -39.72 20.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.779 0.323 . . . . 0.0 111.005 -174.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -85.61 148.93 25.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.927 0.394 . . . . 0.0 111.046 -178.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.8 t -64.65 -39.58 86.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.17 -175.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.0 m 65.2 73.49 0.42 Allowed Pre-proline 0 C--N 1.328 -0.344 0 O-C-N 123.802 0.689 . . . . 0.0 110.738 -178.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -64.19 -16.62 56.03 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.411 2.741 . . . . 0.0 113.404 -175.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.83 -35.13 77.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.942 178.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 61.32 40.02 98.03 Favored Glycine 0 C--N 1.331 0.303 0 CA-C-N 116.078 -0.51 . . . . 0.0 113.057 177.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.6 t -129.86 147.67 51.65 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.013 0.435 . . . . 0.0 110.53 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.6 m -148.78 118.88 7.2 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 177.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 90.4 mtp -76.46 41.62 0.26 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -169.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -98.53 97.63 8.91 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 169.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.406 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 23.7 m-85 -66.19 139.02 58.09 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.013 -172.082 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.697 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 51.0 mt-10 -108.09 152.22 24.82 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.902 175.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -126.64 144.14 51.0 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.739 176.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.9 p -94.28 125.41 38.9 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 178.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.417 ' CD1' ' HD2' ' A' ' 53' ' ' PHE . 97.3 m-85 -102.42 117.79 35.49 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.096 -178.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -95.18 114.75 64.46 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.641 -177.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -74.19 128.35 12.08 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.424 2.083 . . . . 0.0 111.826 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.4 mt -63.07 -51.12 67.91 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -92.25 97.66 11.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.844 176.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 129.33 -153.44 19.88 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.516 -0.85 . . . . 0.0 112.605 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -152.21 178.07 29.64 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 121.182 -0.532 . . . . 0.0 111.796 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.0 mt 67.65 126.17 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.507 0.67 . . . . 0.0 111.416 -177.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -93.36 122.49 35.83 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.812 -177.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -88.32 120.64 29.88 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.899 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.44 HG22 ' HB3' ' A' ' 39' ' ' GLU . 5.7 m -93.55 120.34 33.7 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.084 -179.145 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.417 ' HD2' ' CD1' ' A' ' 42' ' ' PHE . 71.2 m-85 -116.71 149.94 39.03 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.813 0.339 . . . . 0.0 111.233 -177.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.697 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 38.7 ptt180 -74.05 138.97 44.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.64 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 38' ' ' TYR . 81.3 mt -129.12 146.1 51.14 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.091 0.472 . . . . 0.0 110.437 177.184 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -92.0 165.23 13.3 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 173.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.04 -34.81 44.87 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.639 0.256 . . . . 0.0 111.642 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -61.63 -54.79 38.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.946 0.403 . . . . 0.0 110.449 177.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.49 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 86.9 mt-30 -63.59 -40.04 95.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.823 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -58.05 -35.09 70.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.482 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -87.61 -19.96 27.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.938 0.399 . . . . 0.0 110.429 178.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.49 -41.15 24.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.543 -177.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 59' ' ' GLN . 3.3 pp -107.49 152.27 24.44 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.912 0.387 . . . . 0.0 110.282 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.1 m -117.5 149.99 39.69 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.774 -175.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.6 t -67.48 118.74 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 171.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.62 -4.04 46.57 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.588 -173.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -75.36 93.68 2.95 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.54 ' HG2' HG22 ' A' ' 10' ' ' VAL . 88.8 mt-30 -74.54 111.17 9.46 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.799 174.447 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 8' ' ' GLN . . . -161.36 -170.79 26.5 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.384 -0.912 . . . . 0.0 112.645 -175.314 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 p -87.58 140.67 29.29 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.182 0.515 . . . . 0.0 112.004 -173.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.631 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 61.0 tp -117.43 128.27 54.84 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.124 179.267 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.522 ' HB3' HD21 ' A' ' 4' ' ' LEU . 19.7 m -100.99 112.03 24.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.142 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -141.59 155.02 45.78 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.948 0.404 . . . . 0.0 110.863 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -123.58 87.5 2.75 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.398 175.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.96 -114.23 4.13 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -173.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 24.0 p -100.07 4.67 44.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.087 0.47 . . . . 0.0 110.835 175.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 69.9 mtt85 -87.61 108.91 19.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.577 -177.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.457 ' CE1' HD11 ' A' ' 71' ' ' LEU . 84.3 t80 -75.94 107.46 8.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.927 177.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 68.0 t -84.29 -46.65 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.157 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.89 152.97 7.14 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.556 177.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -94.72 129.79 41.49 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.5 t -114.45 108.56 25.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.819 0.342 . . . . 0.0 110.635 -176.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.5 m -69.82 147.2 50.69 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 176.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.4 103.3 9.64 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.898 0.38 . . . . 0.0 110.678 -176.322 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.409 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 11.0 m -61.36 131.46 92.37 Favored Pre-proline 0 C--O 1.234 0.279 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.85 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 85' ' ' THR . 8.2 Cg_endo -50.57 128.37 23.46 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.224 2.616 . . . . 0.0 112.441 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -68.38 160.13 30.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.425 -177.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -124.45 135.1 52.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.671 -177.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -71.35 -40.45 70.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.406 0.622 . . . . 0.0 109.467 174.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 38.6 tp -96.59 106.77 19.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.966 178.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -61.08 -65.39 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.082 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -90.48 104.01 16.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.284 -0.417 . . . . 0.0 109.921 175.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -69.18 140.67 54.64 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.262 0.553 . . . . 0.0 111.687 -175.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -128.33 127.02 41.92 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 174.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.43 ' O ' ' HB2' ' A' ' 96' ' ' HIS . 7.8 t-160 -72.84 79.68 1.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.154 0.502 . . . . 0.0 109.93 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.43 ' HB2' ' O ' ' A' ' 95' ' ' HIS . 52.7 t-80 167.0 -26.21 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.758 -1.11 . . . . 0.0 108.97 -172.096 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 34.3 m170 . . . . . 0 C--O 1.248 1.015 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.148 -174.947 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.4 ttm . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 120.659 0.266 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.61 106.83 29.52 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.773 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.25 -41.98 14.74 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.628 2.219 . . . . 0.0 111.307 176.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.532 HD21 ' HB3' ' A' ' 72' ' ' SER . 44.7 tp -96.32 107.02 19.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.197 176.58 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -80.76 112.9 18.56 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.398 0.618 . . . . 0.0 110.105 -179.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.474 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 93.5 mt-30 -106.88 114.2 28.15 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.453 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.6 tttm -133.21 140.93 47.81 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 176.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -79.93 131.64 35.88 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.054 0.454 . . . . 0.0 110.702 -178.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.4 m -127.77 175.46 9.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.907 -177.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.449 ' HB ' ' HB3' ' A' ' 43' ' ' LYS . 47.9 t -104.69 125.91 59.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.963 176.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.7 t -77.82 96.67 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 172.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.43 ' OG ' ' HB2' ' A' ' 43' ' ' LYS . 15.7 m -57.97 -61.09 2.79 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.277 -174.019 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -173.43 155.3 2.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.324 -178.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HD2' ' CE1' ' A' ' 60' ' ' TYR . 1.1 ptmt -83.38 121.68 27.47 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.019 171.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -121.12 139.78 52.87 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.221 0.534 . . . . 0.0 111.214 -175.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.4 mp0 -89.5 94.73 9.98 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 174.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.534 ' HG2' ' HD2' ' A' ' 18' ' ' PRO . 15.2 ttpt -91.3 138.2 25.76 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.814 -177.44 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.534 ' HD2' ' HG2' ' A' ' 17' ' ' LYS . 74.9 Cg_exo -41.52 119.11 0.94 Allowed 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.271 2.647 . . . . 0.0 113.566 177.178 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 44.2 t -91.8 139.88 17.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.008 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -68.41 -25.21 64.93 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -171.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -85.4 -4.79 59.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.972 0.415 . . . . 0.0 111.16 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.421 ' O ' ' HB3' ' A' ' 23' ' ' ARG . 8.2 mpt_? -99.8 71.27 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 172.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.421 ' HB3' ' O ' ' A' ' 22' ' ' ARG . 26.8 ttm180 67.97 107.9 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 O-C-N 124.008 0.818 . . . . 0.0 110.13 -171.484 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.0 m -83.86 -6.22 59.38 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.567 -173.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.3 ttt180 -118.39 125.03 49.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.958 0.408 . . . . 0.0 110.58 -177.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -81.13 126.09 31.04 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.392 -175.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -98.53 -176.97 3.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.207 176.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.28 132.43 35.23 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 172.124 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.1 t 59.92 68.55 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 -167.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 p -102.15 118.83 58.25 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.223 -172.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -90.6 -157.14 0.06 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.971 0 C-N-CA 123.191 2.594 . . . . 0.0 110.83 171.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -143.17 -76.34 0.25 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.803 0.335 . . . . 0.0 110.528 177.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 145.41 -178.95 22.83 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.7 m -67.42 105.91 1.95 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.175 0.512 . . . . 0.0 110.502 179.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.4 m -85.96 115.21 23.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.876 -177.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 92.3 mmm -79.38 -19.62 49.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.264 0.554 . . . . 0.0 110.165 176.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.4 mtm-85 -111.63 97.21 6.57 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 174.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -79.03 164.47 24.32 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.76 -178.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.489 ' HB3' HG22 ' A' ' 52' ' ' THR . 29.1 mt-10 -129.3 141.37 51.12 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 175.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.403 ' O ' ' HA ' ' A' ' 52' ' ' THR . . . -118.69 135.53 54.42 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.829 0.347 . . . . 0.0 110.713 -177.116 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.3 m -94.55 129.36 41.4 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.832 -178.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -102.79 129.92 49.6 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.37 175.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.449 ' HB3' ' HB ' ' A' ' 10' ' ' VAL . 19.7 tttp -95.04 121.29 62.8 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.667 -172.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 7.8 Cg_exo -72.95 115.43 4.35 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 122.888 2.392 . . . . 0.0 111.596 176.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.6 mt -58.57 -33.93 70.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.658 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -91.05 20.61 4.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.118 0.485 . . . . 0.0 111.189 -175.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.66 145.14 4.77 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.225 -178.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.21 -178.51 26.7 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.869 -0.681 . . . . 0.0 111.614 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.7 mt -82.97 139.4 33.35 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 176.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -67.17 125.91 27.53 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.144 0.497 . . . . 0.0 110.539 -178.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -82.78 104.48 13.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.043 -177.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.489 HG22 ' HB3' ' A' ' 39' ' ' GLU . 14.1 m -96.51 107.54 19.96 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.598 -178.444 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -109.68 153.29 24.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.533 -179.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.428 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 25.2 ttm180 -85.74 144.55 27.72 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.059 -174.234 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.468 HD11 ' HG ' ' A' ' 63' ' ' LEU . 70.6 mt -129.75 153.18 48.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.604 -175.201 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -90.12 164.37 14.49 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 167.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.65 -39.91 74.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.906 0.384 . . . . 0.0 111.148 178.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -62.69 -44.5 96.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.684 177.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -67.82 -38.75 83.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.4 0.619 . . . . 0.0 109.861 178.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.426 ' CE1' ' HD2' ' A' ' 14' ' ' LYS . 78.5 t80 -54.87 -33.27 61.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.797 -1.092 . . . . 0.0 111.569 179.044 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -64.12 -30.47 71.53 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.28 177.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.83 -6.32 57.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.858 0.361 . . . . 0.0 111.467 -174.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.468 ' HG ' HD11 ' A' ' 55' ' ' LEU . 4.3 mm? -94.07 90.69 6.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.225 0.536 . . . . 0.0 111.061 -179.406 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.6 m -88.36 111.94 22.31 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.473 178.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 42.8 t -62.55 125.73 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.214 0.53 . . . . 0.0 111.376 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 96.73 -23.78 33.84 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.88 -177.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -78.54 92.6 4.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.12 0.486 . . . . 0.0 110.065 -178.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -60.45 134.91 57.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.915 177.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.34 176.13 37.9 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.369 -0.92 . . . . 0.0 112.335 -175.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.5 m -78.22 136.74 37.85 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.236 0.541 . . . . 0.0 111.283 -173.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.474 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 45.9 tp -117.43 125.0 50.21 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.72 178.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.532 ' HB3' HD21 ' A' ' 4' ' ' LEU . 35.2 m -101.31 112.05 24.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.094 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 55.2 p90 -136.11 157.75 46.08 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.916 0.389 . . . . 0.0 110.755 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -130.96 120.37 23.43 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 176.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.28 -114.03 5.5 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 120.218 -0.991 . . . . 0.0 111.317 -177.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.3 m -115.44 3.39 14.1 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.014 0.435 . . . . 0.0 110.487 178.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 56.4 ttt85 -105.68 141.3 37.36 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.331 0.586 . . . . 0.0 111.77 -173.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -75.39 133.46 41.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.708 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.8 t -108.0 -55.12 5.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.909 0.385 . . . . 0.0 110.43 177.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -168.28 154.34 24.14 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.518 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -107.14 135.86 47.96 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 177.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 47.0 t -125.22 102.27 10.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.875 0.369 . . . . 0.0 110.763 -177.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.8 t -67.51 155.68 38.49 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 174.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 84' ' ' ARG . 41.7 mtt180 -64.48 -29.91 70.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.94 0.4 . . . . 0.0 110.305 -178.609 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.443 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 77.6 m -151.39 116.93 3.18 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.757 174.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 85' ' ' THR . 6.3 Cg_exo -79.01 -163.41 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.146 2.564 . . . . 0.0 112.495 -179.604 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.72 -34.54 72.01 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.352 0.596 . . . . 0.0 109.708 177.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -126.07 -176.43 3.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.884 -178.045 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -81.83 -21.77 37.41 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.181 0.515 . . . . 0.0 109.626 174.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.8 mt -97.77 144.22 27.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.652 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -76.57 -8.33 57.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.243 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 64.32 25.2 13.44 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.247 -174.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -80.06 -10.96 59.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.508 0.671 . . . . 0.0 109.501 -178.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -133.27 100.39 4.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.018 170.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -85.64 1.9 47.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.149 0.5 . . . . 0.0 111.266 -175.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -152.61 139.35 18.88 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 171.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 7.2 m170 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.439 -0.791 . . . . 0.0 109.246 -179.851 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.9 mtp . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.431 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . . . -73.94 125.3 90.36 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.501 -179.653 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 2' ' ' ALA . 21.4 Cg_exo -65.8 -28.85 51.06 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.626 2.218 . . . . 0.0 111.367 178.19 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.545 HD21 ' HB3' ' A' ' 72' ' ' SER . 24.9 tp -102.06 116.36 32.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.202 178.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -80.93 112.84 18.69 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -178.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.48 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 96.8 mt-30 -116.67 138.55 51.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.102 -178.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -156.7 159.56 38.49 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.412 -0.813 . . . . 0.0 108.881 176.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -89.18 131.08 35.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.028 0.442 . . . . 0.0 110.072 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.6 m -134.75 174.25 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.716 -176.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.408 HG22 ' HG2' ' A' ' 68' ' ' GLN . 62.1 t -116.63 126.55 74.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.411 178.148 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.553 HG21 HD12 ' A' ' 63' ' ' LEU . 26.0 t -76.82 88.93 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 170.371 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 p -82.04 -53.55 6.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.356 -170.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -131.36 143.4 50.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.01 0.433 . . . . 0.0 111.63 -176.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.429 ' HE3' ' HB3' ' A' ' 14' ' ' LYS . 0.9 OUTLIER -98.07 121.51 40.09 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 170.44 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.443 HH12 ' CD ' ' A' ' 50' ' ' GLU . 47.1 mtt85 -118.95 153.02 35.29 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.53 -176.441 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -138.23 94.56 2.88 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 32.4 mtmm -98.89 116.81 65.11 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.319 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 17' ' ' LYS . 18.4 Cg_endo -61.56 111.75 1.25 Allowed 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.531 2.154 . . . . 0.0 111.579 176.267 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.0 t -105.17 112.49 38.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.803 178.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -81.49 62.31 5.31 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.74 -177.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -106.59 89.97 3.19 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 176.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -86.73 107.58 18.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.367 -171.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.0 ttt85 -63.83 -30.12 71.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.392 0.615 . . . . 0.0 109.79 173.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.483 ' OG ' ' HA3' ' A' ' 33' ' ' GLY . 4.4 m -64.73 -27.64 69.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.841 177.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.0 mtt85 61.87 28.92 17.7 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.12 0.485 . . . . 0.0 111.296 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -89.45 152.66 21.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.777 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -86.94 -17.39 33.25 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 172.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -65.03 164.4 12.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.643 -1.162 . . . . 0.0 111.038 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.6 t -92.55 14.41 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.331 0.586 . . . . 0.0 110.331 -177.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.3 m -67.88 115.36 27.18 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.43 -178.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -86.42 20.51 1.22 Allowed 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 122.778 2.319 . . . . 0.0 111.814 177.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.33 -31.86 72.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.131 -178.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.483 ' HA3' ' OG ' ' A' ' 24' ' ' SER . . . -100.33 30.39 10.28 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.032 179.334 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.7 m -147.5 133.8 19.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.851 0.357 . . . . 0.0 110.315 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.3 m -115.87 160.53 20.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.178 178.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 82.9 mtp -72.07 143.37 49.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.94 0.4 . . . . 0.0 110.296 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -116.88 106.59 13.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.465 -176.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -86.55 106.49 17.57 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -103.45 144.54 31.26 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 121.134 0.492 . . . . 0.0 110.49 -172.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.5 129.09 55.17 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.91 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.691 ' HB3' ' HB3' ' A' ' 50' ' ' GLU . 17.0 m -94.39 122.77 37.29 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.209 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -102.67 118.49 36.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.102 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.459 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 81.8 tttt -95.19 128.71 37.7 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.753 -177.436 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 14.1 Cg_exo -70.22 127.21 13.9 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 123.093 2.529 . . . . 0.0 112.096 176.333 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.91 -24.15 67.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.513 -177.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -106.35 23.62 13.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.312 0.577 . . . . 0.0 110.998 -174.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.54 140.54 10.68 Favored Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.419 179.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.25 174.77 21.04 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 111.394 -0.682 . . . . 0.0 111.394 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 76.8 mt -89.26 152.0 21.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.718 0.294 . . . . 0.0 110.209 178.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.691 ' HB3' ' HB3' ' A' ' 41' ' ' SER . 45.4 mt-10 -66.11 127.49 32.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.542 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.9 mttp -89.18 104.02 16.6 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.899 175.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.0 m -84.22 98.24 9.84 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.86 -177.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -97.59 139.76 33.01 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 176.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.3 mtt-85 -87.11 137.62 32.19 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.501 -174.115 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.6 mt -132.54 171.43 13.8 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.89 -176.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -96.93 169.97 9.48 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.353 173.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.39 -38.14 89.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.077 0.465 . . . . 0.0 110.038 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -60.47 -43.0 97.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.489 175.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -70.12 -35.62 74.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.117 -179.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -66.64 -25.5 66.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.162 0.506 . . . . 0.0 110.423 177.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -75.82 -9.66 58.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.608 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -89.97 -32.86 16.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.83 -177.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.553 HD12 HG21 ' A' ' 11' ' ' VAL . 2.4 pt? -114.78 165.24 13.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 110.925 -176.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.598 ' HB ' ' HB2' ' A' ' 67' ' ' ASP . 24.2 m -123.05 140.62 52.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.765 -177.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 55.8 t -69.44 120.18 16.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 175.35 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.63 -12.4 53.9 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 121.149 -0.548 . . . . 0.0 111.819 -174.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.598 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 13.0 t70 -78.67 93.27 4.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.093 0.473 . . . . 0.0 109.916 -179.569 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.408 ' HG2' HG22 ' A' ' 10' ' ' VAL . 45.6 mt-30 -67.37 127.7 33.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.991 177.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.47 -170.92 26.81 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.995 -176.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.2 m -95.34 138.59 32.82 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.019 0.438 . . . . 0.0 111.053 -174.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.48 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 65.9 tp -117.44 131.24 56.78 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.252 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.545 ' HB3' HD21 ' A' ' 4' ' ' LEU . 20.1 m -103.49 114.15 28.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.548 176.708 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -140.35 170.18 16.3 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.627 -177.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -137.88 87.38 2.25 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 174.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.81 -137.1 23.82 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -171.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.8 m -89.76 65.68 6.86 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.189 0.519 . . . . 0.0 109.905 176.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 19.5 ttm-85 -153.51 125.66 7.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.801 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -79.45 117.8 20.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.4 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.2 t -98.25 -48.65 12.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.125 0.488 . . . . 0.0 109.72 175.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -179.14 139.86 4.13 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.322 177.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -98.41 124.25 42.99 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 176.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 36.9 t -110.32 95.08 3.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.273 0.559 . . . . 0.0 110.4 -177.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.442 ' O ' ' HD2' ' A' ' 86' ' ' PRO . 14.1 p -74.85 164.02 27.02 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 173.077 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -95.48 17.64 14.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.416 0.627 . . . . 0.0 110.305 -176.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.413 ' CB ' ' HD3' ' A' ' 86' ' ' PRO . 0.0 OUTLIER -65.72 -50.88 52.71 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.459 172.636 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.442 ' HD2' ' O ' ' A' ' 83' ' ' SER . 12.9 Cg_exo -71.72 -166.48 0.25 Allowed 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 122.481 2.12 . . . . 0.0 112.068 173.269 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -91.11 3.84 53.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.614 -175.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 14.4 m120 59.44 26.29 15.19 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.13 0.491 . . . . 0.0 110.299 -175.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -75.12 -7.15 52.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.686 -177.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.8 mt -74.17 -22.95 59.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.717 174.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -92.81 148.54 21.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.129 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 44.9 m170 -86.06 112.57 21.38 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 161.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -59.7 107.17 0.56 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.443 0.639 . . . . 0.0 111.192 -168.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 37.9 p-80 -110.5 21.76 16.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.138 -174.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -115.69 -43.55 3.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.238 174.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -134.4 120.65 20.08 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 175.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 15.0 p-80 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.235 -0.888 . . . . 0.0 109.876 177.559 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 120.891 0.377 . . . . 0.0 110.122 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.18 85.11 34.35 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 -178.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -94.38 12.98 1.55 Allowed 'Trans proline' 0 N--CA 1.454 -0.82 0 C-N-CA 123.425 2.75 . . . . 0.0 112.838 179.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.418 ' CD1' ' HB3' ' A' ' 72' ' ' SER . 2.3 pt? -77.7 158.26 29.74 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -96.71 121.15 38.25 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.618 0.246 . . . . 0.0 110.461 -177.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -105.07 109.34 21.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.168 0.508 . . . . 0.0 110.354 175.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -125.06 137.2 54.21 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.282 179.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.444 ' HG2' ' HA ' ' A' ' 70' ' ' THR . 75.2 mt-30 -82.98 132.06 35.16 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.379 177.609 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.433 HG12 ' HA ' ' A' ' 44' ' ' PRO . 21.3 m -126.69 167.43 21.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.162 -175.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.517 HG22 ' HG2' ' A' ' 68' ' ' GLN . 49.0 t -103.82 122.08 56.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.349 176.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.503 HG21 HD12 ' A' ' 63' ' ' LEU . 23.8 t -72.37 97.3 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 172.533 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.65 ' HB3' ' HB3' ' A' ' 41' ' ' SER . 29.4 t -71.98 -57.25 4.45 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.654 -171.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -175.45 162.43 2.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.261 -176.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.1 pttt -84.65 133.57 34.4 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 173.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -132.72 150.18 52.19 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.402 0.62 . . . . 0.0 110.73 -177.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -109.31 120.06 41.36 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.779 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.666 ' HE3' HG21 ' A' ' 52' ' ' THR . 92.5 mttt -89.83 150.49 43.96 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.569 178.715 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -50.61 121.03 7.24 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.852 2.368 . . . . 0.0 111.821 177.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 40.0 t -65.13 110.71 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.881 -177.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -87.27 -5.12 59.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.192 177.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -75.01 97.43 3.39 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 107.913 -1.144 . . . . 0.0 107.913 172.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 22' ' ' ARG . 12.4 mtm-85 -66.11 131.75 46.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.661 0.743 . . . . 0.0 112.708 -168.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -69.66 162.52 27.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.461 -1.245 . . . . 0.0 111.087 -177.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.5 m -85.6 119.52 26.03 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 174.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.4 mtm180 -61.83 -45.76 92.41 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.11 0.481 . . . . 0.0 110.449 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -98.17 143.98 28.12 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 177.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -79.03 92.72 5.01 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.424 0.631 . . . . 0.0 112.215 -171.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -92.99 178.91 5.6 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.404 -0.816 . . . . 0.0 108.807 168.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.9 t -76.25 -56.69 7.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.5 m 54.43 79.75 0.33 Allowed Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.263 178.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -76.75 33.4 0.42 Allowed 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.958 2.439 . . . . 0.0 113.043 -175.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.14 -31.87 23.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.138 0.494 . . . . 0.0 110.148 178.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.59 -140.76 15.78 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.118 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 60.6 m -149.87 114.49 5.28 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.827 0.346 . . . . 0.0 110.418 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.9 p -74.76 94.1 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 66.8 mtm -71.21 115.12 9.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.283 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.6 mtm-85 -122.33 105.05 9.85 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.074 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -90.55 111.61 22.97 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 175.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.75 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 51.6 mt-10 -103.3 145.04 30.55 Favored 'General case' 0 C--N 1.31 -1.137 0 C-N-CA 119.91 -0.716 . . . . 0.0 109.143 -174.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.35 148.75 42.18 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 121.254 0.549 . . . . 0.0 111.122 -170.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.65 ' HB3' ' HB3' ' A' ' 12' ' ' SER . 11.6 t -94.82 112.65 24.36 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.982 -177.354 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.456 ' CD1' ' HD2' ' A' ' 53' ' ' PHE . 96.3 m-85 -106.27 108.43 19.95 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.961 178.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.606 ' HB2' ' HG2' ' A' ' 50' ' ' GLU . 59.9 tttp -95.48 124.56 52.77 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.167 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.433 ' HA ' HG12 ' A' ' 9' ' ' VAL . 24.1 Cg_exo -65.01 134.77 41.16 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.729 2.286 . . . . 0.0 111.435 172.644 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.2 mt -63.68 -60.06 3.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.142 0.496 . . . . 0.0 111.89 -177.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -99.16 89.04 4.1 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.395 -174.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.39 95.87 0.14 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.134 -0.555 . . . . 0.0 113.123 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 169.18 143.43 3.86 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.163 -1.018 . . . . 0.0 112.995 178.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.5 tp -88.94 154.9 19.85 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.606 ' HG2' ' HB2' ' A' ' 43' ' ' LYS . 42.6 mt-10 -59.04 129.03 40.19 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 123.412 0.445 . . . . 0.0 111.704 -177.168 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -102.01 143.14 32.23 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 173.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.666 HG21 ' HE3' ' A' ' 17' ' ' LYS . 3.6 m -108.95 118.1 35.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.687 0.28 . . . . 0.0 111.137 -176.384 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.456 ' HD2' ' CD1' ' A' ' 42' ' ' PHE . 90.6 m-85 -115.78 149.01 39.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.622 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.75 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 37.0 ttm180 -82.22 131.52 35.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.323 -174.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.448 ' HB3' ' HB2' ' A' ' 60' ' ' TYR . 83.3 mt -133.96 142.46 47.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.19 0.519 . . . . 0.0 110.992 179.032 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.432 ' H ' ' HB2' ' A' ' 59' ' ' GLN . 79.7 mt-30 -119.42 -167.76 1.46 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.379 172.197 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -43.86 -76.46 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -169.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -70.74 -21.71 62.5 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.673 -174.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.432 ' HB2' ' H ' ' A' ' 56' ' ' GLN . 88.0 mt-30 -71.51 -45.3 62.82 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.941 0.4 . . . . 0.0 110.38 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.448 ' HB2' ' HB3' ' A' ' 55' ' ' LEU . 86.0 t80 -75.82 -23.95 55.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.326 0.584 . . . . 0.0 110.247 178.221 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -72.18 -16.6 61.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.995 -179.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.72 -6.23 58.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.928 -176.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.503 HD12 HG21 ' A' ' 11' ' ' VAL . 2.4 pt? -144.16 164.48 30.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.836 0.35 . . . . 0.0 110.393 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.4 m -123.17 144.51 49.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.483 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 44.8 t -61.6 124.6 16.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.07 0.462 . . . . 0.0 110.408 174.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.27 -18.06 54.65 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.976 -176.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -78.51 92.57 4.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.176 0.512 . . . . 0.0 109.779 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.678 ' O ' ' HD3' ' A' ' 84' ' ' ARG . 86.4 mt-30 -62.4 134.12 56.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.196 175.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.28 177.33 37.65 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.191 -1.004 . . . . 0.0 112.527 -175.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.495 ' HB ' ' HB ' ' A' ' 82' ' ' VAL . 17.2 m -84.92 133.4 34.29 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.933 0.396 . . . . 0.0 111.319 -172.396 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.6 tp -117.19 124.56 49.41 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.199 178.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.418 ' HB3' ' CD1' ' A' ' 4' ' ' LEU . 18.3 m -104.87 122.97 46.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.615 179.026 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.407 ' HA ' HG23 ' A' ' 79' ' ' VAL . 50.9 p90 -150.11 160.92 43.29 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.222 0.534 . . . . 0.0 111.152 -175.207 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -123.69 104.81 9.22 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.33 -0.85 . . . . 0.0 108.958 173.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.3 -114.2 4.08 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.515 -0.85 . . . . 0.0 111.356 -176.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.9 p -113.37 4.7 16.47 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.855 0.359 . . . . 0.0 110.92 177.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.2 ttt85 -97.39 133.12 42.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.113 0.482 . . . . 0.0 111.471 -175.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.417 ' HB2' ' CD1' ' A' ' 53' ' ' PHE . 52.9 t80 -70.27 127.56 33.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.667 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.407 HG23 ' HA ' ' A' ' 73' ' ' TYR . 85.6 t -108.86 -49.91 7.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.328 176.411 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -170.51 155.49 25.04 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.013 178.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -126.23 133.15 51.57 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.495 ' HB ' ' HB ' ' A' ' 70' ' ' THR . 43.3 t -109.61 95.74 4.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.784 178.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.2 p -79.07 152.99 30.52 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.545 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.678 ' HD3' ' O ' ' A' ' 68' ' ' GLN . 27.4 mtp-105 -83.17 -23.6 32.85 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.359 179.213 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 60.6 m -133.15 89.82 32.4 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.813 173.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -93.3 179.17 1.1 Allowed 'Trans proline' 0 N--CA 1.454 -0.828 0 C-N-CA 123.569 2.846 . . . . 0.0 111.938 176.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.4 p30 -87.17 -16.47 35.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.036 0.446 . . . . 0.0 110.933 178.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -144.36 139.77 28.68 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.702 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -65.01 -29.04 69.93 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 172.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.2 mt -98.92 -164.95 1.18 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.934 177.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -97.54 -174.38 2.9 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.755 0.312 . . . . 0.0 110.243 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -98.45 5.51 47.99 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.532 0.682 . . . . 0.0 109.211 175.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -142.21 135.94 29.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.002 176.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -65.05 -51.35 62.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.658 0.266 . . . . 0.0 111.341 -174.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -87.6 144.97 26.41 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 -68.39 -47.15 68.11 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 175.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 33.3 m80 . . . . . 0 C--O 1.246 0.879 0 CA-C-N 114.67 -1.15 . . . . 0.0 108.7 171.777 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.1 mtt . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 120.69 0.281 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.452 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . . . -146.32 146.33 27.22 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.026 -176.241 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.455 ' HB2' ' HG3' ' A' ' 74' ' ' LYS . 12.5 Cg_exo -71.13 -26.06 21.72 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 123.004 2.469 . . . . 0.0 112.242 177.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.514 HD11 ' HB3' ' A' ' 72' ' ' SER . 24.0 tp -87.16 105.87 17.49 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.645 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -92.73 113.24 25.46 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.929 0.395 . . . . 0.0 110.114 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.495 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 97.3 mt-30 -103.49 114.63 29.05 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.548 179.16 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -133.36 169.2 17.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.928 177.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -86.84 125.95 34.32 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 173.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.2 m -124.01 157.96 30.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 120.817 0.341 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.545 HG22 ' HG2' ' A' ' 68' ' ' GLN . 26.0 t -103.01 120.6 53.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.413 178.281 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.563 HG21 ' HB2' ' A' ' 63' ' ' LEU . 48.1 t -67.87 104.3 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 171.461 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.4 t -97.04 -58.13 2.1 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.184 -169.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -127.59 146.32 50.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.888 0.375 . . . . 0.0 111.676 -174.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -113.12 124.97 53.81 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 170.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -138.83 163.6 31.83 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.711 -171.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -146.63 110.11 4.84 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.282 171.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -96.2 112.85 61.01 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.765 177.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -76.37 105.49 2.09 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 123.006 2.471 . . . . 0.0 111.311 175.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.664 HG12 ' H ' ' A' ' 21' ' ' ASP . 40.2 t -73.42 140.49 17.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.31 -179.377 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -67.61 -27.9 67.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.015 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.664 ' H ' HG12 ' A' ' 19' ' ' VAL . 35.5 t70 -74.65 111.04 9.45 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 175.257 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 51.2 mtp85 -114.42 170.58 8.2 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.379 -174.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -69.06 -69.35 0.34 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 170.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.3 m -84.65 121.53 27.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.18 171.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 25' ' ' ARG . 38.5 mtt180 -59.97 -36.93 78.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.229 0.537 . . . . 0.0 110.24 -178.458 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -73.44 130.57 40.42 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.354 178.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -123.47 120.35 32.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.591 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -124.92 -170.24 2.13 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 174.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.4 t -85.43 60.81 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.613 0.72 . . . . 0.0 110.16 -176.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.449 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 33.7 t -128.92 110.81 18.53 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.392 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.449 ' HD2' ' HA ' ' A' ' 30' ' ' SER . 27.5 Cg_endo -64.22 -19.63 66.1 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.908 2.405 . . . . 0.0 111.887 177.161 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.98 -20.38 57.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.308 176.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.83 32.64 5.92 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.989 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.3 t -163.7 162.62 24.15 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.6 p -125.12 116.36 21.93 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.762 0.315 . . . . 0.0 110.623 -178.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 87.4 mtp -88.29 147.71 24.67 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.997 178.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.416 ' H ' ' HE ' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -160.47 105.5 1.46 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.109 0.481 . . . . 0.0 110.383 -178.022 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.403 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 2.3 m-30 -61.36 125.18 22.84 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.538 -174.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.898 ' HG2' ' HG2' ' A' ' 54' ' ' ARG . 34.8 mt-10 -103.53 135.74 44.56 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 -179.337 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.22 128.95 55.19 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.883 0.373 . . . . 0.0 111.172 -175.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.743 ' HB3' ' HB3' ' A' ' 50' ' ' GLU . 20.2 m -94.42 121.58 36.1 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.72 177.367 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -102.73 127.86 49.69 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.191 -178.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.507 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 72.8 tttt -95.92 122.42 58.49 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.295 -176.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.507 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 3.8 Cg_exo -76.28 132.39 13.72 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.856 2.37 . . . . 0.0 112.601 -178.678 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.99 -23.66 64.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.197 178.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -87.01 17.27 4.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.821 -175.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.43 127.29 0.27 Allowed Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.439 -0.801 . . . . 0.0 112.599 -177.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 169.3 -147.1 10.73 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.531 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.0 mt -123.75 154.68 39.16 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.251 -0.278 . . . . 0.0 110.251 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.743 ' HB3' ' HB3' ' A' ' 41' ' ' SER . 23.9 mt-10 -68.28 113.37 5.83 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.031 -177.597 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 41' ' ' SER . 61.4 mttm -82.6 120.86 26.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.589 178.634 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 24.8 m -102.51 110.77 22.81 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.946 0.403 . . . . 0.0 111.34 -175.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -112.85 151.54 30.3 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.951 178.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.898 ' HG2' ' HG2' ' A' ' 39' ' ' GLU . 85.6 mtm-85 -88.5 135.32 33.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.959 0.409 . . . . 0.0 111.056 -177.608 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 91.3 mt -133.03 167.82 19.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.2 -174.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -104.27 165.94 10.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.842 174.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.82 -35.95 82.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.057 0.455 . . . . 0.0 110.239 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -57.15 -34.21 68.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.828 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -86.93 -39.51 15.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.522 -178.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -63.59 -17.1 62.5 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.373 178.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -52.46 -30.39 29.52 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.149 176.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.54 -61.06 1.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -176.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.563 ' HB2' HG21 ' A' ' 11' ' ' VAL . 0.7 OUTLIER -72.93 133.91 44.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.447 0.641 . . . . 0.0 111.846 -172.849 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.8 m -123.2 149.73 44.28 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.646 177.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 83.6 t -59.66 125.62 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.813 0.34 . . . . 0.0 110.656 178.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.16 -23.64 32.47 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.78 -176.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -76.24 96.37 3.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.3 0.571 . . . . 0.0 110.469 -177.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.545 ' HG2' HG22 ' A' ' 10' ' ' VAL . 79.2 mt-30 -61.29 143.16 56.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.17 174.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.483 ' HA3' ' HA ' ' A' ' 83' ' ' SER . . . -161.41 177.51 37.69 Favored Glycine 0 N--CA 1.443 -0.881 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.9 m -91.65 130.94 37.37 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.134 0.493 . . . . 0.0 110.531 -175.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.495 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 58.3 tp -117.27 122.39 43.82 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.668 -177.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.541 ' O ' ' HB ' ' A' ' 79' ' ' VAL . 22.8 m -98.1 105.22 17.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.352 175.436 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.3 p90 -121.27 122.67 40.43 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.372 0.606 . . . . 0.0 110.188 175.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.455 ' HG3' ' HB2' ' A' ' 3' ' ' PRO . 36.6 ttmt -98.66 103.86 15.85 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.491 -0.777 . . . . 0.0 108.996 -178.481 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.95 -114.46 3.83 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.542 -0.837 . . . . 0.0 111.111 -174.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.9 p -119.56 16.07 12.86 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.061 0.458 . . . . 0.0 110.733 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' A' ' 77' ' ' ARG . 22.5 ttm-85 -112.95 139.0 48.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.76 -175.047 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -69.51 116.03 9.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.801 174.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.541 ' HB ' ' O ' ' A' ' 72' ' ' SER . 98.5 t -97.37 -57.21 4.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.702 0.287 . . . . 0.0 110.388 178.29 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -165.3 143.29 8.34 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.352 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -117.95 128.62 54.98 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 177.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.9 t -131.69 111.7 19.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.225 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.483 ' HA ' ' HA3' ' A' ' 69' ' ' GLY . 51.5 m -59.99 144.74 48.45 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 174.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -74.88 -6.52 49.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.983 0.421 . . . . 0.0 110.849 -178.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.46 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 34.6 m -97.14 114.62 65.0 Favored Pre-proline 0 N--CA 1.45 -0.463 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 170.143 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 85' ' ' THR . 16.7 Cg_exo -67.08 135.62 38.08 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.803 2.335 . . . . 0.0 113.207 -175.156 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -73.13 152.48 41.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.734 174.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -94.45 35.4 1.21 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.03 0.443 . . . . 0.0 111.559 -169.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -109.33 -68.11 0.94 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.827 0.346 . . . . 0.0 110.81 178.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.15 129.37 39.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -176.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -82.08 122.15 27.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.285 -179.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -121.54 136.47 54.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.108 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -70.17 -28.02 65.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.096 0.474 . . . . 0.0 109.887 178.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -115.86 118.54 33.26 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 177.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -100.05 -42.26 6.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.016 -174.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -80.64 143.33 33.18 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -177.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.527 -0.749 . . . . 0.0 110.829 -175.284 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.483 1.176 0 CA-C-O 120.586 0.231 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.34 83.0 0.22 Allowed Pre-proline 0 C--O 1.233 0.191 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.583 -178.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -64.44 -38.39 33.95 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.446 2.097 . . . . 0.0 111.104 175.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.493 HD21 ' HB2' ' A' ' 72' ' ' SER . 31.8 tp -108.62 109.05 20.16 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.627 173.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -80.36 112.45 17.7 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.203 0.525 . . . . 0.0 109.984 -176.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.421 ' HB3' ' CG2' ' A' ' 70' ' ' THR . 95.6 mt-30 -113.18 115.58 28.47 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.79 -176.399 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -136.15 149.51 48.66 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 173.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -84.45 141.1 31.05 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.117 0.484 . . . . 0.0 111.351 -176.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.2 m -137.7 172.58 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.582 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.535 HG22 ' HG2' ' A' ' 68' ' ' GLN . 41.6 t -107.78 119.32 57.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.096 175.54 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.66 HG21 HD12 ' A' ' 63' ' ' LEU . 16.5 t -68.62 96.53 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 171.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.3 t -79.25 -48.57 13.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.872 -167.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -164.73 151.8 11.16 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.873 -175.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -88.28 151.08 22.89 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 173.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -138.96 168.25 20.25 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.816 0.341 . . . . 0.0 110.602 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -142.91 95.03 2.71 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 171.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.502 ' NZ ' ' HA ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -109.82 90.81 9.68 Favored Pre-proline 0 C--N 1.32 -0.697 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 176.395 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.402 ' HB3' ' O ' ' A' ' 33' ' ' GLY . 29.7 Cg_endo -63.82 136.45 53.34 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.179 1.92 . . . . 0.0 111.423 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.496 HG12 ' H ' ' A' ' 21' ' ' ASP . 46.9 t -59.27 122.87 10.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 175.663 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -67.15 -1.7 4.69 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.057 -172.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.496 ' H ' HG12 ' A' ' 19' ' ' VAL . 6.3 m-20 -81.19 -10.18 59.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.866 0.365 . . . . 0.0 110.488 176.101 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -87.21 91.17 8.62 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 175.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.464 ' CZ ' ' HA ' ' A' ' 21' ' ' ASP . 42.6 mtt85 -121.25 -165.9 1.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.36 0.6 . . . . 0.0 110.883 -174.236 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.6 t -109.86 167.33 10.24 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.035 175.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -78.48 -20.34 51.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.221 0.534 . . . . 0.0 109.956 177.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -135.45 -171.1 2.75 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.826 178.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -94.2 -10.6 32.51 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 173.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -82.93 122.1 27.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.297 175.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 56.2 t 63.93 89.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.336 0.588 . . . . 0.0 110.467 -177.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.3 m -128.09 109.63 19.9 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.607 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -67.18 148.98 81.7 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.848 2.365 . . . . 0.0 111.892 178.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.8 -18.17 59.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.083 0.468 . . . . 0.0 110.665 -178.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.402 ' O ' ' HB3' ' A' ' 18' ' ' PRO . . . 104.07 30.96 4.9 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.891 179.311 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.2 m -68.03 143.81 55.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.854 0.359 . . . . 0.0 110.882 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.4 p -154.91 166.9 32.07 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.527 177.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 89.3 mmm -94.21 -2.71 52.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.1 0.476 . . . . 0.0 110.449 178.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -97.0 93.74 6.77 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.373 175.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -85.09 -173.25 4.61 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.734 -175.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -132.41 152.41 51.49 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.447 ' O ' ' HA ' ' A' ' 52' ' ' THR . . . -123.69 132.98 53.96 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.679 0.276 . . . . 0.0 110.864 -178.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.482 ' OG ' ' HB3' ' A' ' 50' ' ' GLU . 12.4 t -96.64 117.79 31.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.058 179.002 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -102.88 117.69 35.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.279 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 87.2 tttt -98.63 124.98 44.3 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.237 -178.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 23.5 Cg_exo -65.03 139.02 59.48 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.89 2.393 . . . . 0.0 112.36 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 71.2 mt -63.03 -34.76 78.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.417 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.67 23.24 8.92 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.684 -172.303 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.96 148.85 6.08 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.638 -176.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.31 -172.54 29.34 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.252 -0.975 . . . . 0.0 112.371 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.2 mt -81.77 148.53 28.86 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.801 0.334 . . . . 0.0 110.822 -177.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.482 ' HB3' ' OG ' ' A' ' 41' ' ' SER . 42.6 mt-10 -82.51 112.3 19.31 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.302 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -82.47 113.2 20.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.274 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 24.4 m -98.33 113.57 25.58 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.719 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -116.31 149.88 38.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.936 178.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -88.03 125.95 34.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.935 0.398 . . . . 0.0 111.163 -174.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.5 mt -131.76 135.99 47.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.093 -175.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -81.03 173.31 12.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.122 178.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.98 -46.42 89.5 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.861 0.363 . . . . 0.0 111.328 -178.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -64.01 -33.37 75.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.268 178.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -78.57 -41.3 32.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.503 -178.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -59.2 -35.99 74.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.075 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -84.03 23.43 1.04 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -177.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.65 -11.8 21.7 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 168.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.66 HD12 HG21 ' A' ' 11' ' ' VAL . 1.5 pt? -142.62 171.51 13.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.246 -178.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.542 ' HB ' ' HB2' ' A' ' 67' ' ' ASP . 1.3 m -123.32 154.23 39.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.66 -179.092 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 49.0 t -71.7 121.04 21.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 170.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.92 -5.19 66.16 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.982 -0.628 . . . . 0.0 111.586 -173.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.542 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 0.9 OUTLIER -77.96 90.74 4.17 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.838 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.535 ' HG2' HG22 ' A' ' 10' ' ' VAL . 97.0 mt-30 -64.81 120.36 12.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.751 176.42 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.54 176.8 38.02 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.28 -0.962 . . . . 0.0 112.22 -176.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.421 ' CG2' ' HB3' ' A' ' 6' ' ' GLN . 7.1 m -77.04 139.84 40.16 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.964 0.411 . . . . 0.0 110.9 -175.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 52.4 tp -117.38 116.05 26.43 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.493 ' HB2' HD21 ' A' ' 4' ' ' LEU . 8.2 p -93.9 110.96 22.6 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.532 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -139.13 166.34 24.77 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.248 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -126.35 91.95 3.47 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 175.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.45 -114.33 5.36 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.314 -0.946 . . . . 0.0 111.004 -175.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.2 p -94.44 -3.28 50.39 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.876 0.369 . . . . 0.0 111.063 177.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -89.13 113.4 24.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.661 -175.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -73.88 125.28 27.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.271 175.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.0 t -106.97 -50.3 7.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.748 0.309 . . . . 0.0 110.75 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -176.5 177.03 48.01 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.595 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -125.23 134.1 52.46 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 62.1 t -127.05 98.69 4.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.961 0.41 . . . . 0.0 111.096 -176.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.413 ' HB3' ' HG3' ' A' ' 86' ' ' PRO . 35.4 t -85.06 154.56 22.0 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 173.704 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 88.8 mtt-85 -60.13 -50.93 71.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.061 0.458 . . . . 0.0 110.266 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 86.7 m -155.76 98.29 2.27 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.807 177.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.413 ' HG3' ' HB3' ' A' ' 83' ' ' SER . 7.5 Cg_exo -73.29 164.41 35.32 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.889 2.392 . . . . 0.0 111.901 179.514 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -59.44 -18.73 41.9 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.937 0.399 . . . . 0.0 111.427 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -65.61 -36.54 84.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.29 0.567 . . . . 0.0 110.109 176.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -84.38 -10.63 57.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.021 -173.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.7 mt -69.75 -19.46 63.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.347 0.594 . . . . 0.0 110.05 176.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.473 ' CD ' ' H ' ' A' ' 93' ' ' HIS . 7.7 tm-20 -65.91 121.85 16.02 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 172.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -74.84 6.3 4.15 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -169.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.473 ' H ' ' CD ' ' A' ' 91' ' ' GLU . 7.1 m-70 62.85 39.34 10.74 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 122.995 0.518 . . . . 0.0 110.969 173.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -69.65 -21.05 63.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.632 -178.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -142.69 76.95 1.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.847 -178.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.432 ' HD2' ' HA ' ' A' ' 93' ' ' HIS . 67.2 m-70 -139.8 -54.78 0.55 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.626 176.376 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 28.0 m170 . . . . . 0 C--O 1.246 0.872 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.282 -174.079 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 . . . . . 0 N--CA 1.448 -0.557 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.577 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 97.9 mt-30 -116.05 123.47 48.02 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.876 -177.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.405 ' HE2' ' OD1' ' A' ' 46' ' ' ASN . 41.4 tttp -142.58 150.59 40.55 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 175.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -77.6 129.62 35.84 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.784 0.326 . . . . 0.0 110.373 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.2 m -130.34 171.13 18.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.803 -178.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.528 HG22 ' HG2' ' A' ' 68' ' ' GLN . 87.4 t -109.79 123.84 66.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.493 176.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.2 t -75.53 93.74 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 169.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.2 p -81.69 -57.14 3.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.85 -168.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -155.12 153.76 31.32 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.429 -173.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -84.26 145.76 28.13 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 173.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 15' ' ' ARG . 4.1 ttm180 -137.56 161.5 36.26 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -176.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -145.71 101.02 3.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.93 0.395 . . . . 0.0 110.405 178.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt . . . . . 0 C--N 1.32 -0.703 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.741 173.577 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? . . . . . 0 N--CA 1.455 -0.188 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -72.62 140.22 47.87 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.191 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.691 ' HG2' ' HG2' ' A' ' 54' ' ' ARG . 39.0 mt-10 -104.06 148.57 26.09 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.013 0.435 . . . . 0.0 110.506 -176.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.53 133.44 55.86 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.868 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.1 m -94.53 116.1 28.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.384 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -102.91 110.35 22.24 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 176.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -95.38 128.93 36.55 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.73 -176.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -67.5 132.17 26.52 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.502 2.135 . . . . 0.0 111.609 174.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.7 mt -62.36 -30.19 71.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.821 -177.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.405 ' OD1' ' HE2' ' A' ' 7' ' ' LYS . 4.3 p-10 -86.83 17.26 4.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.161 0.505 . . . . 0.0 111.645 -175.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.78 143.49 4.88 Favored Glycine 0 C--N 1.317 -0.527 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.563 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.29 179.23 24.98 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.022 177.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.7 mt -74.42 139.02 43.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.868 0.366 . . . . 0.0 110.599 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -65.98 133.07 50.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.805 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -82.87 100.67 10.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.7 m -90.68 101.73 14.48 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.463 -178.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -101.82 141.39 34.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.313 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.691 ' HG2' ' HG2' ' A' ' 39' ' ' GLU . 81.4 mtt-85 -85.88 130.09 34.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.441 -177.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.1 mt -123.91 162.88 22.43 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.886 -175.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -86.05 167.01 15.4 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 172.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.66 97.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.058 0.456 . . . . 0.0 110.645 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -67.8 -29.15 68.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.57 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -81.18 -43.61 19.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.928 -177.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -61.79 -30.3 70.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.2 0.524 . . . . 0.0 110.442 177.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -73.44 -7.52 52.09 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.331 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.28 -15.24 29.47 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -174.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.433 ' H ' HD23 ' A' ' 63' ' ' LEU . 2.0 pt? -125.35 168.9 12.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.936 0.398 . . . . 0.0 110.849 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.5 m -123.09 136.57 54.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.214 -176.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 55.7 t -69.2 129.85 33.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.508 176.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.84 -19.64 46.38 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.734 -176.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -73.62 96.71 2.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.358 0.599 . . . . 0.0 110.604 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.528 ' HG2' HG22 ' A' ' 10' ' ' VAL . 79.3 mt-30 -67.69 126.22 28.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.419 173.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.38 -178.06 35.0 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.387 -0.911 . . . . 0.0 112.212 -176.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.563 ' HB ' ' HB ' ' A' ' 82' ' ' VAL . 7.5 m -82.96 139.96 33.05 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.887 0.375 . . . . 0.0 110.621 -174.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.577 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 49.2 tp -117.26 126.13 52.24 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 179.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.9 m -102.94 106.72 17.32 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.791 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -140.37 160.13 40.66 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.155 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -124.81 92.31 3.62 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.59 -114.12 4.01 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 -173.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.4 p -103.9 1.43 31.34 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.097 0.475 . . . . 0.0 110.559 175.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 22.8 ttt85 -92.65 112.56 24.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.819 -176.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -70.92 126.94 30.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.812 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.1 t -103.45 -58.84 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.444 177.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -168.24 162.58 36.37 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.542 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -113.59 134.37 54.74 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.563 ' HB ' ' HB ' ' A' ' 70' ' ' THR . 48.4 t -114.13 97.75 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.902 0.382 . . . . 0.0 110.625 -177.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.891 176.981 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 . . . . . 0 N--CA 1.446 -0.628 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.605 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 97.0 mt-30 -124.9 135.96 53.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.803 -176.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -154.59 149.68 26.91 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.244 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.443 ' HA ' ' HA ' ' A' ' 70' ' ' THR . 84.9 mt-30 -80.91 125.4 30.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.12 0.485 . . . . 0.0 110.256 175.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.7 m -129.42 172.66 15.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.569 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.536 HG22 ' HG2' ' A' ' 68' ' ' GLN . 40.6 t -109.42 123.72 65.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.232 178.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.6 t -75.25 97.23 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 173.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.8 m -69.53 -50.87 40.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.751 -173.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -177.25 169.1 2.31 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -176.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -76.97 155.1 32.92 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.934 0.397 . . . . 0.0 109.992 176.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.695 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 3.0 mmp_? -121.79 145.86 47.63 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 174.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -135.97 94.4 3.05 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 -178.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.405 175.778 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.635 ' HA ' ' NE ' ' A' ' 37' ' ' ARG . 2.4 mmp_? . . . . . 0 N--CA 1.45 -0.438 0 CA-C-O 120.803 0.335 . . . . 0.0 110.732 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -125.93 138.18 53.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.727 177.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.702 ' HG2' ' HG2' ' A' ' 54' ' ' ARG . 32.3 mt-10 -127.09 161.04 29.39 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.613 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.5 132.04 56.23 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.82 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.6 t -99.77 114.21 27.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.014 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -102.81 123.61 46.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.534 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.539 ' HA ' ' HG2' ' A' ' 50' ' ' GLU . 4.2 ttmp? -95.04 124.09 55.27 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.248 -177.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 6.2 Cg_exo -74.96 113.61 3.84 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 123.154 2.569 . . . . 0.0 112.024 175.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.1 mt -63.59 -21.08 66.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.175 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -105.03 22.9 14.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.068 0.461 . . . . 0.0 110.889 -175.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.44 137.87 3.79 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.591 -0.732 . . . . 0.0 112.257 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.21 172.19 18.63 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 121.066 -0.588 . . . . 0.0 111.872 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.4 tp -80.76 129.89 34.77 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 176.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.539 ' HG2' ' HA ' ' A' ' 43' ' ' LYS . 46.2 mt-10 -59.97 138.63 57.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.957 0.408 . . . . 0.0 110.881 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -94.68 139.64 30.96 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.429 -176.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.3 m -123.62 117.51 25.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.656 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -120.29 136.84 54.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.222 178.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.702 ' HG2' ' HG2' ' A' ' 39' ' ' GLU . 61.0 mtm180 -79.51 134.27 36.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.207 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.2 mt -126.1 169.07 13.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.47 0.652 . . . . 0.0 111.987 -173.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.503 ' HB2' ' HG3' ' A' ' 59' ' ' GLN . 96.7 mt-30 -90.81 174.16 7.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.519 171.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.44 -44.76 86.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.261 0.553 . . . . 0.0 110.518 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -69.77 -21.61 63.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.994 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.503 ' HG3' ' HB2' ' A' ' 56' ' ' GLN . 92.3 mt-30 -84.04 -31.7 25.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.251 0.548 . . . . 0.0 109.7 176.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -68.07 -23.07 64.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.937 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -80.97 -10.31 59.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.481 176.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.15 -8.11 46.55 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -172.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -139.47 141.37 37.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.989 0.423 . . . . 0.0 111.096 179.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.4 m -110.4 139.32 45.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.204 -176.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 69.9 t -64.96 129.06 28.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.574 176.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.88 -25.0 25.83 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 121.011 -0.614 . . . . 0.0 111.936 -177.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -75.94 96.15 3.69 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.281 0.563 . . . . 0.0 110.447 -177.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.536 ' HG2' HG22 ' A' ' 10' ' ' VAL . 73.0 mt-30 -60.24 128.2 35.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.065 174.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.32 172.28 37.52 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.348 -0.93 . . . . 0.0 112.413 -177.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.443 ' HA ' ' HA ' ' A' ' 8' ' ' GLN . 22.9 m -82.72 141.26 32.54 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.034 0.445 . . . . 0.0 111.009 -175.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.605 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 61.2 tp -117.39 127.99 54.58 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.052 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.2 m -104.04 115.85 31.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.873 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.478 ' HA ' HG23 ' A' ' 79' ' ' VAL . 52.2 p90 -144.52 164.69 30.15 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.922 0.391 . . . . 0.0 110.686 178.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -131.83 111.86 11.98 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 177.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.71 -114.39 5.06 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.003 -1.094 . . . . 0.0 110.933 -174.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 37.5 p -117.29 13.96 14.68 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.711 0.291 . . . . 0.0 111.008 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 23.4 ttp180 -102.65 127.67 49.66 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.073 0.464 . . . . 0.0 111.329 -178.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -68.28 118.34 11.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.129 177.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.478 HG23 ' HA ' ' A' ' 73' ' ' TYR . 66.4 t -96.96 -46.85 12.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.805 0.336 . . . . 0.0 110.255 178.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 176.21 148.18 6.84 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.377 177.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -96.08 129.98 43.22 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 176.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 47.0 t -122.85 94.72 3.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.184 0.516 . . . . 0.0 110.65 -176.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.3 t . . . . . 0 C--N 1.319 -0.744 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 174.945 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 . . . . . 0 CA--C 1.515 -0.397 0 CA-C-O 120.926 0.393 . . . . 0.0 110.739 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.459 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 91.8 mt-30 -122.89 109.59 14.34 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.042 176.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -148.48 163.86 35.92 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.583 ' HA ' ' HA ' ' A' ' 70' ' ' THR . 82.6 mt-30 -86.22 134.24 33.79 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 121.019 0.438 . . . . 0.0 110.423 -178.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.616 HG12 ' HA ' ' A' ' 44' ' ' PRO . 31.6 m -131.38 169.65 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.081 -176.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.507 HG22 ' HG2' ' A' ' 68' ' ' GLN . 26.0 t -104.18 117.71 50.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.503 175.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.597 HG21 HD11 ' A' ' 63' ' ' LEU . 40.9 t -68.48 100.07 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 171.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.3 m -77.26 -54.76 6.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.053 -170.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -173.9 163.98 4.16 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -177.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -95.57 140.48 30.34 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 176.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -145.21 152.82 40.58 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.921 0.391 . . . . 0.0 110.678 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -112.4 102.4 10.53 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 176.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.1 mttm . . . . . 0 C--N 1.326 -0.43 0 CA-C-O 121.201 0.524 . . . . 0.0 111.411 -173.363 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.477 HH21 ' CD ' ' A' ' 39' ' ' GLU . 14.1 ptm180 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 121.102 0.477 . . . . 0.0 112.131 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -109.27 111.06 22.43 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 172.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.74 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 37.0 mt-10 -104.48 146.45 28.85 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.55 138.52 52.48 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 120.953 0.406 . . . . 0.0 110.608 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.8 m -94.62 117.57 30.34 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.223 178.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -102.87 119.26 38.53 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.818 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -103.5 106.49 52.16 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.052 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.616 ' HA ' HG12 ' A' ' 9' ' ' VAL . 43.4 Cg_exo -57.21 132.3 50.33 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.762 2.308 . . . . 0.0 112.047 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.7 mt -57.52 -55.8 30.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.331 -176.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -101.57 92.14 4.75 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.742 0.306 . . . . 0.0 111.449 -175.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.47 81.4 0.1 Allowed Glycine 0 N--CA 1.452 -0.261 0 CA-C-N 115.815 -0.63 . . . . 0.0 113.278 175.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.53 ' HA3' ' HB2' ' A' ' 44' ' ' PRO . . . -160.9 144.05 9.53 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.582 179.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.7 tp -90.19 157.26 17.8 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 177.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.43 120.6 10.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.009 0.433 . . . . 0.0 111.93 -177.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -101.47 130.13 47.66 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 170.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.433 HG22 ' HB3' ' A' ' 39' ' ' GLU . 13.3 m -107.31 128.57 54.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.783 0.325 . . . . 0.0 110.976 -175.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -122.92 136.67 54.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.594 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.74 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 77.0 ttt180 -74.11 118.34 16.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.846 178.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 78.7 mt -111.05 152.18 27.19 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.886 0.374 . . . . 0.0 111.394 -175.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -92.5 169.49 10.5 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 171.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.04 -43.62 78.03 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -177.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -60.78 -39.39 88.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.955 0.407 . . . . 0.0 110.812 -177.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -75.02 -28.97 60.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.691 -176.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -80.8 -33.57 34.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.67 178.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -64.48 -33.28 75.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.92 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.86 -3.33 59.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.046 0.45 . . . . 0.0 110.762 177.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.597 HD11 HG21 ' A' ' 11' ' ' VAL . 33.6 tp -103.05 142.78 33.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.378 -176.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.561 ' HB ' ' HB2' ' A' ' 67' ' ' ASP . 89.3 m -123.28 135.07 54.05 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.313 177.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 39.1 t -74.12 122.59 27.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.056 0.455 . . . . 0.0 110.144 177.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.02 -5.61 56.32 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 -174.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.561 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 21.5 t70 -76.64 94.23 3.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.31 0.576 . . . . 0.0 110.141 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.507 ' HG2' HG22 ' A' ' 10' ' ' VAL . 96.6 mt-30 -70.44 115.36 9.53 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.724 173.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.44 175.78 38.01 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.177 -176.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.583 ' HA ' ' HA ' ' A' ' 8' ' ' GLN . 11.5 m -78.79 135.62 37.14 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.095 0.474 . . . . 0.0 111.466 -173.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.459 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 58.0 tp -117.47 134.39 54.9 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.753 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.407 ' O ' ' HB ' ' A' ' 79' ' ' VAL . 40.6 t -122.42 122.53 39.2 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.848 -179.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.406 ' HA ' HG23 ' A' ' 79' ' ' VAL . 26.0 p90 -149.04 143.66 26.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.87 0.367 . . . . 0.0 110.439 179.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -122.77 126.23 47.04 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.672 -174.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.1 -114.19 6.53 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.487 -0.863 . . . . 0.0 110.997 -174.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 22.8 p -120.53 13.58 11.76 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.066 0.46 . . . . 0.0 110.622 175.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 77' ' ' ARG . 36.9 ttt-85 -108.36 138.72 44.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.129 0.49 . . . . 0.0 110.856 -176.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -73.57 121.86 21.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.33 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.407 ' HB ' ' O ' ' A' ' 72' ' ' SER . 86.6 t -91.31 -58.06 3.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.523 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -177.54 170.65 43.18 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.583 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -131.3 133.0 44.94 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 47.4 t -128.65 102.6 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.419 -178.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.2 m . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.581 177.764 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 . . . . . 0 N--CA 1.446 -0.64 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.489 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 94.2 mt-30 -116.25 127.71 54.97 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.123 -177.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -143.73 140.79 30.17 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 174.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.55 ' HA ' ' HA ' ' A' ' 70' ' ' THR . 75.8 mt-30 -76.83 130.0 37.03 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.2 m -133.33 177.67 6.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.672 -175.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.53 HG22 ' HG2' ' A' ' 68' ' ' GLN . 25.4 t -117.25 132.44 67.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.553 176.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.4 t -78.6 100.59 3.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 174.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.498 ' OG ' ' HB2' ' A' ' 43' ' ' LYS . 6.9 m -72.62 -65.72 0.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -168.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.492 ' HB3' HH11 ' A' ' 15' ' ' ARG . 17.8 t-20 -146.35 153.14 40.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.959 0.409 . . . . 0.0 110.739 -171.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.542 ' HD3' ' CZ ' ' A' ' 60' ' ' TYR . 18.7 ttpp -112.05 123.45 50.3 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.8 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.492 HH11 ' HB3' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -138.68 179.7 6.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.162 0.506 . . . . 0.0 110.354 176.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -131.87 105.28 7.35 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 170.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.455 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 62.1 mmtt . . . . . 0 C--N 1.322 -0.608 0 CA-C-O 121.012 0.434 . . . . 0.0 110.708 -175.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.9 mtm-85 . . . . . 0 CA--C 1.514 -0.436 0 CA-C-O 121.115 0.483 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.512 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 16.7 m-85 -115.24 101.81 9.29 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 173.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -103.37 123.38 46.72 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.165 -176.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.47 137.01 53.47 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.259 0.552 . . . . 0.0 111.474 -169.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.439 ' HA ' ' HA ' ' A' ' 52' ' ' THR . 15.7 m -95.56 132.72 40.38 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.979 177.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -102.76 132.63 48.79 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.242 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.502 ' HB3' ' HB ' ' A' ' 10' ' ' VAL . 55.0 tttp -95.32 111.63 55.82 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.957 -176.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.69 124.69 11.79 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.81 2.34 . . . . 0.0 112.066 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.3 mt -78.71 -12.02 60.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.054 0.454 . . . . 0.0 110.738 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -125.03 96.92 5.04 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 175.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.67 -140.18 15.65 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.708 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -155.39 -161.01 10.29 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.021 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 54.6 tp 64.67 98.54 0.04 OUTLIER 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.437 0.636 . . . . 0.0 111.236 -177.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -68.21 128.44 36.57 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.407 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -90.8 115.25 27.72 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.36 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 41' ' ' SER . 42.8 m -95.41 115.79 27.91 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.875 0.369 . . . . 0.0 110.274 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -113.34 137.6 51.27 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.967 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 51.8 mtt-85 -78.99 129.83 34.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.806 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' A' ' 38' ' ' TYR . 95.4 mt -122.29 141.62 51.33 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.174 0.511 . . . . 0.0 110.71 -178.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -80.95 171.8 14.54 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.3 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.437 ' O ' ' HD2' ' A' ' 61' ' ' HIS . . . -54.75 -60.96 2.65 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -174.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -60.53 -23.06 64.28 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -177.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -72.65 -48.2 41.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.736 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.542 ' CZ ' ' HD3' ' A' ' 14' ' ' LYS . 88.6 t80 -64.19 -25.7 68.19 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.094 -179.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.437 ' HD2' ' O ' ' A' ' 57' ' ' ALA . 7.4 m-70 -53.42 -30.33 39.79 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.582 0.229 . . . . 0.0 111.441 177.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.82 3.56 52.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 0.0 111.406 -178.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -106.62 135.64 47.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.485 ' HB ' ' HB2' ' A' ' 67' ' ' ASP . 22.1 m -123.26 121.74 36.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.138 178.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.6 t -67.62 125.32 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.931 0.396 . . . . 0.0 110.683 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.16 -19.63 53.73 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.839 -0.618 . . . . 0.0 112.07 -176.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.485 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 19.8 t70 -75.81 98.76 4.24 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 122.636 -0.332 . . . . 0.0 110.279 -176.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.53 ' HG2' HG22 ' A' ' 10' ' ' VAL . 92.2 mt-30 -54.77 127.19 27.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.343 171.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.48 176.06 38.02 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.702 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.55 ' HA ' ' HA ' ' A' ' 8' ' ' GLN . 12.6 m -89.28 144.37 26.14 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.894 0.378 . . . . 0.0 110.547 -175.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.489 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 45.3 tp -117.33 118.99 33.78 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -178.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.3 m -101.55 108.33 19.87 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.813 178.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -133.02 157.85 44.2 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.589 -178.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.404 ' HG3' HG21 ' A' ' 79' ' ' VAL . 99.3 mttt -124.54 110.07 14.01 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.36 -114.47 6.53 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.312 -174.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 25.2 p -109.05 8.06 26.01 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.973 0.416 . . . . 0.0 111.191 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -107.75 124.34 49.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.135 0.493 . . . . 0.0 111.54 -174.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -65.73 124.21 21.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.32 175.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.404 HG21 ' HG3' ' A' ' 74' ' ' LYS . 59.1 t -99.71 -62.51 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.18 177.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -160.56 154.01 24.98 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.512 -0.852 . . . . 0.0 112.699 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -102.42 111.98 24.51 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 177.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 50.8 t -103.8 103.83 15.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.173 0.511 . . . . 0.0 110.73 -175.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 p . . . . . 0 C--N 1.318 -0.773 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.884 175.786 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 . . . . . 0 N--CA 1.446 -0.635 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.49 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 40.8 mt-30 -101.57 109.08 20.82 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 174.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -134.45 137.69 44.17 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.078 -174.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.476 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 78.1 mt-30 -76.35 107.58 8.71 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 173.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 22.8 m -115.22 165.67 10.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.417 -174.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.513 HG22 ' HG2' ' A' ' 68' ' ' GLN . 23.0 t -101.7 119.13 49.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.811 175.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.491 HG21 HD11 ' A' ' 63' ' ' LEU . 38.4 t -66.29 101.23 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 171.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.6 t -87.54 -63.51 1.29 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.191 -167.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -149.59 161.56 41.93 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -173.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.631 ' HD2' ' HD1' ' A' ' 38' ' ' TYR . 7.0 ttpm? -96.4 138.58 33.78 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.066 0.46 . . . . 0.0 110.028 177.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.441 ' HA ' ' NE ' ' A' ' 15' ' ' ARG . 2.3 mmp_? -122.25 103.16 8.57 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.825 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -88.68 100.24 12.96 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.8 mttp . . . . . 0 C--N 1.324 -0.507 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.187 173.68 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 69.1 mtm-85 . . . . . 0 N--CA 1.45 -0.467 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.631 ' HD1' ' HD2' ' A' ' 14' ' ' LYS . 77.2 m-85 -77.66 106.45 9.47 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.006 -173.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.798 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 42.5 mt-10 -103.26 154.51 19.27 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.69 142.31 47.79 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.571 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.563 ' HB3' ' HB3' ' A' ' 50' ' ' GLU . 24.7 m -94.0 119.98 33.62 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.764 175.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -102.75 112.68 25.58 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.196 0.522 . . . . 0.0 109.738 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.446 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 87.3 tttt -95.19 115.28 65.27 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.258 -175.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 18.3 Cg_exo -66.66 136.07 41.03 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.882 2.388 . . . . 0.0 112.255 -178.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.3 mt -66.72 -13.48 61.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.453 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -92.87 20.19 6.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.913 0.387 . . . . 0.0 110.656 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.23 87.59 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.367 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -150.65 177.49 28.67 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.225 -177.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.431 HD12 ' N ' ' A' ' 49' ' ' LEU . 6.1 mp -71.62 141.19 49.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.854 0.359 . . . . 0.0 110.573 -178.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.563 ' HB3' ' HB3' ' A' ' 41' ' ' SER . 41.3 mt-10 -72.36 115.57 11.77 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.409 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -82.3 139.85 33.92 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.488 HG22 ' HB3' ' A' ' 39' ' ' GLU . 8.9 m -113.33 113.99 26.02 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.539 -175.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -116.19 140.94 48.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.897 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.798 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 78.2 mtt85 -73.76 140.92 46.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.333 -178.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.2 mt -141.72 166.07 25.75 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.227 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -102.38 167.05 10.21 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.664 174.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.16 -40.39 73.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.868 0.366 . . . . 0.0 111.199 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -61.41 -49.34 77.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.709 177.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -65.25 -37.93 88.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.018 -179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.602 ' CZ ' ' HD3' ' A' ' 14' ' ' LYS . 70.5 t80 -66.36 -32.44 73.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.713 -178.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -95.15 -6.83 40.9 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.39 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.36 -8.0 57.12 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 167.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.491 HD11 HG21 ' A' ' 11' ' ' VAL . 55.6 tp -109.9 149.36 30.0 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 114.11 -1.405 . . . . 0.0 108.998 177.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.551 ' HB ' ' HB2' ' A' ' 67' ' ' ASP . 20.2 m -123.44 126.91 47.63 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.333 178.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 51.6 t -65.83 116.58 5.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.27 -15.31 30.38 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.473 -174.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.551 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 27.6 t0 -75.51 93.04 2.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.467 0.651 . . . . 0.0 109.888 178.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.513 ' HG2' HG22 ' A' ' 10' ' ' VAL . 81.7 mt-30 -76.98 119.41 20.67 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.072 178.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.476 ' O ' ' HA ' ' A' ' 8' ' ' GLN . . . -161.42 -171.36 27.35 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.032 -177.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.49 ' HB ' ' HB ' ' A' ' 82' ' ' VAL . 25.1 m -75.58 129.8 37.79 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.095 0.474 . . . . 0.0 111.339 -175.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.49 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 53.6 tp -117.28 127.33 53.97 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 174.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.452 ' O ' ' HB ' ' A' ' 79' ' ' VAL . 22.3 m -117.59 117.9 30.68 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.204 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.414 ' HA ' HG23 ' A' ' 79' ' ' VAL . 25.9 p90 -144.07 135.28 25.56 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.186 0.517 . . . . 0.0 110.259 179.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -102.52 107.46 18.43 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.765 -174.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.75 -114.51 4.41 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.231 -0.985 . . . . 0.0 110.914 -174.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.7 m -117.08 15.79 15.03 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.47 0.653 . . . . 0.0 109.747 175.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 -105.74 125.8 51.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.625 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -68.78 123.53 21.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.588 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.452 ' HB ' ' O ' ' A' ' 72' ' ' SER . 97.8 t -96.27 -59.1 3.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.8 0.333 . . . . 0.0 110.131 177.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -177.13 159.54 25.93 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.553 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -110.7 131.8 54.74 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.49 ' HB ' ' HB ' ' A' ' 70' ' ' THR . 42.7 t -118.22 98.01 6.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.407 -177.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.9 m . . . . . 0 C--N 1.323 -0.571 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.685 177.857 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 . . . . . 0 N--CA 1.447 -0.597 0 CA-C-O 121.313 0.578 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.554 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 97.0 mt-30 -112.35 109.99 19.94 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.335 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.509 ' HD3' ' N ' ' A' ' 8' ' ' GLN . 6.4 tmtm? -126.73 133.82 50.8 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -178.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.509 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 90.8 mt-30 -79.33 123.25 27.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.126 0.488 . . . . 0.0 110.541 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.493 HG12 ' HA ' ' A' ' 44' ' ' PRO . 15.4 m -133.91 171.04 18.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.166 -176.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.577 HG22 ' HG2' ' A' ' 68' ' ' GLN . 3.1 t -103.65 137.39 32.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.583 176.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.404 ' HB ' ' HA ' ' A' ' 65' ' ' VAL . 42.5 t -87.98 100.3 10.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 173.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.3 m -73.85 -61.71 1.75 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.669 -174.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -165.54 174.13 10.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.432 -176.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -93.98 160.74 14.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.269 176.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -151.87 143.32 23.45 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.18 174.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -110.77 123.15 49.51 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 173.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.454 ' HB2' ' NH2' ' A' ' 37' ' ' ARG . 43.5 mttp . . . . . 0 C--N 1.324 -0.503 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 173.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.454 ' NH2' ' HB2' ' A' ' 17' ' ' LYS . 3.3 tmm_? . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -105.27 124.68 49.95 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.226 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.799 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 41.8 mt-10 -105.68 163.9 12.33 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.5 ' O ' ' HA ' ' A' ' 52' ' ' THR . . . -123.91 143.62 50.27 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.657 0.265 . . . . 0.0 111.099 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.5 m -94.65 119.54 33.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.159 177.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -102.98 117.33 34.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.381 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.454 ' HB3' ' HB ' ' A' ' 10' ' ' VAL . 87.0 tttt -95.38 118.79 66.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.684 -175.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.493 ' HA ' HG12 ' A' ' 9' ' ' VAL . 21.3 Cg_exo -66.1 129.31 21.47 Favored 'Trans proline' 0 CA--C 1.53 0.285 0 C-N-CA 122.972 2.448 . . . . 0.0 112.506 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.13 -31.67 72.87 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.339 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -95.59 18.61 12.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.439 0.638 . . . . 0.0 110.47 -177.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.68 149.67 15.05 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.037 -177.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.32 179.96 25.62 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.3 mt -83.13 134.87 34.97 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.934 0.397 . . . . 0.0 110.396 177.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -68.32 114.54 6.87 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.762 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -82.49 128.92 34.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.226 -178.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 28.3 m -103.84 104.03 13.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.737 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -100.02 144.77 28.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.799 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 0.9 OUTLIER -74.42 134.77 42.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.029 -177.378 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.8 mt -132.54 179.73 5.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.267 178.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.453 ' H ' ' HB3' ' A' ' 59' ' ' GLN . 83.4 mt-30 -119.27 178.83 4.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.092 173.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.61 -51.17 69.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.488 -177.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -69.0 -26.79 65.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.246 -179.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.453 ' HB3' ' H ' ' A' ' 56' ' ' GLN . 23.8 tp60 -73.09 -45.27 58.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.079 178.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -66.93 -22.93 65.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.1 0.476 . . . . 0.0 110.148 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -65.78 -19.86 66.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.532 176.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -102.91 -0.65 30.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.031 0.443 . . . . 0.0 110.755 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.417 HD23 ' O ' ' A' ' 59' ' ' GLN . 2.9 mm? -88.69 107.27 18.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.568 -179.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.8 m -86.2 100.48 12.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.109 0.48 . . . . 0.0 110.515 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.404 ' HA ' ' HB ' ' A' ' 11' ' ' VAL . 53.3 t -60.96 135.96 25.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.283 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.45 -32.13 4.58 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.299 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -78.83 97.26 5.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.282 0.563 . . . . 0.0 110.673 -174.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.577 ' HG2' HG22 ' A' ' 10' ' ' VAL . 60.7 mt-30 -47.68 131.89 14.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.554 -1.203 . . . . 0.0 110.433 173.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 1.106 ' HA3' ' HA ' ' A' ' 83' ' ' SER . . . -161.42 -172.93 29.43 Favored Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 120.23 -0.986 . . . . 0.0 112.599 -177.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.3 m -91.11 134.28 34.66 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.977 0.418 . . . . 0.0 111.297 -173.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.554 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 60.3 tp -117.38 122.14 43.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.871 179.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.0 m -107.79 112.59 25.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.455 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -142.16 164.66 29.57 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.644 177.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -134.82 98.57 4.07 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.49 -114.28 4.08 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.282 -175.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.3 p -104.6 0.16 28.29 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.909 0.385 . . . . 0.0 111.096 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 77' ' ' ARG . 32.2 ttt180 -92.71 118.54 31.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.244 -177.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -72.44 123.69 23.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.597 173.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.6 t -101.67 -50.62 9.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.643 0.259 . . . . 0.0 110.536 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -178.17 147.79 8.18 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.397 178.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -121.09 127.4 51.61 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 177.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 66.9 t -135.13 102.02 3.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.605 -0.516 . . . . 0.0 109.605 178.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 1.106 ' HA ' ' HA3' ' A' ' 69' ' ' GLY . 20.3 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 121.289 0.566 . . . . 0.0 109.906 177.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 . . . . . 0 N--CA 1.448 -0.541 0 CA-C-O 121.118 0.485 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -100.62 123.92 45.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 -178.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.503 ' NZ ' ' HB2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -130.17 134.42 47.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.789 178.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 33.3 tt0 -80.61 113.45 18.81 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.488 HG12 ' HA ' ' A' ' 44' ' ' PRO . 33.8 m -122.18 165.49 17.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.384 -174.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.518 HG22 ' HG2' ' A' ' 68' ' ' GLN . 39.2 t -107.68 119.7 57.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.942 175.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.44 HG12 HG22 ' A' ' 65' ' ' VAL . 31.6 t -76.23 96.42 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 172.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.3 m -66.13 -53.01 43.03 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.35 -175.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -166.85 176.98 6.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.185 0.517 . . . . 0.0 111.437 -175.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.534 ' NZ ' ' HB3' ' A' ' 14' ' ' LYS . 5.2 ttpm? -100.89 111.28 23.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.666 175.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.585 ' HB2' HG21 ' A' ' 52' ' ' THR . 66.3 mtt180 -104.14 142.27 34.79 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.012 0.434 . . . . 0.0 110.342 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -120.64 110.56 16.56 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.896 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.41 ' HG3' ' OE1' ' A' ' 39' ' ' GLU . 34.0 mttp . . . . . 0 C--N 1.325 -0.491 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.245 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.856 ' HD3' ' HD2' ' A' ' 54' ' ' ARG . 94.8 mtt180 . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 120.795 0.331 . . . . 0.0 110.512 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.427 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 48.9 m-85 -91.97 128.18 37.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.334 -177.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.826 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 46.7 mt-10 -111.78 159.38 18.34 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.613 ' O ' ' HA ' ' A' ' 52' ' ' THR . . . -120.34 138.89 53.47 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.643 0.258 . . . . 0.0 110.991 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.2 m -94.3 113.65 25.59 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.733 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -102.84 108.65 19.95 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.863 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.591 ' HB2' ' HG2' ' A' ' 50' ' ' GLU . 88.7 tttt -95.29 109.81 47.05 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.672 178.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.488 ' HA ' HG12 ' A' ' 9' ' ' VAL . 59.1 Cg_endo -73.53 139.73 28.85 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.414 2.076 . . . . 0.0 112.113 -178.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.3 mt -71.37 -30.31 65.99 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.37 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -142.72 82.97 1.79 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.786 173.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -162.59 -44.09 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.233 -0.984 . . . . 0.0 113.012 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.38 -140.58 8.22 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.329 -177.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.409 ' HG ' ' N ' ' A' ' 50' ' ' GLU . 36.7 tp -78.33 164.14 25.1 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.091 0.472 . . . . 0.0 111.542 -174.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.591 ' HG2' ' HB2' ' A' ' 43' ' ' LYS . 34.0 mt-10 -63.46 120.39 11.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.315 177.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -100.39 111.36 23.62 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.902 0.382 . . . . 0.0 110.411 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.613 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 27.2 m -92.88 106.36 18.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.751 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -104.64 152.51 22.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.787 -178.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.856 ' HD2' ' HD3' ' A' ' 37' ' ' ARG . 69.2 ttp85 -75.86 134.25 40.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.742 -175.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 76.6 mt -125.36 169.04 12.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.67 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -86.34 170.0 12.43 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 171.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.86 -36.56 72.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.45 0.643 . . . . 0.0 109.324 175.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -71.96 -35.71 69.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.435 177.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -69.07 -33.03 72.91 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.388 176.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.506 ' CZ ' ' HD3' ' A' ' 14' ' ' LYS . 43.5 t80 -63.54 -35.46 80.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.165 175.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -65.63 -23.66 66.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.35 175.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -99.65 12.27 37.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.11 0.481 . . . . 0.0 110.952 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.0 tp -102.98 146.58 28.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.105 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.516 ' HB ' ' HB3' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -123.21 98.28 5.8 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.925 0.393 . . . . 0.0 111.172 179.787 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.44 HG22 HG12 ' A' ' 11' ' ' VAL . 27.3 t -68.9 128.9 33.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.948 0.404 . . . . 0.0 110.845 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.94 -20.87 42.86 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.115 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.516 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 27.5 t70 -81.79 90.96 6.42 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -178.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.518 ' HG2' HG22 ' A' ' 10' ' ' VAL . 72.2 mt-30 -55.78 124.11 16.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.859 177.076 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 8' ' ' GLN . . . -161.28 -170.86 26.52 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.291 -0.957 . . . . 0.0 112.395 -174.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.5 m -91.13 134.91 34.15 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.248 0.547 . . . . 0.0 111.559 -171.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.4 tp -117.36 117.86 30.65 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.846 178.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.7 p -94.72 112.0 23.76 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.959 176.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.436 ' HE2' ' HB3' ' A' ' 7' ' ' LYS . 39.2 p90 -135.96 151.97 50.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.198 0.523 . . . . 0.0 111.111 -177.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -118.78 93.97 4.29 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 174.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.24 -114.76 3.91 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -172.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 29.7 p -111.37 7.99 21.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.275 0.559 . . . . 0.0 110.335 174.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 77' ' ' ARG . 32.6 ttm180 -88.49 117.97 27.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.935 -179.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -69.43 112.63 6.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.087 -0.961 . . . . 0.0 110.117 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.7 t -91.94 -39.32 11.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.327 0.584 . . . . 0.0 109.673 177.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 174.75 149.64 7.3 Favored Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.88 177.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -108.73 118.21 36.19 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 176.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 41.8 t -101.89 96.21 4.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.792 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.478 ' HB3' ' OD2' ' A' ' 67' ' ' ASP . 11.3 m . . . . . 0 C--N 1.322 -0.614 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.156 176.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 . . . . . 0 N--CA 1.445 -0.698 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -97.95 110.37 22.95 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.161 177.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -129.39 135.07 48.24 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.45 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 72.4 mt-30 -76.01 130.34 38.25 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.172 0.511 . . . . 0.0 110.247 176.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.4 m -126.66 165.45 24.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.645 -178.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.485 HG22 ' HG2' ' A' ' 68' ' ' GLN . 41.0 t -101.54 122.17 53.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.18 177.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.0 t -72.03 96.46 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 172.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.673 ' HB3' ' HB2' ' A' ' 41' ' ' SER . 29.6 t -71.99 -56.25 5.99 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.636 -172.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -171.75 -176.36 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 -177.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -100.21 141.33 33.2 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 174.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -125.01 169.35 12.2 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -146.93 104.85 3.74 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.283 -176.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.5 mttp . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.094 173.386 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.2 mtt85 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -65.47 148.31 51.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.657 -175.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.775 ' HG2' ' HG2' ' A' ' 54' ' ' ARG . 45.5 mt-10 -103.57 155.42 18.55 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.084 -178.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.62 139.85 51.54 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.836 174.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.673 ' HB2' ' HB3' ' A' ' 12' ' ' SER . 4.1 m -94.19 115.78 28.1 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.488 -179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -102.7 106.36 16.98 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.496 ' HG3' ' HG2' ' A' ' 50' ' ' GLU . 46.7 tttp -95.47 115.57 65.58 Favored Pre-proline 0 C--N 1.318 -0.763 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.402 -174.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -63.64 132.29 34.74 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.521 2.147 . . . . 0.0 111.578 178.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 44.3 mt -60.9 -60.22 4.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.503 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -120.84 81.17 1.73 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 174.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.76 -119.43 0.78 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.736 -176.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -150.67 -136.31 2.51 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.379 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.1 tp -49.19 136.15 15.64 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 122.999 0.519 . . . . 0.0 111.75 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.496 ' HG2' ' HG3' ' A' ' 43' ' ' LYS . 27.2 mt-10 -72.21 130.05 39.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.361 -178.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -86.91 117.89 25.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.885 0.374 . . . . 0.0 110.094 -179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.493 HG22 ' HB3' ' A' ' 39' ' ' GLU . 18.2 m -105.55 108.93 20.71 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.475 179.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -108.81 144.21 36.98 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.159 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.775 ' HG2' ' HG2' ' A' ' 39' ' ' GLU . 27.0 mtm180 -78.03 140.5 39.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.144 179.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.4 mt -123.31 177.82 5.42 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.08 -176.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.54 ' HB2' ' HG2' ' A' ' 59' ' ' GLN . 80.3 mt-30 -107.52 174.37 5.91 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.193 175.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.34 -48.13 83.09 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.96 0.409 . . . . 0.0 110.662 177.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -65.55 -30.86 71.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.032 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.54 ' HG2' ' HB2' ' A' ' 56' ' ' GLN . 80.0 mm-40 -70.24 -44.55 68.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.425 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -71.58 -19.56 62.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.22 0.533 . . . . 0.0 110.32 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -70.05 -21.96 63.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.194 175.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -101.0 -40.22 7.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.543 177.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.24 97.5 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.212 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 44.3 m -88.71 122.99 32.71 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.426 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.35 128.98 22.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.122 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.97 -18.26 57.05 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.141 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -77.88 94.73 4.6 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.323 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.485 ' HG2' HG22 ' A' ' 10' ' ' VAL . 67.5 mt-30 -65.14 128.52 36.14 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.323 174.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.45 ' O ' ' HA ' ' A' ' 8' ' ' GLN . . . -161.29 176.46 37.84 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.163 -1.018 . . . . 0.0 112.684 -175.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.7 m -77.22 133.54 38.86 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.116 0.484 . . . . 0.0 111.681 -172.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.1 tp -117.36 119.26 34.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.004 177.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.444 ' O ' ' HB ' ' A' ' 79' ' ' VAL . 27.3 m -98.67 109.42 22.18 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.562 178.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -140.55 155.16 46.69 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.916 0.389 . . . . 0.0 110.691 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -125.38 95.53 4.5 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.643 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.99 -114.22 5.96 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.38 -0.914 . . . . 0.0 111.297 -174.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.7 p -96.08 -6.21 39.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.084 0.469 . . . . 0.0 110.829 176.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -79.94 107.73 12.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.026 -178.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -73.13 114.35 11.2 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 173.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.444 ' HB ' ' O ' ' A' ' 72' ' ' SER . 59.9 t -94.2 -48.79 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.655 -178.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 173.26 148.24 6.27 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.184 -1.008 . . . . 0.0 113.171 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -101.17 129.18 47.04 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 175.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 38.3 t -126.61 114.34 37.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.924 0.392 . . . . 0.0 110.916 -175.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.9 t . . . . . 0 C--N 1.321 -0.64 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 174.917 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 . . . . . 0 N--CA 1.443 -0.812 0 CA-C-O 121.161 0.505 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.684 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 89.7 mt-30 -105.78 120.27 41.27 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.372 174.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -139.92 158.42 44.1 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.115 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.486 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 87.9 mt-30 -88.12 112.55 22.81 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 173.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 m -121.29 176.01 4.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.461 -175.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.3 t -114.04 129.95 69.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.094 178.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.6 t -84.17 98.08 5.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 173.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 m -72.26 -57.64 4.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.041 -173.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -162.34 163.23 28.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.046 -173.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.0 pttt -95.99 158.02 15.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.811 0.339 . . . . 0.0 110.628 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.6 mtt-85 -142.32 170.09 16.36 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 175.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.437 ' HG3' ' HB2' ' A' ' 37' ' ' ARG . 37.9 tt0 -146.87 99.17 3.15 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 169.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt . . . . . 0 C--N 1.32 -0.691 0 CA-C-O 120.979 0.419 . . . . 0.0 110.313 174.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.437 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 75.6 mtt180 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -136.95 119.39 15.82 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.904 0.383 . . . . 0.0 110.25 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.83 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 35.2 mt-10 -103.48 150.47 23.85 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.01 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.57 137.2 53.4 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.769 0.319 . . . . 0.0 110.395 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.3 m -94.36 114.79 26.89 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.839 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -103.36 112.64 25.63 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.341 0.591 . . . . 0.0 109.807 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 85.8 tttt -98.65 128.52 32.5 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.383 -175.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 9.2 Cg_exo -72.46 145.09 41.9 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.088 2.526 . . . . 0.0 111.982 175.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.9 mt -94.32 -10.46 32.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.95 -178.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -112.37 28.9 8.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.033 0.444 . . . . 0.0 110.706 -175.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.58 133.19 4.92 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.779 -177.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.3 167.88 14.37 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.095 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.5 mt -86.06 150.48 24.42 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 177.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -69.43 125.34 26.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.405 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -93.53 114.21 26.51 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 177.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 25.0 m -99.89 109.55 21.93 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.979 0.419 . . . . 0.0 110.244 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -104.28 135.41 45.8 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.493 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.83 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 0.8 OUTLIER -74.75 131.63 40.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.717 178.888 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.2 mt -121.09 157.92 29.03 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.096 -176.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -83.82 155.74 22.83 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.372 -0.831 . . . . 0.0 108.873 174.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.1 -35.74 67.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.019 0.438 . . . . 0.0 111.443 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -70.62 -19.45 62.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.143 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -89.28 -46.37 8.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.924 178.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.417 ' HA ' ' HB2' ' A' ' 63' ' ' LEU . 69.5 t80 -66.25 -18.57 65.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.719 -178.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -61.88 -22.67 65.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.037 177.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -107.65 -2.41 20.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.213 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.417 ' HB2' ' HA ' ' A' ' 60' ' ' TYR . 2.0 mm? -78.36 133.68 37.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.1 0.476 . . . . 0.0 110.951 -176.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.443 ' HB ' ' HB2' ' A' ' 67' ' ' ASP . 15.1 m -123.09 116.59 23.72 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.749 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.64 127.52 26.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.972 0.415 . . . . 0.0 110.366 176.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.91 -15.64 62.66 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.262 -177.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.443 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 22.5 t70 -75.65 96.78 3.64 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.148 0.499 . . . . 0.0 110.386 -178.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -64.59 122.18 16.21 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.255 172.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.486 ' O ' ' HA ' ' A' ' 8' ' ' GLN . . . -161.29 -170.8 26.45 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.334 -173.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.9 m -92.42 131.83 37.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.131 0.491 . . . . 0.0 111.592 -171.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.684 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 64.4 tp -117.37 125.67 51.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.164 178.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.5 m -108.67 104.85 14.23 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 176.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -134.24 144.29 48.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.027 0.442 . . . . 0.0 110.145 176.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -110.64 102.07 10.67 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.647 -175.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.45 -114.26 5.06 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.426 -0.892 . . . . 0.0 111.313 -176.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.5 p -109.56 11.13 24.95 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.253 0.549 . . . . 0.0 110.577 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -108.31 111.62 23.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.204 -176.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -62.97 130.79 46.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.394 178.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 88.3 t -106.64 -57.44 4.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -168.88 142.67 7.53 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.395 -0.907 . . . . 0.0 112.802 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -112.74 136.81 51.91 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 176.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 48.7 t -122.3 104.49 14.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.635 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.0 m . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 169.933 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 . . . . . 0 N--CA 1.449 -0.503 0 CA-C-O 120.906 0.384 . . . . 0.0 110.054 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 97.1 mt-30 -106.85 113.36 26.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.643 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -116.53 137.37 52.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.16 176.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.466 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 85.1 mt-30 -89.38 103.15 15.8 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 171.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.8 m -108.56 167.51 3.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.964 -171.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.76 ' HB ' ' HB3' ' A' ' 43' ' ' LYS . 46.4 t -101.66 120.34 51.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.24 178.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 38.9 t -73.33 93.96 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 169.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.3 p -71.09 -45.92 62.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.936 -170.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -178.09 160.3 1.39 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.77 0.319 . . . . 0.0 110.275 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.424 ' HD3' ' OH ' ' A' ' 60' ' ' TYR . 24.0 pttm -70.91 146.82 49.32 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 170.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.487 ' O ' ' HB2' ' A' ' 39' ' ' GLU . 26.8 ttm180 -158.11 155.1 28.58 Favored 'General case' 0 C--N 1.312 -1.06 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.105 -178.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -142.84 112.37 6.8 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 173.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp . . . . . 0 C--N 1.323 -0.585 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 172.054 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? . . . . . 0 CA--C 1.519 -0.215 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -106.94 104.15 13.76 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.91 0.386 . . . . 0.0 110.289 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.885 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 32.1 mt-10 -103.66 153.63 20.42 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.52 135.31 54.47 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.037 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.1 t -97.38 122.43 40.41 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.445 -177.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -103.0 124.45 48.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.22 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.76 ' HB3' ' HB ' ' A' ' 10' ' ' VAL . 28.0 tptp -95.02 115.6 65.55 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.039 -176.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -75.33 139.43 23.45 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.623 2.215 . . . . 0.0 111.46 174.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.1 mt -92.41 -12.83 31.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.083 0.468 . . . . 0.0 110.978 -177.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -93.87 25.11 3.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.275 -171.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.75 117.93 0.47 Allowed Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.172 -178.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.33 171.17 17.69 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.493 -0.86 . . . . 0.0 112.376 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.9 mt -85.0 160.12 20.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.729 0.299 . . . . 0.0 110.435 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -65.78 142.86 57.82 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.483 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -100.64 106.76 18.27 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.596 173.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.7 m -93.09 120.72 33.69 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.298 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -113.21 138.15 50.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.809 0.338 . . . . 0.0 111.054 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.885 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 51.4 ttp180 -74.04 127.06 31.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.695 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.4 mt -123.64 161.14 25.65 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.019 0.438 . . . . 0.0 111.056 -178.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -93.96 175.76 6.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.764 173.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.71 -52.8 64.15 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -173.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -66.7 -31.92 72.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.112 -177.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -67.24 -43.89 80.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.95 0.405 . . . . 0.0 109.995 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.424 ' OH ' ' HD3' ' A' ' 14' ' ' LYS . 79.8 t80 -62.91 -28.99 70.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.225 179.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 56.3 m170 -60.34 -29.59 68.99 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.727 0.299 . . . . 0.0 111.151 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.3 -29.0 23.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.959 0.409 . . . . 0.0 110.974 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -72.5 105.37 4.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.356 0.598 . . . . 0.0 111.085 -178.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.9 m -98.97 118.81 36.6 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.443 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.89 131.68 28.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.008 0.432 . . . . 0.0 111.179 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.76 -19.32 49.05 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.188 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -80.43 91.55 5.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.232 0.539 . . . . 0.0 109.943 -177.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -64.71 138.13 58.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.035 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.815 ' HA3' ' HA ' ' A' ' 83' ' ' SER . . . -161.43 -177.93 34.94 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.467 -178.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.9 m -90.57 140.14 30.03 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.01 0.433 . . . . 0.0 110.82 -174.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 66.0 tp -117.34 128.25 54.86 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.182 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.5 t -99.69 100.65 11.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.561 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -132.33 143.11 49.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.165 0.507 . . . . 0.0 110.649 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -136.72 110.62 8.2 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 176.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.24 -114.89 3.91 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.261 -0.971 . . . . 0.0 110.692 -172.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.5 t -126.02 -5.5 6.77 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.914 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 77' ' ' ARG . 22.0 ttt180 -86.21 131.29 34.27 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.203 0.525 . . . . 0.0 111.149 -178.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -68.84 112.82 5.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.873 175.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.0 t -87.13 -52.65 11.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.171 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -171.98 170.61 43.56 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.853 178.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' A' ' 83' ' ' SER . 79.4 t80 -137.07 120.61 17.14 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 45.7 t -124.39 93.59 2.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.619 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.815 ' HA ' ' HA3' ' A' ' 69' ' ' GLY . 8.7 t . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.048 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.515 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 94.9 mt-30 -128.25 126.64 41.3 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.279 -177.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -137.29 146.83 45.16 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.31 171.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 91.3 mt-30 -80.19 121.76 25.99 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 174.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.531 HG21 ' HB3' ' A' ' 42' ' ' PHE . 16.8 m -125.1 164.83 23.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.798 -177.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.573 HG22 ' HG2' ' A' ' 68' ' ' GLN . 26.3 t -101.86 123.76 55.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.496 177.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.2 t -76.07 85.15 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 170.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.2 m -77.09 -52.25 9.62 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -169.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -148.36 157.09 43.26 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.405 -171.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.562 ' HD3' ' OH ' ' A' ' 60' ' ' TYR . 54.6 pttt -93.29 148.71 21.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.53 176.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.48 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 5.9 mmm180 -134.21 167.63 20.34 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.713 0.292 . . . . 0.0 110.885 -175.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -146.72 105.12 3.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.164 177.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt . . . . . 0 C--N 1.321 -0.632 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 169.964 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.1 mtt85 . . . . . 0 N--CA 1.448 -0.568 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -72.98 176.27 5.89 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.529 -177.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.48 ' HB2' ' HB2' ' A' ' 15' ' ' ARG . 53.9 mt-10 -132.34 148.12 52.42 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 174.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.19 128.7 48.76 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.413 ' OG ' ' HG3' ' A' ' 15' ' ' ARG . 54.2 m -94.39 121.21 35.69 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.211 0.529 . . . . 0.0 110.347 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.531 ' HB3' HG21 ' A' ' 9' ' ' VAL . 88.9 m-85 -102.6 116.79 33.3 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.398 -0.819 . . . . 0.0 108.973 177.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.479 ' HA ' ' HG3' ' A' ' 50' ' ' GLU . 86.9 tttt -94.86 119.92 65.32 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.117 -171.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 26.7 Cg_exo -62.66 136.33 57.61 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 123.061 2.507 . . . . 0.0 111.485 176.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.7 mt -72.6 -25.42 61.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.675 -176.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -93.57 16.28 14.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.397 0.617 . . . . 0.0 110.522 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.39 158.56 7.14 Favored Glycine 0 C--N 1.317 -0.483 0 CA-C-N 115.266 -0.879 . . . . 0.0 112.632 -177.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.35 -147.29 17.51 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.478 177.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.7 tp -98.34 121.62 40.5 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 174.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.479 ' HG3' ' HA ' ' A' ' 43' ' ' LYS . 2.2 mp0 -59.43 128.5 37.35 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.446 179.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.47 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 57.1 mttp -82.32 102.92 11.53 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.902 -178.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.447 HG22 ' HB3' ' A' ' 39' ' ' GLU . 19.0 m -98.97 107.46 19.89 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.416 -178.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.47 ' CE2' ' HB3' ' A' ' 51' ' ' LYS . 92.5 m-85 -105.86 134.24 49.3 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.537 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.443 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 35.7 ttp180 -77.45 126.4 30.85 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.927 177.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.1 mt -123.87 162.99 22.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.17 -172.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -84.91 160.2 20.17 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 175.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.07 -47.29 65.24 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -177.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -63.85 -33.54 75.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.93 0.395 . . . . 0.0 111.441 -178.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -76.22 -37.88 57.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.429 -178.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.562 ' OH ' ' HD3' ' A' ' 14' ' ' LYS . 48.4 t80 -67.51 -22.87 65.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.355 176.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -85.73 -19.63 30.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.647 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.6 -52.46 8.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.89 -177.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.5 pp -90.26 142.37 27.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.984 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.3 m -111.71 143.21 42.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.956 0.407 . . . . 0.0 111.699 -171.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.5 t -62.34 132.74 28.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.575 175.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.15 -9.14 76.98 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.945 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -79.69 93.45 5.54 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.209 0.528 . . . . 0.0 110.526 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.573 ' HG2' HG22 ' A' ' 10' ' ' VAL . 81.1 mt-30 -67.24 117.58 9.45 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.434 173.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 8' ' ' GLN . . . -161.31 179.58 36.64 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.275 -0.964 . . . . 0.0 112.937 -175.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.2 m -79.91 136.13 36.59 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.08 0.467 . . . . 0.0 111.505 -172.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.515 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 60.4 tp -117.33 122.6 44.35 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.5 m -103.4 119.57 39.14 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.22 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.497 ' HA ' HG23 ' A' ' 79' ' ' VAL . 39.8 p90 -149.13 162.43 40.0 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.75 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -128.97 101.11 5.92 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.364 176.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.27 -114.03 5.76 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.536 -0.84 . . . . 0.0 111.461 -176.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.2 p -96.16 -7.58 35.44 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.898 0.38 . . . . 0.0 111.356 178.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 38.3 ttt85 -86.67 115.73 24.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.109 0.48 . . . . 0.0 111.883 -173.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -70.24 109.1 4.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.221 -0.899 . . . . 0.0 109.564 173.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.497 HG23 ' HA ' ' A' ' 73' ' ' TYR . 57.6 t -86.96 -45.64 16.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.815 0.341 . . . . 0.0 110.29 -178.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 168.49 148.18 5.64 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.64 177.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -95.54 132.43 40.67 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 48.2 t -116.45 106.28 19.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.4 t . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.98 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 . . . . . 0 N--CA 1.449 -0.475 0 CA-C-O 120.774 0.321 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.476 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 93.4 mt-30 -116.53 109.26 17.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.189 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.7 tttm -134.52 165.04 26.12 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -87.7 116.74 26.04 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.413 HG21 HD22 ' A' ' 71' ' ' LEU . 35.0 m -124.69 164.74 22.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.984 0.421 . . . . 0.0 110.752 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.537 HG22 ' HG2' ' A' ' 68' ' ' GLN . 21.7 t -106.74 122.57 60.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.426 177.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.2 t -74.73 97.51 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 170.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.3 p -78.31 -55.43 5.25 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.459 0.541 . . . . 0.0 112.459 -168.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -157.81 169.07 25.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.128 0.489 . . . . 0.0 111.552 -176.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 39' ' ' GLU . 27.0 ttpp -87.3 147.06 25.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.414 174.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.781 ' HD3' HG21 ' A' ' 52' ' ' THR . 64.6 ttt180 -127.24 161.99 27.26 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -146.8 102.71 3.57 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.866 -175.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.504 ' HG3' ' OE1' ' A' ' 39' ' ' GLU . 60.4 mttp . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.373 176.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 . . . . . 0 N--CA 1.45 -0.444 0 CA-C-O 121.155 0.502 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -110.78 130.05 55.68 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 175.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.59 ' HG2' ' HG2' ' A' ' 54' ' ' ARG . 42.7 mt-10 -103.33 147.47 27.04 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.091 -177.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.56 132.06 56.21 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.3 t -94.75 121.7 36.6 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -102.65 111.71 24.15 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.933 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.457 ' HA ' ' HG2' ' A' ' 50' ' ' GLU . 40.3 tttp -95.18 115.34 65.33 Favored Pre-proline 0 C--N 1.317 -0.835 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.07 -176.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -70.64 141.34 41.41 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.471 2.114 . . . . 0.0 111.745 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.6 mt -72.22 -14.56 61.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.34 0.591 . . . . 0.0 109.805 175.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -93.65 106.88 18.82 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 169.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -38.17 123.4 1.29 Allowed Glycine 0 CA--C 1.518 0.277 0 O-C-N 124.359 1.037 . . . . 0.0 114.275 -175.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.51 -157.79 21.12 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 39.3 mt -88.24 134.34 33.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.159 0.504 . . . . 0.0 111.251 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.457 ' HG2' ' HA ' ' A' ' 43' ' ' LYS . 49.7 mt-10 -69.24 130.42 42.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.735 174.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -97.1 111.74 23.83 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.167 0.508 . . . . 0.0 110.497 -175.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.781 HG21 ' HD3' ' A' ' 15' ' ' ARG . 19.4 m -90.43 120.9 31.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.061 -177.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -113.63 145.37 41.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.252 176.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.59 ' HG2' ' HG2' ' A' ' 39' ' ' GLU . 46.6 mtm105 -87.22 125.09 33.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.129 0.49 . . . . 0.0 111.338 -178.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.6 mt -119.25 161.92 19.58 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.535 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -101.58 179.11 4.44 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 173.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.07 -58.89 5.21 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -176.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -62.64 -29.65 70.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.507 -177.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -77.33 -44.76 28.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.895 -177.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -66.42 -29.32 69.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.173 0.511 . . . . 0.0 110.001 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -66.87 -18.98 65.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.624 176.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -101.39 4.57 41.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.015 0.436 . . . . 0.0 110.773 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -108.8 104.11 13.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.11 0.481 . . . . 0.0 110.487 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 23.5 m -81.03 106.63 13.19 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.94 -178.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 46.4 t -64.21 126.74 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.538 176.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.72 -17.33 57.62 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.811 -176.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -77.92 95.27 4.73 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.325 0.583 . . . . 0.0 110.124 -178.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.537 ' HG2' HG22 ' A' ' 10' ' ' VAL . 53.2 mt-30 -66.51 114.32 5.39 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.198 173.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.22 -170.83 26.4 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 119.957 -1.116 . . . . 0.0 113.038 -171.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.7 m -82.35 129.44 34.87 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.033 0.444 . . . . 0.0 111.464 -170.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.476 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 68.5 tp -117.41 126.25 52.34 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.887 177.224 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.3 m -108.74 122.21 46.67 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.71 177.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.9 p90 -148.0 142.11 26.04 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.999 0.428 . . . . 0.0 110.63 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.426 ' HE3' ' HB2' ' A' ' 74' ' ' LYS . 36.6 ttmt -116.23 105.29 12.4 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 -179.16 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.25 -114.33 4.67 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.37 -0.919 . . . . 0.0 110.967 -174.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.5 p -114.28 13.22 17.83 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.071 0.462 . . . . 0.0 110.544 176.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -102.6 126.45 49.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.181 0.515 . . . . 0.0 111.261 -178.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -70.0 117.58 11.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.4 177.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 99.6 t -91.99 -50.6 12.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.238 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 176.01 150.09 7.88 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.169 178.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -117.5 124.21 48.19 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 178.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 44.3 t -100.23 97.19 5.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.095 -178.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.321 177.566 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 . . . . . 0 N--CA 1.446 -0.658 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.61 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 90.6 mt-30 -102.71 112.2 24.87 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.336 0.589 . . . . 0.0 110.737 -178.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.672 ' HB3' ' HE2' ' A' ' 73' ' ' TYR . 15.8 tppt? -115.01 127.84 55.91 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.335 179.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -76.63 124.88 28.3 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.47 0.653 . . . . 0.0 109.923 176.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.57 HG21 ' HB3' ' A' ' 42' ' ' PHE . 16.1 m -132.13 165.16 32.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.158 -173.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.509 HG22 ' HG2' ' A' ' 68' ' ' GLN . 16.9 t -101.72 126.05 55.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.789 175.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.3 t -73.62 92.25 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.147 -1.056 . . . . 0.0 108.147 169.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.7 p -68.89 -46.88 67.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.938 -169.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -168.21 149.3 5.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.398 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.442 ' HD3' ' CZ ' ' A' ' 60' ' ' TYR . 60.7 pttt -90.83 120.73 32.1 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 173.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.4 mtt-85 -110.28 144.17 39.39 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.68 -173.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -96.03 94.43 7.57 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 172.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt . . . . . 0 C--N 1.323 -0.55 0 CA-C-O 121.004 0.43 . . . . 0.0 111.736 -178.131 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 . . . . . 0 CA--C 1.517 -0.296 0 CA-C-O 120.989 0.423 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.452 ' HB2' ' O ' ' A' ' 55' ' ' LEU . 25.0 m-85 -82.64 118.74 23.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.414 -177.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.476 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 21.4 mt-10 -122.3 144.81 48.77 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.209 172.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.48 132.96 56.22 Favored 'General case' 0 C--N 1.316 -0.887 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.391 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.635 ' HB3' ' HB3' ' A' ' 50' ' ' GLU . 48.8 m -94.57 124.22 38.47 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.126 178.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.57 ' HB3' HG21 ' A' ' 9' ' ' VAL . 92.0 m-85 -102.85 112.39 25.18 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.83 178.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 87.7 tttt -99.51 117.55 63.61 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.372 -175.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.536 ' HA ' HG12 ' A' ' 9' ' ' VAL . 26.5 Cg_exo -62.35 136.22 58.29 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.847 2.364 . . . . 0.0 112.555 -177.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.31 -33.86 76.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.872 -178.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -93.68 18.87 9.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.099 0.476 . . . . 0.0 111.2 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.68 148.29 21.81 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.639 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.401 ' HA3' ' HG2' ' A' ' 44' ' ' PRO . . . 150.08 167.12 14.0 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.982 -0.627 . . . . 0.0 112.079 179.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.5 tp -67.12 140.33 57.55 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.599 0.238 . . . . 0.0 110.614 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.635 ' HB3' ' HB3' ' A' ' 41' ' ' SER . 45.0 mt-10 -68.51 113.56 6.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.123 0.487 . . . . 0.0 110.229 176.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 44.8 mttp -83.81 110.75 18.6 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.42 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.476 ' CG2' ' HB3' ' A' ' 39' ' ' GLU . 36.7 m -97.82 119.31 36.19 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.245 -178.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -123.85 159.83 28.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.993 -178.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.8 mmt85 -77.09 126.99 31.87 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.346 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.452 ' O ' ' HB2' ' A' ' 38' ' ' TYR . 40.5 mt -134.82 132.64 38.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.03 0.443 . . . . 0.0 110.971 178.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -86.13 166.44 15.78 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.084 175.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.09 -39.5 82.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.915 0.388 . . . . 0.0 111.109 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -63.34 -35.55 80.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.743 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -77.15 -47.94 19.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.694 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.472 ' HA ' HD21 ' A' ' 63' ' ' LEU . 79.5 t80 -61.75 -23.98 66.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.201 -178.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -55.8 -21.46 19.53 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.41 177.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.55 -6.67 49.15 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -174.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.472 HD21 ' HA ' ' A' ' 60' ' ' TYR . 1.2 pt? -137.71 156.37 48.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.173 0.511 . . . . 0.0 111.515 -178.129 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.416 ' HB ' ' HB2' ' A' ' 67' ' ' ASP . 13.7 m -123.25 146.41 47.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.591 -178.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.3 t -63.81 123.59 16.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.881 0.372 . . . . 0.0 110.215 174.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.4 -18.26 56.63 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.824 -176.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.416 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 28.2 t70 -77.1 94.42 4.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.169 0.509 . . . . 0.0 110.218 -177.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.509 ' HG2' HG22 ' A' ' 10' ' ' VAL . 77.1 mt-30 -64.64 131.8 47.96 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.296 176.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.33 -175.26 32.16 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.009 -177.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.564 ' HB ' ' HB ' ' A' ' 82' ' ' VAL . 18.2 m -90.27 141.84 28.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.637 0.256 . . . . 0.0 110.71 -173.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.61 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 58.8 tp -117.37 120.68 38.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.984 0.421 . . . . 0.0 110.92 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.5 t -92.11 109.29 20.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.534 177.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.672 ' HE2' ' HB3' ' A' ' 7' ' ' LYS . 41.8 p90 -143.55 166.24 25.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.17 0.51 . . . . 0.0 111.165 -179.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -131.89 88.85 2.61 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 172.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.56 -114.26 3.83 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 -172.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.3 p -105.42 3.08 29.24 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.178 0.513 . . . . 0.0 110.434 174.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.0 mtm180 -77.8 109.72 12.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.782 177.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -76.43 104.63 7.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.394 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.5 t -83.21 -44.22 18.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.106 178.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 169.08 152.96 8.07 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.4 176.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -94.16 133.85 37.23 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 176.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.564 ' HB ' ' HB ' ' A' ' 70' ' ' THR . 25.4 t -105.75 93.54 2.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.109 0.481 . . . . 0.0 110.531 -176.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.3 m . . . . . 0 C--N 1.321 -0.656 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.496 175.076 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.56 ' HG2' ' HA ' ' A' ' 72' ' ' SER . 93.2 mt-30 -136.86 144.49 43.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.756 -175.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.506 ' HG2' ' N ' ' A' ' 8' ' ' GLN . 51.7 tttm -168.76 164.99 12.02 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 168.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.506 ' N ' ' HG2' ' A' ' 7' ' ' LYS . 59.0 tt0 -76.0 119.45 19.97 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 175.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.1 m -120.83 178.6 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.085 -177.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.7 t -113.03 120.09 62.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.021 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.5 t -76.08 96.59 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 168.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.5 p -85.61 -39.81 16.92 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -164.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -162.95 172.21 15.4 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.915 -174.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.2 pttt -124.81 141.39 52.15 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.411 ' HD3' HH11 ' A' ' 15' ' ' ARG . 51.7 mtt180 -143.21 -177.69 5.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.78 0.324 . . . . 0.0 111.315 -177.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -143.96 120.18 10.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.977 178.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 86.7 mttt . . . . . 0 C--N 1.323 -0.575 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 175.534 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.701 ' HD2' ' O ' ' A' ' 37' ' ' ARG . 1.2 ppt_? . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 121.341 0.591 . . . . 0.0 110.223 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -95.83 168.36 10.69 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.616 -177.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.644 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 27.7 mt-10 -133.6 149.94 51.61 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.912 0.387 . . . . 0.0 110.191 173.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.65 140.0 50.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.338 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.6 t -94.57 119.25 32.95 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.501 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.407 ' CD1' ' HD2' ' A' ' 53' ' ' PHE . 94.8 m-85 -102.98 114.35 28.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.733 177.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 50.6 tttm -95.29 115.28 65.3 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.894 -177.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 6.4 Cg_exo -73.65 143.11 33.44 Favored 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 122.589 2.193 . . . . 0.0 111.492 178.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.5 mt -74.04 -14.94 61.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.444 0.64 . . . . 0.0 109.496 174.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -82.96 105.85 14.3 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 169.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -42.92 106.84 0.09 OUTLIER Glycine 0 C--N 1.333 0.414 0 O-C-N 124.276 0.985 . . . . 0.0 114.259 -173.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.71 -161.87 18.26 Favored Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.3 tp -85.89 143.14 28.39 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.753 0.311 . . . . 0.0 110.642 -178.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -72.71 140.25 47.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.444 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -102.2 126.44 49.17 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.814 0.34 . . . . 0.0 110.241 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.584 HG22 ' HB3' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -98.29 111.17 23.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.003 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.407 ' HD2' ' CD1' ' A' ' 42' ' ' PHE . 77.6 m-85 -104.98 137.35 42.86 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.832 0.349 . . . . 0.0 110.623 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.644 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 18.3 ttp180 -74.11 127.82 33.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.777 -178.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.8 mt -131.06 139.63 49.93 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.394 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -74.9 166.04 24.29 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 177.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.45 -39.37 67.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.005 0.431 . . . . 0.0 110.902 177.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -66.38 -32.95 74.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.876 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -74.58 -41.19 60.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.89 0.376 . . . . 0.0 110.651 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -67.8 -21.58 65.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.505 0.669 . . . . 0.0 110.232 176.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -78.17 -6.31 54.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.514 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -99.9 -62.71 1.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.809 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 pp -88.17 151.45 22.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.765 0.317 . . . . 0.0 110.439 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.3 m -123.1 149.36 44.58 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.839 -175.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 74.5 t -64.13 130.19 28.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.001 0.429 . . . . 0.0 110.452 177.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.51 -5.41 58.65 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.898 -176.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -73.44 97.23 2.51 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -74.21 109.95 8.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.66 172.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 8' ' ' GLN . . . -161.38 176.65 37.9 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.796 -177.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.45 142.9 44.89 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.007 0.432 . . . . 0.0 111.764 -174.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.523 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 46.6 tp -117.4 121.03 39.96 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.848 178.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.56 ' HA ' ' HG2' ' A' ' 6' ' ' GLN . 22.6 t -101.63 116.78 33.51 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.638 -178.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.674 ' HA ' HG23 ' A' ' 79' ' ' VAL . 37.9 p90 -154.74 139.72 17.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.246 0.546 . . . . 0.0 111.908 178.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -104.69 112.86 26.12 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 167.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.46 -116.79 9.48 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.38 -0.914 . . . . 0.0 111.83 -177.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.9 m -118.29 11.4 13.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.378 0.608 . . . . 0.0 110.324 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -67.24 -33.95 76.43 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.005 -175.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 75.4 t80 63.6 100.97 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.466 0.651 . . . . 0.0 110.623 -175.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.674 HG23 ' HA ' ' A' ' 73' ' ' TYR . 42.9 t -86.23 -31.92 6.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.348 0.594 . . . . 0.0 109.878 -179.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 147.12 154.18 6.13 Favored Glycine 0 N--CA 1.442 -0.939 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.331 175.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -87.32 128.8 35.18 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 175.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 45.7 t -111.95 106.48 20.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.871 0.367 . . . . 0.0 110.959 -175.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.324 -0.537 0 CA-C-O 121.463 0.649 . . . . 0.0 109.579 173.669 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 . . . . . 0 N--CA 1.448 -0.526 0 CA-C-O 120.917 0.389 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.631 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 98.9 mt-30 -104.24 134.13 48.0 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.106 178.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -142.89 145.86 33.51 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.82 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 61.5 tt0 -78.91 121.17 24.53 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.977 0.418 . . . . 0.0 110.063 177.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.6 m -132.83 174.43 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.652 -177.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.54 HG22 ' HG2' ' A' ' 68' ' ' GLN . 35.0 t -115.51 125.56 72.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.804 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 38.0 t -78.28 100.83 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 172.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.7 m -74.85 -52.5 11.19 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -170.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -161.19 163.69 31.0 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.791 -174.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -105.56 143.69 33.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.502 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -148.67 -174.28 4.57 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.643 177.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -145.35 114.2 6.88 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.354 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.55 ' HZ2' ' HB2' ' A' ' 17' ' ' LYS . 9.6 mtmp? . . . . . 0 C--N 1.32 -0.699 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 169.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.406 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 23.7 m-85 -66.19 139.02 58.09 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.013 -172.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.697 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 51.0 mt-10 -108.09 152.22 24.82 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.902 175.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -126.64 144.14 51.0 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.739 176.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.9 p -94.28 125.41 38.9 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 178.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.417 ' CD1' ' HD2' ' A' ' 53' ' ' PHE . 97.3 m-85 -102.42 117.79 35.49 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.096 -178.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -95.18 114.75 64.46 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.641 -177.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -74.19 128.35 12.08 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.424 2.083 . . . . 0.0 111.826 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.4 mt -63.07 -51.12 67.91 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -92.25 97.66 11.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.844 176.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 129.33 -153.44 19.88 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.516 -0.85 . . . . 0.0 112.605 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -152.21 178.07 29.64 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 121.182 -0.532 . . . . 0.0 111.796 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.0 mt 67.65 126.17 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.507 0.67 . . . . 0.0 111.416 -177.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -93.36 122.49 35.83 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.812 -177.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -88.32 120.64 29.88 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.899 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.44 HG22 ' HB3' ' A' ' 39' ' ' GLU . 5.7 m -93.55 120.34 33.7 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.084 -179.145 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.417 ' HD2' ' CD1' ' A' ' 42' ' ' PHE . 71.2 m-85 -116.71 149.94 39.03 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.813 0.339 . . . . 0.0 111.233 -177.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.697 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 38.7 ptt180 -74.05 138.97 44.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.64 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 38' ' ' TYR . 81.3 mt -129.12 146.1 51.14 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.091 0.472 . . . . 0.0 110.437 177.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -92.0 165.23 13.3 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 173.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.04 -34.81 44.87 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.639 0.256 . . . . 0.0 111.642 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -61.63 -54.79 38.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.946 0.403 . . . . 0.0 110.449 177.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.49 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 86.9 mt-30 -63.59 -40.04 95.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.823 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -58.05 -35.09 70.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.482 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -87.61 -19.96 27.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.938 0.399 . . . . 0.0 110.429 178.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.49 -41.15 24.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.543 -177.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 59' ' ' GLN . 3.3 pp -107.49 152.27 24.44 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.912 0.387 . . . . 0.0 110.282 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.1 m -117.5 149.99 39.69 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.774 -175.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.6 t -67.48 118.74 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 171.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.62 -4.04 46.57 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.588 -173.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -75.36 93.68 2.95 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.54 ' HG2' HG22 ' A' ' 10' ' ' VAL . 88.8 mt-30 -74.54 111.17 9.46 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.799 174.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 8' ' ' GLN . . . -161.36 -170.79 26.5 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.384 -0.912 . . . . 0.0 112.645 -175.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 p -87.58 140.67 29.29 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.182 0.515 . . . . 0.0 112.004 -173.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.631 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 61.0 tp -117.43 128.27 54.84 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.124 179.267 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.7 m -100.99 112.03 24.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.142 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -141.59 155.02 45.78 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.948 0.404 . . . . 0.0 110.863 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -123.58 87.5 2.75 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.398 175.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.96 -114.23 4.13 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -173.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 24.0 p -100.07 4.67 44.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.087 0.47 . . . . 0.0 110.835 175.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 69.9 mtt85 -87.61 108.91 19.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.577 -177.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.457 ' CE1' HD11 ' A' ' 71' ' ' LEU . 84.3 t80 -75.94 107.46 8.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.927 177.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 68.0 t -84.29 -46.65 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.157 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.89 152.97 7.14 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.556 177.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -94.72 129.79 41.49 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.5 t -114.45 108.56 25.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.819 0.342 . . . . 0.0 110.635 -176.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.5 m . . . . . 0 C--N 1.323 -0.556 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 176.623 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 . . . . . 0 N--CA 1.449 -0.513 0 CA-C-O 121.398 0.618 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.474 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 93.5 mt-30 -106.88 114.2 28.15 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.453 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.6 tttm -133.21 140.93 47.81 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 176.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -79.93 131.64 35.88 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.054 0.454 . . . . 0.0 110.702 -178.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.4 m -127.77 175.46 9.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.907 -177.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.449 ' HB ' ' HB3' ' A' ' 43' ' ' LYS . 47.9 t -104.69 125.91 59.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.963 176.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.7 t -77.82 96.67 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 172.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.43 ' OG ' ' HB2' ' A' ' 43' ' ' LYS . 15.7 m -57.97 -61.09 2.79 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.277 -174.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -173.43 155.3 2.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.324 -178.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HD2' ' CE1' ' A' ' 60' ' ' TYR . 1.1 ptmt -83.38 121.68 27.47 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.019 171.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -121.12 139.78 52.87 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.221 0.534 . . . . 0.0 111.214 -175.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.4 mp0 -89.5 94.73 9.98 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 174.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt . . . . . 0 C--N 1.319 -0.743 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.814 -177.44 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.4 mtm-85 . . . . . 0 N--CA 1.451 -0.377 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -79.03 164.47 24.32 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.76 -178.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.489 ' HB3' HG22 ' A' ' 52' ' ' THR . 29.1 mt-10 -129.3 141.37 51.12 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 175.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.403 ' O ' ' HA ' ' A' ' 52' ' ' THR . . . -118.69 135.53 54.42 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.829 0.347 . . . . 0.0 110.713 -177.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.3 m -94.55 129.36 41.4 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.832 -178.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -102.79 129.92 49.6 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.37 175.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.449 ' HB3' ' HB ' ' A' ' 10' ' ' VAL . 19.7 tttp -95.04 121.29 62.8 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.667 -172.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 7.8 Cg_exo -72.95 115.43 4.35 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 122.888 2.392 . . . . 0.0 111.596 176.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.6 mt -58.57 -33.93 70.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.658 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -91.05 20.61 4.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.118 0.485 . . . . 0.0 111.189 -175.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.66 145.14 4.77 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.225 -178.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.21 -178.51 26.7 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.869 -0.681 . . . . 0.0 111.614 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.7 mt -82.97 139.4 33.35 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 176.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -67.17 125.91 27.53 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.144 0.497 . . . . 0.0 110.539 -178.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -82.78 104.48 13.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.043 -177.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.489 HG22 ' HB3' ' A' ' 39' ' ' GLU . 14.1 m -96.51 107.54 19.96 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.598 -178.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -109.68 153.29 24.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.533 -179.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.428 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 25.2 ttm180 -85.74 144.55 27.72 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.059 -174.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.468 HD11 ' HG ' ' A' ' 63' ' ' LEU . 70.6 mt -129.75 153.18 48.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.604 -175.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -90.12 164.37 14.49 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 167.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.65 -39.91 74.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.906 0.384 . . . . 0.0 111.148 178.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -62.69 -44.5 96.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.684 177.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -67.82 -38.75 83.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.4 0.619 . . . . 0.0 109.861 178.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.426 ' CE1' ' HD2' ' A' ' 14' ' ' LYS . 78.5 t80 -54.87 -33.27 61.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.797 -1.092 . . . . 0.0 111.569 179.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -64.12 -30.47 71.53 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.28 177.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.83 -6.32 57.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.858 0.361 . . . . 0.0 111.467 -174.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.468 ' HG ' HD11 ' A' ' 55' ' ' LEU . 4.3 mm? -94.07 90.69 6.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.225 0.536 . . . . 0.0 111.061 -179.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.6 m -88.36 111.94 22.31 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.473 178.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 42.8 t -62.55 125.73 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.214 0.53 . . . . 0.0 111.376 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 96.73 -23.78 33.84 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.88 -177.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -78.54 92.6 4.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.12 0.486 . . . . 0.0 110.065 -178.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -60.45 134.91 57.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.915 177.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.34 176.13 37.9 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.369 -0.92 . . . . 0.0 112.335 -175.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.5 m -78.22 136.74 37.85 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.236 0.541 . . . . 0.0 111.283 -173.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.474 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 45.9 tp -117.43 125.0 50.21 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.72 178.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 35.2 m -101.31 112.05 24.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.094 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 55.2 p90 -136.11 157.75 46.08 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.916 0.389 . . . . 0.0 110.755 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -130.96 120.37 23.43 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 176.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.28 -114.03 5.5 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 120.218 -0.991 . . . . 0.0 111.317 -177.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.3 m -115.44 3.39 14.1 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.014 0.435 . . . . 0.0 110.487 178.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 56.4 ttt85 -105.68 141.3 37.36 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.331 0.586 . . . . 0.0 111.77 -173.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -75.39 133.46 41.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.708 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.8 t -108.0 -55.12 5.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.909 0.385 . . . . 0.0 110.43 177.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -168.28 154.34 24.14 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.518 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -107.14 135.86 47.96 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 177.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 47.0 t -125.22 102.27 10.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.875 0.369 . . . . 0.0 110.763 -177.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.326 -0.413 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 174.61 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 . . . . . 0 N--CA 1.451 -0.403 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.48 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 96.8 mt-30 -116.67 138.55 51.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.102 -178.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -156.7 159.56 38.49 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.412 -0.813 . . . . 0.0 108.881 176.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -89.18 131.08 35.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.028 0.442 . . . . 0.0 110.072 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.6 m -134.75 174.25 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.716 -176.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.408 HG22 ' HG2' ' A' ' 68' ' ' GLN . 62.1 t -116.63 126.55 74.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.411 178.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.553 HG21 HD12 ' A' ' 63' ' ' LEU . 26.0 t -76.82 88.93 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 170.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 p -82.04 -53.55 6.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.356 -170.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -131.36 143.4 50.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.01 0.433 . . . . 0.0 111.63 -176.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.429 ' HE3' ' HB3' ' A' ' 14' ' ' LYS . 0.9 OUTLIER -98.07 121.51 40.09 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 170.44 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.443 HH12 ' CD ' ' A' ' 50' ' ' GLU . 47.1 mtt85 -118.95 153.02 35.29 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.53 -176.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -138.23 94.56 2.88 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm . . . . . 0 C--N 1.322 -0.624 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.319 179.715 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 . . . . . 0 N--CA 1.451 -0.412 0 CA-C-O 120.533 0.206 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -86.55 106.49 17.57 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -103.45 144.54 31.26 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 121.134 0.492 . . . . 0.0 110.49 -172.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.5 129.09 55.17 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.91 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.691 ' HB3' ' HB3' ' A' ' 50' ' ' GLU . 17.0 m -94.39 122.77 37.29 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.209 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -102.67 118.49 36.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.102 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.459 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 81.8 tttt -95.19 128.71 37.7 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.753 -177.436 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 14.1 Cg_exo -70.22 127.21 13.9 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 123.093 2.529 . . . . 0.0 112.096 176.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.91 -24.15 67.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.513 -177.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -106.35 23.62 13.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.312 0.577 . . . . 0.0 110.998 -174.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.54 140.54 10.68 Favored Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.419 179.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.25 174.77 21.04 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 111.394 -0.682 . . . . 0.0 111.394 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 76.8 mt -89.26 152.0 21.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.718 0.294 . . . . 0.0 110.209 178.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.691 ' HB3' ' HB3' ' A' ' 41' ' ' SER . 45.4 mt-10 -66.11 127.49 32.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.542 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.9 mttp -89.18 104.02 16.6 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.899 175.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.0 m -84.22 98.24 9.84 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.86 -177.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -97.59 139.76 33.01 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 176.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.3 mtt-85 -87.11 137.62 32.19 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.501 -174.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.6 mt -132.54 171.43 13.8 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.89 -176.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -96.93 169.97 9.48 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.353 173.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.39 -38.14 89.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.077 0.465 . . . . 0.0 110.038 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -60.47 -43.0 97.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.489 175.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -70.12 -35.62 74.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.117 -179.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -66.64 -25.5 66.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.162 0.506 . . . . 0.0 110.423 177.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -75.82 -9.66 58.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.608 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -89.97 -32.86 16.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.83 -177.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.553 HD12 HG21 ' A' ' 11' ' ' VAL . 2.4 pt? -114.78 165.24 13.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 110.925 -176.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.598 ' HB ' ' HB2' ' A' ' 67' ' ' ASP . 24.2 m -123.05 140.62 52.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.765 -177.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 55.8 t -69.44 120.18 16.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 175.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.63 -12.4 53.9 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 121.149 -0.548 . . . . 0.0 111.819 -174.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.598 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 13.0 t70 -78.67 93.27 4.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.093 0.473 . . . . 0.0 109.916 -179.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.408 ' HG2' HG22 ' A' ' 10' ' ' VAL . 45.6 mt-30 -67.37 127.7 33.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.991 177.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.47 -170.92 26.81 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.995 -176.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.2 m -95.34 138.59 32.82 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.019 0.438 . . . . 0.0 111.053 -174.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.48 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 65.9 tp -117.44 131.24 56.78 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.252 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.1 m -103.49 114.15 28.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.548 176.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -140.35 170.18 16.3 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.627 -177.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -137.88 87.38 2.25 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 174.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.81 -137.1 23.82 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -171.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.8 m -89.76 65.68 6.86 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.189 0.519 . . . . 0.0 109.905 176.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 19.5 ttm-85 -153.51 125.66 7.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.801 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -79.45 117.8 20.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.4 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.2 t -98.25 -48.65 12.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.125 0.488 . . . . 0.0 109.72 175.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -179.14 139.86 4.13 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.322 177.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -98.41 124.25 42.99 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 176.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 36.9 t -110.32 95.08 3.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.273 0.559 . . . . 0.0 110.4 -177.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.1 p . . . . . 0 C--N 1.32 -0.679 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 173.077 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.618 0.246 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -105.07 109.34 21.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.168 0.508 . . . . 0.0 110.354 175.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -125.06 137.2 54.21 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.282 179.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.444 ' HG2' ' HA ' ' A' ' 70' ' ' THR . 75.2 mt-30 -82.98 132.06 35.16 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.379 177.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.433 HG12 ' HA ' ' A' ' 44' ' ' PRO . 21.3 m -126.69 167.43 21.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.162 -175.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.517 HG22 ' HG2' ' A' ' 68' ' ' GLN . 49.0 t -103.82 122.08 56.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.349 176.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.503 HG21 HD12 ' A' ' 63' ' ' LEU . 23.8 t -72.37 97.3 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 172.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.65 ' HB3' ' HB3' ' A' ' 41' ' ' SER . 29.4 t -71.98 -57.25 4.45 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.654 -171.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -175.45 162.43 2.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.261 -176.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.1 pttt -84.65 133.57 34.4 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 173.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -132.72 150.18 52.19 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.402 0.62 . . . . 0.0 110.73 -177.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -109.31 120.06 41.36 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.779 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.666 ' HE3' HG21 ' A' ' 52' ' ' THR . 92.5 mttt . . . . . 0 C--N 1.322 -0.612 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.569 178.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.6 mtm-85 . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -90.55 111.61 22.97 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 175.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.75 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 51.6 mt-10 -103.3 145.04 30.55 Favored 'General case' 0 C--N 1.31 -1.137 0 C-N-CA 119.91 -0.716 . . . . 0.0 109.143 -174.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.35 148.75 42.18 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 121.254 0.549 . . . . 0.0 111.122 -170.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.65 ' HB3' ' HB3' ' A' ' 12' ' ' SER . 11.6 t -94.82 112.65 24.36 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.982 -177.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.456 ' CD1' ' HD2' ' A' ' 53' ' ' PHE . 96.3 m-85 -106.27 108.43 19.95 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.961 178.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.606 ' HB2' ' HG2' ' A' ' 50' ' ' GLU . 59.9 tttp -95.48 124.56 52.77 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.167 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.433 ' HA ' HG12 ' A' ' 9' ' ' VAL . 24.1 Cg_exo -65.01 134.77 41.16 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.729 2.286 . . . . 0.0 111.435 172.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.2 mt -63.68 -60.06 3.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.142 0.496 . . . . 0.0 111.89 -177.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -99.16 89.04 4.1 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.395 -174.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.39 95.87 0.14 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.134 -0.555 . . . . 0.0 113.123 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 169.18 143.43 3.86 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.163 -1.018 . . . . 0.0 112.995 178.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.5 tp -88.94 154.9 19.85 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.606 ' HG2' ' HB2' ' A' ' 43' ' ' LYS . 42.6 mt-10 -59.04 129.03 40.19 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 123.412 0.445 . . . . 0.0 111.704 -177.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -102.01 143.14 32.23 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 173.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.666 HG21 ' HE3' ' A' ' 17' ' ' LYS . 3.6 m -108.95 118.1 35.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.687 0.28 . . . . 0.0 111.137 -176.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.456 ' HD2' ' CD1' ' A' ' 42' ' ' PHE . 90.6 m-85 -115.78 149.01 39.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.622 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.75 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 37.0 ttm180 -82.22 131.52 35.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.323 -174.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.448 ' HB3' ' HB2' ' A' ' 60' ' ' TYR . 83.3 mt -133.96 142.46 47.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.19 0.519 . . . . 0.0 110.992 179.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.432 ' H ' ' HB2' ' A' ' 59' ' ' GLN . 79.7 mt-30 -119.42 -167.76 1.46 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.379 172.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -43.86 -76.46 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -169.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -70.74 -21.71 62.5 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.673 -174.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.432 ' HB2' ' H ' ' A' ' 56' ' ' GLN . 88.0 mt-30 -71.51 -45.3 62.82 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.941 0.4 . . . . 0.0 110.38 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.448 ' HB2' ' HB3' ' A' ' 55' ' ' LEU . 86.0 t80 -75.82 -23.95 55.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.326 0.584 . . . . 0.0 110.247 178.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -72.18 -16.6 61.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.995 -179.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.72 -6.23 58.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.928 -176.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.503 HD12 HG21 ' A' ' 11' ' ' VAL . 2.4 pt? -144.16 164.48 30.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.836 0.35 . . . . 0.0 110.393 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.4 m -123.17 144.51 49.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.483 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 44.8 t -61.6 124.6 16.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.07 0.462 . . . . 0.0 110.408 174.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.27 -18.06 54.65 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.976 -176.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -78.51 92.57 4.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.176 0.512 . . . . 0.0 109.779 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.517 ' HG2' HG22 ' A' ' 10' ' ' VAL . 86.4 mt-30 -62.4 134.12 56.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.196 175.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.28 177.33 37.65 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.191 -1.004 . . . . 0.0 112.527 -175.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.495 ' HB ' ' HB ' ' A' ' 82' ' ' VAL . 17.2 m -84.92 133.4 34.29 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.933 0.396 . . . . 0.0 111.319 -172.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.6 tp -117.19 124.56 49.41 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.199 178.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.3 m -104.87 122.97 46.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.615 179.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.407 ' HA ' HG23 ' A' ' 79' ' ' VAL . 50.9 p90 -150.11 160.92 43.29 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.222 0.534 . . . . 0.0 111.152 -175.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -123.69 104.81 9.22 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.33 -0.85 . . . . 0.0 108.958 173.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.3 -114.2 4.08 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.515 -0.85 . . . . 0.0 111.356 -176.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.9 p -113.37 4.7 16.47 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.855 0.359 . . . . 0.0 110.92 177.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.2 ttt85 -97.39 133.12 42.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.113 0.482 . . . . 0.0 111.471 -175.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.417 ' HB2' ' CD1' ' A' ' 53' ' ' PHE . 52.9 t80 -70.27 127.56 33.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.667 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.407 HG23 ' HA ' ' A' ' 73' ' ' TYR . 85.6 t -108.86 -49.91 7.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.328 176.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -170.51 155.49 25.04 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.013 178.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -126.23 133.15 51.57 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.495 ' HB ' ' HB ' ' A' ' 70' ' ' THR . 43.3 t -109.61 95.74 4.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.784 178.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 C--N 1.321 -0.654 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.545 179.692 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 . . . . . 0 N--CA 1.449 -0.512 0 CA-C-O 120.929 0.395 . . . . 0.0 110.114 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.495 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 97.3 mt-30 -103.49 114.63 29.05 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.548 179.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -133.36 169.2 17.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.928 177.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -86.84 125.95 34.32 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 173.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.2 m -124.01 157.96 30.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 120.817 0.341 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.545 HG22 ' HG2' ' A' ' 68' ' ' GLN . 26.0 t -103.01 120.6 53.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.413 178.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.563 HG21 ' HB2' ' A' ' 63' ' ' LEU . 48.1 t -67.87 104.3 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 171.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.4 t -97.04 -58.13 2.1 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.184 -169.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -127.59 146.32 50.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.888 0.375 . . . . 0.0 111.676 -174.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -113.12 124.97 53.81 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 170.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -138.83 163.6 31.83 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.711 -171.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -146.63 110.11 4.84 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.282 171.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp . . . . . 0 C--N 1.323 -0.56 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.765 177.521 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.209 0 CA-C-O 121.109 0.481 . . . . 0.0 110.383 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.403 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 2.3 m-30 -61.36 125.18 22.84 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.538 -174.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.898 ' HG2' ' HG2' ' A' ' 54' ' ' ARG . 34.8 mt-10 -103.53 135.74 44.56 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 -179.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.22 128.95 55.19 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.883 0.373 . . . . 0.0 111.172 -175.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.743 ' HB3' ' HB3' ' A' ' 50' ' ' GLU . 20.2 m -94.42 121.58 36.1 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.72 177.367 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -102.73 127.86 49.69 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.191 -178.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.507 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 72.8 tttt -95.92 122.42 58.49 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.295 -176.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.507 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 3.8 Cg_exo -76.28 132.39 13.72 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.856 2.37 . . . . 0.0 112.601 -178.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.99 -23.66 64.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.197 178.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -87.01 17.27 4.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.821 -175.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.43 127.29 0.27 Allowed Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.439 -0.801 . . . . 0.0 112.599 -177.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 169.3 -147.1 10.73 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.531 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.0 mt -123.75 154.68 39.16 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.251 -0.278 . . . . 0.0 110.251 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.743 ' HB3' ' HB3' ' A' ' 41' ' ' SER . 23.9 mt-10 -68.28 113.37 5.83 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.031 -177.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 41' ' ' SER . 61.4 mttm -82.6 120.86 26.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.589 178.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 24.8 m -102.51 110.77 22.81 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.946 0.403 . . . . 0.0 111.34 -175.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -112.85 151.54 30.3 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.951 178.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.898 ' HG2' ' HG2' ' A' ' 39' ' ' GLU . 85.6 mtm-85 -88.5 135.32 33.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.959 0.409 . . . . 0.0 111.056 -177.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 91.3 mt -133.03 167.82 19.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.2 -174.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -104.27 165.94 10.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.842 174.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.82 -35.95 82.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.057 0.455 . . . . 0.0 110.239 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -57.15 -34.21 68.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.828 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -86.93 -39.51 15.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.522 -178.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -63.59 -17.1 62.5 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.373 178.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -52.46 -30.39 29.52 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.149 176.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.54 -61.06 1.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -176.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.563 ' HB2' HG21 ' A' ' 11' ' ' VAL . 0.7 OUTLIER -72.93 133.91 44.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.447 0.641 . . . . 0.0 111.846 -172.849 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.8 m -123.2 149.73 44.28 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.646 177.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 83.6 t -59.66 125.62 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.813 0.34 . . . . 0.0 110.656 178.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.16 -23.64 32.47 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.78 -176.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -76.24 96.37 3.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.3 0.571 . . . . 0.0 110.469 -177.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.545 ' HG2' HG22 ' A' ' 10' ' ' VAL . 79.2 mt-30 -61.29 143.16 56.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.17 174.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.483 ' HA3' ' HA ' ' A' ' 83' ' ' SER . . . -161.41 177.51 37.69 Favored Glycine 0 N--CA 1.443 -0.881 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.9 m -91.65 130.94 37.37 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.134 0.493 . . . . 0.0 110.531 -175.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.495 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 58.3 tp -117.27 122.39 43.82 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.668 -177.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.541 ' O ' ' HB ' ' A' ' 79' ' ' VAL . 22.8 m -98.1 105.22 17.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.352 175.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.3 p90 -121.27 122.67 40.43 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.372 0.606 . . . . 0.0 110.188 175.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -98.66 103.86 15.85 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.491 -0.777 . . . . 0.0 108.996 -178.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.95 -114.46 3.83 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.542 -0.837 . . . . 0.0 111.111 -174.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.9 p -119.56 16.07 12.86 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.061 0.458 . . . . 0.0 110.733 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' A' ' 77' ' ' ARG . 22.5 ttm-85 -112.95 139.0 48.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.76 -175.047 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -69.51 116.03 9.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.801 174.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.541 ' HB ' ' O ' ' A' ' 72' ' ' SER . 98.5 t -97.37 -57.21 4.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.702 0.287 . . . . 0.0 110.388 178.29 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -165.3 143.29 8.34 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.352 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -117.95 128.62 54.98 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 177.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.9 t -131.69 111.7 19.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.225 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.483 ' HA ' ' HA3' ' A' ' 69' ' ' GLY . 51.5 m . . . . . 0 C--N 1.325 -0.489 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 174.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 . . . . . 0 N--CA 1.45 -0.455 0 CA-C-O 121.203 0.525 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.421 ' HB3' ' CG2' ' A' ' 70' ' ' THR . 95.6 mt-30 -113.18 115.58 28.47 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.79 -176.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -136.15 149.51 48.66 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 173.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -84.45 141.1 31.05 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.117 0.484 . . . . 0.0 111.351 -176.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.2 m -137.7 172.58 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.582 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.535 HG22 ' HG2' ' A' ' 68' ' ' GLN . 41.6 t -107.78 119.32 57.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.096 175.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.66 HG21 HD12 ' A' ' 63' ' ' LEU . 16.5 t -68.62 96.53 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 171.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.3 t -79.25 -48.57 13.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.872 -167.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -164.73 151.8 11.16 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.873 -175.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -88.28 151.08 22.89 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 173.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -138.96 168.25 20.25 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.816 0.341 . . . . 0.0 110.602 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -142.91 95.03 2.71 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 171.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.502 ' NZ ' ' HA ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.697 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 176.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 . . . . . 0 N--CA 1.451 -0.42 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -85.09 -173.25 4.61 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.734 -175.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -132.41 152.41 51.49 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.447 ' O ' ' HA ' ' A' ' 52' ' ' THR . . . -123.69 132.98 53.96 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.679 0.276 . . . . 0.0 110.864 -178.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.482 ' OG ' ' HB3' ' A' ' 50' ' ' GLU . 12.4 t -96.64 117.79 31.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.058 179.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -102.88 117.69 35.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.279 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 87.2 tttt -98.63 124.98 44.3 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.237 -178.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 23.5 Cg_exo -65.03 139.02 59.48 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.89 2.393 . . . . 0.0 112.36 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 71.2 mt -63.03 -34.76 78.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.417 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.67 23.24 8.92 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.684 -172.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.96 148.85 6.08 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.638 -176.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.31 -172.54 29.34 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.252 -0.975 . . . . 0.0 112.371 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.2 mt -81.77 148.53 28.86 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.801 0.334 . . . . 0.0 110.822 -177.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.482 ' HB3' ' OG ' ' A' ' 41' ' ' SER . 42.6 mt-10 -82.51 112.3 19.31 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.302 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -82.47 113.2 20.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.274 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 24.4 m -98.33 113.57 25.58 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.719 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -116.31 149.88 38.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.936 178.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -88.03 125.95 34.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.935 0.398 . . . . 0.0 111.163 -174.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.5 mt -131.76 135.99 47.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.093 -175.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -81.03 173.31 12.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.122 178.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.98 -46.42 89.5 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.861 0.363 . . . . 0.0 111.328 -178.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -64.01 -33.37 75.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.268 178.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -78.57 -41.3 32.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.503 -178.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -59.2 -35.99 74.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.075 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -84.03 23.43 1.04 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -177.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.65 -11.8 21.7 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 168.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.66 HD12 HG21 ' A' ' 11' ' ' VAL . 1.5 pt? -142.62 171.51 13.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.246 -178.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.542 ' HB ' ' HB2' ' A' ' 67' ' ' ASP . 1.3 m -123.32 154.23 39.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.66 -179.092 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 49.0 t -71.7 121.04 21.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 170.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.92 -5.19 66.16 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.982 -0.628 . . . . 0.0 111.586 -173.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.542 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 0.9 OUTLIER -77.96 90.74 4.17 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.838 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.535 ' HG2' HG22 ' A' ' 10' ' ' VAL . 97.0 mt-30 -64.81 120.36 12.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.751 176.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.54 176.8 38.02 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.28 -0.962 . . . . 0.0 112.22 -176.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.421 ' CG2' ' HB3' ' A' ' 6' ' ' GLN . 7.1 m -77.04 139.84 40.16 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.964 0.411 . . . . 0.0 110.9 -175.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 52.4 tp -117.38 116.05 26.43 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.2 p -93.9 110.96 22.6 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.532 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -139.13 166.34 24.77 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.248 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -126.35 91.95 3.47 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 175.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.45 -114.33 5.36 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.314 -0.946 . . . . 0.0 111.004 -175.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.2 p -94.44 -3.28 50.39 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.876 0.369 . . . . 0.0 111.063 177.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -89.13 113.4 24.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.661 -175.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -73.88 125.28 27.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.271 175.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.0 t -106.97 -50.3 7.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.748 0.309 . . . . 0.0 110.75 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -176.5 177.03 48.01 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.595 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -125.23 134.1 52.46 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 62.1 t -127.05 98.69 4.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.961 0.41 . . . . 0.0 111.096 -176.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.4 t . . . . . 0 C--N 1.323 -0.575 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 173.704 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.5 mtm . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.75 111.02 4.16 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.893 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -71.86 158.95 51.81 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.779 2.319 . . . . 0.0 111.023 175.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.521 HD11 ' HB3' ' A' ' 72' ' ' SER . 19.8 tp -78.35 103.27 8.18 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.086 0.47 . . . . 0.0 109.91 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -80.04 112.1 17.02 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.577 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 97.9 mt-30 -116.05 123.47 48.02 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.876 -177.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.405 ' HE2' ' OD1' ' A' ' 46' ' ' ASN . 41.4 tttp -142.58 150.59 40.55 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 175.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.457 ' HG2' ' NH2' ' A' ' 84' ' ' ARG . 22.7 mp0 -77.6 129.62 35.84 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.784 0.326 . . . . 0.0 110.373 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.2 m -130.34 171.13 18.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.803 -178.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.528 HG22 ' HG2' ' A' ' 68' ' ' GLN . 87.4 t -109.79 123.84 66.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.493 176.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.2 t -75.53 93.74 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 169.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.2 p -81.69 -57.14 3.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.85 -168.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -155.12 153.76 31.32 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.429 -173.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -84.26 145.76 28.13 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 173.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 15' ' ' ARG . 4.1 ttm180 -137.56 161.5 36.26 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -176.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -145.71 101.02 3.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.93 0.395 . . . . 0.0 110.405 178.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.445 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 75.4 mmtt -103.64 131.56 21.91 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.741 173.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.524 ' HB2' ' HB3' ' A' ' 31' ' ' PRO . 50.3 Cg_exo -54.19 148.03 42.33 Favored 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 123.047 2.498 . . . . 0.0 112.65 -178.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.8 t -118.62 152.81 20.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.927 -174.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -133.4 138.1 46.1 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 173.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.414 ' OD1' ' HG3' ' A' ' 23' ' ' ARG . 11.4 t70 -76.64 152.47 35.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.06 0.457 . . . . 0.0 110.412 -177.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -71.29 -23.03 61.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.587 -175.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.414 ' HG3' ' OD1' ' A' ' 21' ' ' ASP . 47.6 mtm-85 -67.97 -19.97 65.0 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.87 0.366 . . . . 0.0 111.078 -178.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.505 ' HB3' ' HG2' ' A' ' 26' ' ' GLN . 19.3 m -65.26 -33.52 76.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.04 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 55.53 35.84 25.94 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.424 0.63 . . . . 0.0 110.245 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.505 ' HG2' ' HB3' ' A' ' 24' ' ' SER . 70.3 mm-40 -70.34 140.33 52.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.931 -174.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -93.7 11.14 30.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.103 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -143.9 166.85 23.77 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.753 -1.112 . . . . 0.0 108.324 -178.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.5 t -64.35 -75.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.512 0.196 . . . . 0.0 110.573 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.0 m 49.19 81.64 0.26 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.19 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.524 ' HB3' ' HB2' ' A' ' 18' ' ' PRO . 20.9 Cg_endo -61.58 138.53 76.07 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.756 2.304 . . . . 0.0 112.451 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.32 57.15 4.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.166 0.508 . . . . 0.0 110.466 177.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.31 -107.28 2.18 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.897 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.4 t -146.56 -177.01 5.41 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.445 ' OG ' ' HD3' ' A' ' 37' ' ' ARG . 6.1 t -151.43 162.63 40.61 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 -177.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 45.1 mtm -95.54 10.69 35.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.822 0.344 . . . . 0.0 110.731 178.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.445 ' HD3' ' OG ' ' A' ' 35' ' ' SER . 4.9 mpt_? -86.41 89.23 7.82 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 176.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -72.62 140.22 47.87 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.191 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.691 ' HG2' ' HG2' ' A' ' 54' ' ' ARG . 39.0 mt-10 -104.06 148.57 26.09 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.013 0.435 . . . . 0.0 110.506 -176.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.53 133.44 55.86 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.868 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.1 m -94.53 116.1 28.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.384 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -102.91 110.35 22.24 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 176.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -95.38 128.93 36.55 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.73 -176.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -67.5 132.17 26.52 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.502 2.135 . . . . 0.0 111.609 174.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.7 mt -62.36 -30.19 71.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.821 -177.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.405 ' OD1' ' HE2' ' A' ' 7' ' ' LYS . 4.3 p-10 -86.83 17.26 4.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.161 0.505 . . . . 0.0 111.645 -175.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.78 143.49 4.88 Favored Glycine 0 C--N 1.317 -0.527 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.563 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.29 179.23 24.98 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.022 177.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.7 mt -74.42 139.02 43.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.868 0.366 . . . . 0.0 110.599 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -65.98 133.07 50.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.805 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -82.87 100.67 10.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.7 m -90.68 101.73 14.48 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.463 -178.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -101.82 141.39 34.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.313 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.691 ' HG2' ' HG2' ' A' ' 39' ' ' GLU . 81.4 mtt-85 -85.88 130.09 34.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.441 -177.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.1 mt -123.91 162.88 22.43 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.886 -175.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -86.05 167.01 15.4 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 172.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.66 97.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.058 0.456 . . . . 0.0 110.645 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -67.8 -29.15 68.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.57 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -81.18 -43.61 19.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.928 -177.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -61.79 -30.3 70.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.2 0.524 . . . . 0.0 110.442 177.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -73.44 -7.52 52.09 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.331 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.28 -15.24 29.47 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -174.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.433 ' H ' HD23 ' A' ' 63' ' ' LEU . 2.0 pt? -125.35 168.9 12.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.936 0.398 . . . . 0.0 110.849 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.5 m -123.09 136.57 54.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.214 -176.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 55.7 t -69.2 129.85 33.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.508 176.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.84 -19.64 46.38 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.734 -176.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -73.62 96.71 2.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.358 0.599 . . . . 0.0 110.604 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.528 ' HG2' HG22 ' A' ' 10' ' ' VAL . 79.3 mt-30 -67.69 126.22 28.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.419 173.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.38 -178.06 35.0 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.387 -0.911 . . . . 0.0 112.212 -176.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.563 ' HB ' ' HB ' ' A' ' 82' ' ' VAL . 7.5 m -82.96 139.96 33.05 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.887 0.375 . . . . 0.0 110.621 -174.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.577 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 49.2 tp -117.26 126.13 52.24 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 179.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.521 ' HB3' HD11 ' A' ' 4' ' ' LEU . 19.9 m -102.94 106.72 17.32 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.791 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -140.37 160.13 40.66 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.155 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -124.81 92.31 3.62 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.59 -114.12 4.01 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 -173.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.4 p -103.9 1.43 31.34 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.097 0.475 . . . . 0.0 110.559 175.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 22.8 ttt85 -92.65 112.56 24.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.819 -176.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -70.92 126.94 30.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.812 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.1 t -103.45 -58.84 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.444 177.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -168.24 162.58 36.37 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.542 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -113.59 134.37 54.74 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.563 ' HB ' ' HB ' ' A' ' 70' ' ' THR . 48.4 t -114.13 97.75 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.902 0.382 . . . . 0.0 110.625 -177.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.1 t -67.9 144.13 55.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.891 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.457 ' NH2' ' HG2' ' A' ' 8' ' ' GLN . 90.1 mtt-85 -67.04 -48.31 68.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.242 0.544 . . . . 0.0 110.12 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.6 m -122.34 87.28 48.42 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.332 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.427 ' HD2' ' OE2' ' A' ' 89' ' ' GLU . 32.3 Cg_exo -59.09 163.84 11.22 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.791 2.327 . . . . 0.0 111.783 176.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -53.36 -43.78 68.03 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -174.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.436 HD22 ' HA ' ' A' ' 88' ' ' ASN . 0.5 OUTLIER -76.5 -9.1 58.41 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -175.75 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.427 ' OE2' ' HD2' ' A' ' 86' ' ' PRO . 25.1 mt-10 -86.58 -5.53 59.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.345 0.593 . . . . 0.0 109.778 173.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.0 tp -110.71 -45.83 3.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.451 -0.795 . . . . 0.0 108.912 171.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.81 89.2 4.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.15 -0.932 . . . . 0.0 108.645 175.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -88.06 170.96 10.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.957 -173.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -84.62 -19.12 33.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.854 -172.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -96.45 120.38 36.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.023 0.439 . . . . 0.0 110.694 177.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -125.36 164.84 19.52 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.222 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -106.77 -29.58 9.45 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 165.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 83.3 t60 . . . . . 0 C--O 1.24 0.603 0 CA-C-N 114.62 -1.173 . . . . 0.0 108.912 172.74 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 N--CA 1.478 0.968 0 CA-C-O 120.781 0.324 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -133.54 115.43 13.61 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.866 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -62.18 -43.11 25.31 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.742 2.295 . . . . 0.0 111.474 176.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.547 HD21 ' HB3' ' A' ' 72' ' ' SER . 46.2 tp -92.2 118.6 31.02 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 171.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -80.18 112.33 17.4 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -176.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.605 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 97.0 mt-30 -124.9 135.96 53.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.803 -176.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -154.59 149.68 26.91 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.244 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.443 ' HA ' ' HA ' ' A' ' 70' ' ' THR . 84.9 mt-30 -80.91 125.4 30.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.12 0.485 . . . . 0.0 110.256 175.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.7 m -129.42 172.66 15.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.569 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.536 HG22 ' HG2' ' A' ' 68' ' ' GLN . 40.6 t -109.42 123.72 65.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.232 178.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.6 t -75.25 97.23 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 173.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.8 m -69.53 -50.87 40.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.751 -173.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -177.25 169.1 2.31 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -176.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -76.97 155.1 32.92 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.934 0.397 . . . . 0.0 109.992 176.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.695 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 3.0 mmp_? -121.79 145.86 47.63 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 174.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -135.97 94.4 3.05 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 -178.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -114.66 103.57 54.8 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.405 175.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -65.24 116.7 4.02 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.626 2.217 . . . . 0.0 111.556 177.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.4 t -54.32 122.77 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.301 178.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -71.78 -49.8 35.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.86 0.362 . . . . 0.0 110.862 -176.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -94.3 93.93 8.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.98 0.419 . . . . 0.0 109.967 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -94.21 90.64 6.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.111 0.482 . . . . 0.0 110.929 -176.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -81.93 92.35 6.73 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 174.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.6 m -60.94 129.9 43.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.013 -174.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -105.1 -178.19 3.58 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.05 173.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -84.3 -38.62 20.2 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 175.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -122.65 146.61 47.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.884 177.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.683 ' HG2' ' H ' ' A' ' 29' ' ' VAL . 20.7 tt0 -142.78 177.23 8.47 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.683 ' H ' ' HG2' ' A' ' 28' ' ' GLU . 4.6 t -85.52 2.76 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.289 0.566 . . . . 0.0 110.401 -178.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.466 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 19.3 m -96.99 109.79 50.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.597 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 30' ' ' SER . 2.7 Cg_endo -81.71 -176.39 3.03 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 123.164 2.576 . . . . 0.0 112.403 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.46 19.03 0.14 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -178.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.05 -30.36 31.64 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.745 -0.741 . . . . 0.0 111.592 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.9 t -170.84 144.08 2.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.751 0.31 . . . . 0.0 110.356 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 p -93.35 1.04 57.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.614 0.721 . . . . 0.0 110.091 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 53.8 mtm -99.97 171.77 7.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.254 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.635 ' HA ' ' NE ' ' A' ' 37' ' ' ARG . 2.4 mmp_? -114.63 136.09 53.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.803 0.335 . . . . 0.0 110.732 -178.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -125.93 138.18 53.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.727 177.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.702 ' HG2' ' HG2' ' A' ' 54' ' ' ARG . 32.3 mt-10 -127.09 161.04 29.39 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.613 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.5 132.04 56.23 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.82 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.6 t -99.77 114.21 27.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.014 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -102.81 123.61 46.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.534 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.539 ' HA ' ' HG2' ' A' ' 50' ' ' GLU . 4.2 ttmp? -95.04 124.09 55.27 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.248 -177.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 6.2 Cg_exo -74.96 113.61 3.84 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 123.154 2.569 . . . . 0.0 112.024 175.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.1 mt -63.59 -21.08 66.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.175 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -105.03 22.9 14.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.068 0.461 . . . . 0.0 110.889 -175.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.44 137.87 3.79 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.591 -0.732 . . . . 0.0 112.257 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.21 172.19 18.63 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 121.066 -0.588 . . . . 0.0 111.872 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.4 tp -80.76 129.89 34.77 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 176.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.539 ' HG2' ' HA ' ' A' ' 43' ' ' LYS . 46.2 mt-10 -59.97 138.63 57.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.957 0.408 . . . . 0.0 110.881 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -94.68 139.64 30.96 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.429 -176.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.3 m -123.62 117.51 25.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.656 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -120.29 136.84 54.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.222 178.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.702 ' HG2' ' HG2' ' A' ' 39' ' ' GLU . 61.0 mtm180 -79.51 134.27 36.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.207 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.2 mt -126.1 169.07 13.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.47 0.652 . . . . 0.0 111.987 -173.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.503 ' HB2' ' HG3' ' A' ' 59' ' ' GLN . 96.7 mt-30 -90.81 174.16 7.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.519 171.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.44 -44.76 86.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.261 0.553 . . . . 0.0 110.518 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -69.77 -21.61 63.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.994 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.503 ' HG3' ' HB2' ' A' ' 56' ' ' GLN . 92.3 mt-30 -84.04 -31.7 25.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.251 0.548 . . . . 0.0 109.7 176.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -68.07 -23.07 64.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.937 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -80.97 -10.31 59.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.481 176.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.15 -8.11 46.55 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -172.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -139.47 141.37 37.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.989 0.423 . . . . 0.0 111.096 179.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.4 m -110.4 139.32 45.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.204 -176.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 69.9 t -64.96 129.06 28.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.574 176.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.88 -25.0 25.83 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 121.011 -0.614 . . . . 0.0 111.936 -177.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -75.94 96.15 3.69 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.281 0.563 . . . . 0.0 110.447 -177.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.536 ' HG2' HG22 ' A' ' 10' ' ' VAL . 73.0 mt-30 -60.24 128.2 35.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.065 174.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.32 172.28 37.52 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.348 -0.93 . . . . 0.0 112.413 -177.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.443 ' HA ' ' HA ' ' A' ' 8' ' ' GLN . 22.9 m -82.72 141.26 32.54 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.034 0.445 . . . . 0.0 111.009 -175.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.605 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 61.2 tp -117.39 127.99 54.58 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.052 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.547 ' HB3' HD21 ' A' ' 4' ' ' LEU . 19.2 m -104.04 115.85 31.18 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.873 178.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.478 ' HA ' HG23 ' A' ' 79' ' ' VAL . 52.2 p90 -144.52 164.69 30.15 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.922 0.391 . . . . 0.0 110.686 178.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.438 ' HE3' HD13 ' A' ' 4' ' ' LEU . 92.3 mttt -131.83 111.86 11.98 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 177.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.71 -114.39 5.06 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.003 -1.094 . . . . 0.0 110.933 -174.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 37.5 p -117.29 13.96 14.68 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.711 0.291 . . . . 0.0 111.008 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 23.4 ttp180 -102.65 127.67 49.66 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.073 0.464 . . . . 0.0 111.329 -178.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -68.28 118.34 11.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.129 177.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.478 HG23 ' HA ' ' A' ' 73' ' ' TYR . 66.4 t -96.96 -46.85 12.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.805 0.336 . . . . 0.0 110.255 178.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 176.21 148.18 6.84 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.377 177.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -96.08 129.98 43.22 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 176.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 47.0 t -122.85 94.72 3.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.184 0.516 . . . . 0.0 110.65 -176.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.3 t -89.64 155.67 19.08 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 174.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -103.55 9.2 37.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.358 0.599 . . . . 0.0 109.411 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.475 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 89.3 m -83.98 108.36 13.68 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.273 171.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' A' ' 85' ' ' THR . 2.1 Cg_endo -80.81 137.16 11.02 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.654 2.236 . . . . 0.0 113.338 -172.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -157.19 130.99 8.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.844 173.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -103.5 -29.07 11.39 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.284 -0.417 . . . . 0.0 109.95 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 59.18 34.92 23.42 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.894 0.854 . . . . 0.0 109.086 -174.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 59.3 tp -83.66 88.57 7.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.146 -176.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -78.21 156.02 30.03 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 174.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -76.81 8.13 4.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.464 0.649 . . . . 0.0 110.724 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -135.35 113.34 11.14 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 166.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -62.87 -22.83 66.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.123 0.487 . . . . 0.0 111.199 -172.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -141.0 141.11 34.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.614 173.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -75.1 90.75 2.52 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.528 -174.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 24.6 m170 . . . . . 0 C--O 1.249 1.077 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.537 174.352 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.8 mtm . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.29 100.75 48.48 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.941 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -88.87 6.09 4.79 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 123.166 2.578 . . . . 0.0 112.639 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 73' ' ' TYR . 1.6 pt? -96.23 158.65 15.34 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -100.84 123.32 44.86 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.926 0.393 . . . . 0.0 110.739 -178.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.459 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 91.8 mt-30 -122.89 109.59 14.34 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.042 176.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -148.48 163.86 35.92 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.583 ' HA ' ' HA ' ' A' ' 70' ' ' THR . 82.6 mt-30 -86.22 134.24 33.79 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 121.019 0.438 . . . . 0.0 110.423 -178.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.616 HG12 ' HA ' ' A' ' 44' ' ' PRO . 31.6 m -131.38 169.65 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.081 -176.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.507 HG22 ' HG2' ' A' ' 68' ' ' GLN . 26.0 t -104.18 117.71 50.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.503 175.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.597 HG21 HD11 ' A' ' 63' ' ' LEU . 40.9 t -68.48 100.07 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 171.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.3 m -77.26 -54.76 6.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.053 -170.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -173.9 163.98 4.16 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -177.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -95.57 140.48 30.34 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 176.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -145.21 152.82 40.58 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.921 0.391 . . . . 0.0 110.678 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -112.4 102.4 10.53 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 176.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -90.68 140.68 26.57 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 121.201 0.524 . . . . 0.0 111.411 -173.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -81.8 105.45 1.53 Allowed 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 122.042 1.828 . . . . 0.0 111.821 176.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.1 t -122.52 92.32 2.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -108.41 88.09 2.65 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.533 -172.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -142.94 172.38 12.77 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 170.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -66.37 -47.57 72.97 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -170.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.1 mtp85 -136.06 98.68 3.93 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.969 0.414 . . . . 0.0 111.091 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.6 t -89.34 172.93 8.67 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.139 178.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.578 HH11 HG21 ' A' ' 76' ' ' THR . 56.1 mtm180 -86.88 10.63 15.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.075 0.464 . . . . 0.0 111.08 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -114.89 21.08 14.65 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.63 174.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -112.52 125.16 53.94 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -169.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -131.53 177.72 7.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.466 171.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.9 t -102.08 -7.45 9.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.804 0.811 . . . . 0.0 108.98 174.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 m -65.12 134.93 96.07 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 114.803 -1.09 . . . . 0.0 110.955 -177.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -65.77 104.83 0.71 Allowed 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.472 2.114 . . . . 0.0 110.615 171.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.23 -19.61 56.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.514 -174.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.73 -53.87 4.75 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.498 -177.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.9 m -72.93 95.64 2.0 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 176.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.3 m -61.2 -46.3 91.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.241 -175.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 85.0 mtp -91.3 117.37 29.6 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.137 0.494 . . . . 0.0 110.69 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.477 HH21 ' CD ' ' A' ' 39' ' ' GLU . 14.1 ptm180 -63.54 122.4 16.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.131 -177.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -109.27 111.06 22.43 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 172.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.74 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 37.0 mt-10 -104.48 146.45 28.85 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.55 138.52 52.48 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 120.953 0.406 . . . . 0.0 110.608 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.8 m -94.62 117.57 30.34 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.223 178.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -102.87 119.26 38.53 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.818 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -103.5 106.49 52.16 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.052 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.616 ' HA ' HG12 ' A' ' 9' ' ' VAL . 43.4 Cg_exo -57.21 132.3 50.33 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.762 2.308 . . . . 0.0 112.047 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.7 mt -57.52 -55.8 30.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.331 -176.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -101.57 92.14 4.75 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.742 0.306 . . . . 0.0 111.449 -175.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.47 81.4 0.1 Allowed Glycine 0 N--CA 1.452 -0.261 0 CA-C-N 115.815 -0.63 . . . . 0.0 113.278 175.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.53 ' HA3' ' HB2' ' A' ' 44' ' ' PRO . . . -160.9 144.05 9.53 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.582 179.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.7 tp -90.19 157.26 17.8 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 177.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.43 120.6 10.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.009 0.433 . . . . 0.0 111.93 -177.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -101.47 130.13 47.66 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 170.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.433 HG22 ' HB3' ' A' ' 39' ' ' GLU . 13.3 m -107.31 128.57 54.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.783 0.325 . . . . 0.0 110.976 -175.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -122.92 136.67 54.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.594 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.74 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 77.0 ttt180 -74.11 118.34 16.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.846 178.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 78.7 mt -111.05 152.18 27.19 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.886 0.374 . . . . 0.0 111.394 -175.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -92.5 169.49 10.5 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 171.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.04 -43.62 78.03 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -177.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -60.78 -39.39 88.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.955 0.407 . . . . 0.0 110.812 -177.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -75.02 -28.97 60.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.691 -176.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -80.8 -33.57 34.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.67 178.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -64.48 -33.28 75.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.92 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.86 -3.33 59.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.046 0.45 . . . . 0.0 110.762 177.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.597 HD11 HG21 ' A' ' 11' ' ' VAL . 33.6 tp -103.05 142.78 33.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.378 -176.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.561 ' HB ' ' HB2' ' A' ' 67' ' ' ASP . 89.3 m -123.28 135.07 54.05 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.313 177.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 39.1 t -74.12 122.59 27.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.056 0.455 . . . . 0.0 110.144 177.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.02 -5.61 56.32 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 -174.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.561 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 21.5 t70 -76.64 94.23 3.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.31 0.576 . . . . 0.0 110.141 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.507 ' HG2' HG22 ' A' ' 10' ' ' VAL . 96.6 mt-30 -70.44 115.36 9.53 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.724 173.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.44 175.78 38.01 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.177 -176.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.583 ' HA ' ' HA ' ' A' ' 8' ' ' GLN . 11.5 m -78.79 135.62 37.14 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.095 0.474 . . . . 0.0 111.466 -173.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.459 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 58.0 tp -117.47 134.39 54.9 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.753 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.407 ' O ' ' HB ' ' A' ' 79' ' ' VAL . 40.6 t -122.42 122.53 39.2 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.848 -179.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.415 ' O ' ' HB2' ' A' ' 4' ' ' LEU . 26.0 p90 -149.04 143.66 26.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.87 0.367 . . . . 0.0 110.439 179.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -122.77 126.23 47.04 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.672 -174.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.1 -114.19 6.53 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.487 -0.863 . . . . 0.0 110.997 -174.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.578 HG21 HH11 ' A' ' 25' ' ' ARG . 22.8 p -120.53 13.58 11.76 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.066 0.46 . . . . 0.0 110.622 175.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 77' ' ' ARG . 36.9 ttt-85 -108.36 138.72 44.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.129 0.49 . . . . 0.0 110.856 -176.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -73.57 121.86 21.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.33 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.407 ' HB ' ' O ' ' A' ' 72' ' ' SER . 86.6 t -91.31 -58.06 3.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.523 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -177.54 170.65 43.18 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.583 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -131.3 133.0 44.94 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 47.4 t -128.65 102.6 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.419 -178.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.2 m -58.75 126.05 26.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.581 177.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.443 ' O ' ' HD3' ' A' ' 86' ' ' PRO . 38.7 ptt180 -69.95 119.37 14.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.24 0.543 . . . . 0.0 110.263 -177.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.9 m -101.12 103.17 23.91 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.583 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.443 ' HD3' ' O ' ' A' ' 84' ' ' ARG . 86.5 Cg_endo -87.07 170.25 7.18 Favored 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 122.804 2.336 . . . . 0.0 112.339 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.953 ' HB2' ' HB2' ' A' ' 90' ' ' LEU . 7.8 m-20 -101.48 149.65 23.86 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.481 178.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -65.91 -48.0 72.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.68 -176.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -99.53 15.81 25.33 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.233 -176.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.953 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 52.4 tp -61.93 -37.37 84.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.985 -177.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -105.92 108.65 20.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.293 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -98.02 137.47 36.78 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -109.3 127.17 54.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.19 0.519 . . . . 0.0 112.237 -175.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -102.36 128.72 48.81 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.923 174.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -121.68 98.68 6.07 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 175.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -71.6 106.94 4.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.503 -177.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 58.6 t60 . . . . . 0 C--O 1.245 0.838 0 CA-C-O 118.428 -0.796 . . . . 0.0 109.827 176.264 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.7 mtp . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 120.763 0.316 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.8 144.66 17.46 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.964 177.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.416 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 23.7 Cg_exo -64.75 157.82 54.01 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.394 2.063 . . . . 0.0 111.714 175.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.548 HD11 ' HB3' ' A' ' 72' ' ' SER . 22.2 tp -101.43 125.66 48.11 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.762 -175.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -99.24 119.4 37.84 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 174.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.489 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 94.2 mt-30 -116.25 127.71 54.97 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.123 -177.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -143.73 140.79 30.17 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 174.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.55 ' HA ' ' HA ' ' A' ' 70' ' ' THR . 75.8 mt-30 -76.83 130.0 37.03 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.2 m -133.33 177.67 6.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.672 -175.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.53 HG22 ' HG2' ' A' ' 68' ' ' GLN . 25.4 t -117.25 132.44 67.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.553 176.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.4 t -78.6 100.59 3.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 174.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.498 ' OG ' ' HB2' ' A' ' 43' ' ' LYS . 6.9 m -72.62 -65.72 0.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -168.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.492 ' HB3' HH11 ' A' ' 15' ' ' ARG . 17.8 t-20 -146.35 153.14 40.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.959 0.409 . . . . 0.0 110.739 -171.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.542 ' HD3' ' CZ ' ' A' ' 60' ' ' TYR . 18.7 ttpp -112.05 123.45 50.3 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.8 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.492 HH11 ' HB3' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -138.68 179.7 6.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.162 0.506 . . . . 0.0 110.354 176.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -131.87 105.28 7.35 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 170.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.455 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 62.1 mmtt -90.07 119.98 69.28 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-O 121.012 0.434 . . . . 0.0 110.708 -175.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -52.93 116.52 2.97 Favored 'Trans proline' 0 CA--C 1.518 -0.325 0 C-N-CA 123.331 2.687 . . . . 0.0 112.405 -175.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.7 t -77.67 91.33 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 176.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -79.92 97.83 6.89 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.113 -178.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -80.88 153.51 27.56 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.728 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -103.14 3.11 35.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.707 -172.494 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.9 tpt85 -134.37 -88.42 0.38 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 121.218 -0.193 . . . . 0.0 110.844 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 65.4 p 178.21 166.29 0.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 122.783 0.433 . . . . 0.0 109.907 -177.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -83.22 0.92 43.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.166 0.508 . . . . 0.0 110.255 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -74.9 -18.4 60.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.094 -177.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -77.15 -50.73 12.33 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.088 -177.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -92.63 -174.44 3.65 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.932 -178.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 36.3 t -68.1 -45.27 83.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-O 121.1 0.476 . . . . 0.0 110.217 178.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.2 t 65.54 82.65 0.2 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.796 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -95.61 19.46 0.6 Allowed 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 123.32 2.68 . . . . 0.0 111.723 176.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 71.28 -45.84 0.63 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.781 0.832 . . . . 0.0 111.992 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.55 -66.58 3.86 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.703 ' HB ' ' HG2' ' A' ' 37' ' ' ARG . 28.3 m -157.03 129.17 7.29 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 175.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.3 m -55.91 -57.97 9.86 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.199 0.523 . . . . 0.0 110.597 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 84.9 mtp -123.96 117.15 24.11 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 173.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.703 ' HG2' ' HB ' ' A' ' 34' ' ' THR . 75.9 mtm-85 -91.53 147.7 22.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.115 0.483 . . . . 0.0 110.798 -174.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.512 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 16.7 m-85 -115.24 101.81 9.29 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 173.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -103.37 123.38 46.72 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.165 -176.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.47 137.01 53.47 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.259 0.552 . . . . 0.0 111.474 -169.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.439 ' HA ' ' HA ' ' A' ' 52' ' ' THR . 15.7 m -95.56 132.72 40.38 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.979 177.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -102.76 132.63 48.79 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.242 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.502 ' HB3' ' HB ' ' A' ' 10' ' ' VAL . 55.0 tttp -95.32 111.63 55.82 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.957 -176.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.69 124.69 11.79 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.81 2.34 . . . . 0.0 112.066 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.3 mt -78.71 -12.02 60.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.054 0.454 . . . . 0.0 110.738 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -125.03 96.92 5.04 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 175.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.67 -140.18 15.65 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.708 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -155.39 -161.01 10.29 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.021 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 54.6 tp 64.67 98.54 0.04 OUTLIER 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.437 0.636 . . . . 0.0 111.236 -177.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -68.21 128.44 36.57 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.407 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -90.8 115.25 27.72 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.36 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 41' ' ' SER . 42.8 m -95.41 115.79 27.91 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.875 0.369 . . . . 0.0 110.274 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -113.34 137.6 51.27 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.967 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 51.8 mtt-85 -78.99 129.83 34.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.806 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' A' ' 38' ' ' TYR . 95.4 mt -122.29 141.62 51.33 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.174 0.511 . . . . 0.0 110.71 -178.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -80.95 171.8 14.54 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.3 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.437 ' O ' ' HD2' ' A' ' 61' ' ' HIS . . . -54.75 -60.96 2.65 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -174.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -60.53 -23.06 64.28 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -177.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -72.65 -48.2 41.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.736 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.542 ' CZ ' ' HD3' ' A' ' 14' ' ' LYS . 88.6 t80 -64.19 -25.7 68.19 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.094 -179.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.437 ' HD2' ' O ' ' A' ' 57' ' ' ALA . 7.4 m-70 -53.42 -30.33 39.79 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.582 0.229 . . . . 0.0 111.441 177.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.82 3.56 52.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 0.0 111.406 -178.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -106.62 135.64 47.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.485 ' HB ' ' HB2' ' A' ' 67' ' ' ASP . 22.1 m -123.26 121.74 36.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.138 178.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.6 t -67.62 125.32 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.931 0.396 . . . . 0.0 110.683 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.16 -19.63 53.73 Favored Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.839 -0.618 . . . . 0.0 112.07 -176.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.485 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 19.8 t70 -75.81 98.76 4.24 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 122.636 -0.332 . . . . 0.0 110.279 -176.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.53 ' HG2' HG22 ' A' ' 10' ' ' VAL . 92.2 mt-30 -54.77 127.19 27.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.343 171.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.48 176.06 38.02 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.702 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.55 ' HA ' ' HA ' ' A' ' 8' ' ' GLN . 12.6 m -89.28 144.37 26.14 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.894 0.378 . . . . 0.0 110.547 -175.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.489 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 45.3 tp -117.33 118.99 33.78 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -178.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.548 ' HB3' HD11 ' A' ' 4' ' ' LEU . 50.3 m -101.55 108.33 19.87 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.813 178.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -133.02 157.85 44.2 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.589 -178.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 3' ' ' PRO . 99.3 mttt -124.54 110.07 14.01 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.36 -114.47 6.53 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.312 -174.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 25.2 p -109.05 8.06 26.01 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.973 0.416 . . . . 0.0 111.191 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -107.75 124.34 49.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.135 0.493 . . . . 0.0 111.54 -174.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -65.73 124.21 21.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.32 175.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.404 HG21 ' HG3' ' A' ' 74' ' ' LYS . 59.1 t -99.71 -62.51 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.18 177.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -160.56 154.01 24.98 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.512 -0.852 . . . . 0.0 112.699 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -102.42 111.98 24.51 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 177.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 50.8 t -103.8 103.83 15.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.173 0.511 . . . . 0.0 110.73 -175.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 p -77.28 114.42 16.08 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.884 175.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -85.12 -0.59 55.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.929 0.395 . . . . 0.0 110.828 -176.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 36.1 m -69.07 116.8 45.55 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.609 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -77.4 152.84 30.62 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.804 2.336 . . . . 0.0 112.721 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -61.06 -37.58 83.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.503 0.668 . . . . 0.0 109.895 176.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -116.07 100.21 7.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.693 175.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -71.15 -14.88 62.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.088 0.471 . . . . 0.0 110.007 176.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.9 mt -66.64 -23.22 66.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.018 174.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -76.22 92.13 3.25 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 172.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -75.53 105.62 6.66 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.876 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -70.4 131.05 43.5 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.374 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -68.98 -41.57 77.71 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.398 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -87.03 103.87 15.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.737 177.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -106.65 82.87 1.77 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.117 178.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 . . . . . 0 C--O 1.246 0.876 0 CA-C-O 118.303 -0.856 . . . . 0.0 109.167 179.835 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.5 mtm . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.76 110.71 34.56 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 174.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -73.63 162.05 40.65 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.472 2.115 . . . . 0.0 112.053 -177.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.589 ' HA ' ' HA ' ' A' ' 74' ' ' LYS . 1.7 pt? -87.37 132.03 34.09 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -82.33 115.87 21.57 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 178.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.49 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 40.8 mt-30 -101.57 109.08 20.82 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 174.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -134.45 137.69 44.17 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.078 -174.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.476 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 78.1 mt-30 -76.35 107.58 8.71 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 173.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 22.8 m -115.22 165.67 10.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.417 -174.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.513 HG22 ' HG2' ' A' ' 68' ' ' GLN . 23.0 t -101.7 119.13 49.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.811 175.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.491 HG21 HD11 ' A' ' 63' ' ' LEU . 38.4 t -66.29 101.23 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 171.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.6 t -87.54 -63.51 1.29 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.191 -167.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -149.59 161.56 41.93 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -173.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.631 ' HD2' ' HD1' ' A' ' 38' ' ' TYR . 7.0 ttpm? -96.4 138.58 33.78 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.066 0.46 . . . . 0.0 110.028 177.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.441 ' NE ' ' HA ' ' A' ' 15' ' ' ARG . 2.3 mmp_? -122.25 103.16 8.57 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.825 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.555 ' O ' ' HD3' ' A' ' 18' ' ' PRO . 49.8 mt-10 -88.68 100.24 12.96 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 178.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -92.08 108.35 29.75 Favored Pre-proline 0 C--N 1.324 -0.507 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.187 173.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.555 ' HD3' ' O ' ' A' ' 16' ' ' GLU . 2.0 Cg_endo -82.76 105.23 1.36 Allowed 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 122.611 2.207 . . . . 0.0 109.562 168.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.467 ' HB ' ' NH2' ' A' ' 37' ' ' ARG . 48.2 t -105.56 99.56 8.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.132 0.491 . . . . 0.0 111.626 -171.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -84.98 120.19 26.24 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 170.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.56 -21.51 66.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.378 0.609 . . . . 0.0 110.586 -177.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.6 mtt-85 -119.71 -161.54 0.87 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 175.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 64.2 mtt-85 -88.02 169.18 12.2 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 171.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.3 m -72.44 94.88 1.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 172.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -68.09 135.49 52.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.927 -173.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -77.83 -11.21 59.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.865 -172.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -69.25 -56.2 8.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.17 0.509 . . . . 0.0 110.215 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -102.99 110.63 22.61 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.978 -178.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.506 ' O ' ' HD3' ' A' ' 31' ' ' PRO . 19.5 t -105.14 74.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.324 0.583 . . . . 0.0 109.804 -175.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.9 m -103.78 96.47 9.15 Favored Pre-proline 0 C--N 1.317 -0.806 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.638 176.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.506 ' HD3' ' O ' ' A' ' 29' ' ' VAL . 13.3 Cg_exo -70.51 -15.67 34.3 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.068 2.512 . . . . 0.0 112.189 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.22 7.06 47.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.67 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.34 76.47 1.28 Allowed Glycine 0 N--CA 1.45 -0.413 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 174.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.4 p -79.0 143.09 36.03 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.553 0.692 . . . . 0.0 112.265 -172.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.7 t -125.58 23.29 7.46 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 176.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 46.3 mtm -66.22 99.22 0.51 Allowed 'General case' 0 C--O 1.235 0.336 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.158 -175.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.467 ' NH2' ' HB ' ' A' ' 19' ' ' VAL . 69.1 mtm-85 -105.92 120.4 41.64 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 172.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.631 ' HD1' ' HD2' ' A' ' 14' ' ' LYS . 77.2 m-85 -77.66 106.45 9.47 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.006 -173.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.798 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 42.5 mt-10 -103.26 154.51 19.27 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.69 142.31 47.79 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.571 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.563 ' HB3' ' HB3' ' A' ' 50' ' ' GLU . 24.7 m -94.0 119.98 33.62 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.764 175.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -102.75 112.68 25.58 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.196 0.522 . . . . 0.0 109.738 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.446 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 87.3 tttt -95.19 115.28 65.27 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.258 -175.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 18.3 Cg_exo -66.66 136.07 41.03 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.882 2.388 . . . . 0.0 112.255 -178.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.3 mt -66.72 -13.48 61.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.453 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -92.87 20.19 6.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.913 0.387 . . . . 0.0 110.656 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.23 87.59 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.367 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -150.65 177.49 28.67 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.225 -177.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.431 ' N ' HD12 ' A' ' 49' ' ' LEU . 6.1 mp -71.62 141.19 49.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.854 0.359 . . . . 0.0 110.573 -178.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.563 ' HB3' ' HB3' ' A' ' 41' ' ' SER . 41.3 mt-10 -72.36 115.57 11.77 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.409 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -82.3 139.85 33.92 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.488 HG22 ' HB3' ' A' ' 39' ' ' GLU . 8.9 m -113.33 113.99 26.02 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.539 -175.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -116.19 140.94 48.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.897 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.798 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 78.2 mtt85 -73.76 140.92 46.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.333 -178.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.2 mt -141.72 166.07 25.75 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.227 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -102.38 167.05 10.21 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.664 174.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.16 -40.39 73.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.868 0.366 . . . . 0.0 111.199 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -61.41 -49.34 77.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.709 177.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -65.25 -37.93 88.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.018 -179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.602 ' CZ ' ' HD3' ' A' ' 14' ' ' LYS . 70.5 t80 -66.36 -32.44 73.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.713 -178.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -95.15 -6.83 40.9 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.39 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.36 -8.0 57.12 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 167.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.491 HD11 HG21 ' A' ' 11' ' ' VAL . 55.6 tp -109.9 149.36 30.0 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 114.11 -1.405 . . . . 0.0 108.998 177.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.551 ' HB ' ' HB2' ' A' ' 67' ' ' ASP . 20.2 m -123.44 126.91 47.63 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.333 178.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 51.6 t -65.83 116.58 5.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.27 -15.31 30.38 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.473 -174.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.551 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 27.6 t0 -75.51 93.04 2.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.467 0.651 . . . . 0.0 109.888 178.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.513 ' HG2' HG22 ' A' ' 10' ' ' VAL . 81.7 mt-30 -76.98 119.41 20.67 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.072 178.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.476 ' O ' ' HA ' ' A' ' 8' ' ' GLN . . . -161.42 -171.36 27.35 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.032 -177.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.49 ' HB ' ' HB ' ' A' ' 82' ' ' VAL . 25.1 m -75.58 129.8 37.79 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.095 0.474 . . . . 0.0 111.339 -175.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.49 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 53.6 tp -117.28 127.33 53.97 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 174.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.455 ' HB3' HD12 ' A' ' 4' ' ' LEU . 22.3 m -117.59 117.9 30.68 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.204 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.414 ' HA ' HG23 ' A' ' 79' ' ' VAL . 25.9 p90 -144.07 135.28 25.56 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.186 0.517 . . . . 0.0 110.259 179.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 4' ' ' LEU . 56.7 tttm -102.52 107.46 18.43 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.765 -174.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.75 -114.51 4.41 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.231 -0.985 . . . . 0.0 110.914 -174.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.7 m -117.08 15.79 15.03 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.47 0.653 . . . . 0.0 109.747 175.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 -105.74 125.8 51.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.625 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -68.78 123.53 21.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.588 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.452 ' HB ' ' O ' ' A' ' 72' ' ' SER . 97.8 t -96.27 -59.1 3.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.8 0.333 . . . . 0.0 110.131 177.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -177.13 159.54 25.93 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.553 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -110.7 131.8 54.74 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.49 ' HB ' ' HB ' ' A' ' 70' ' ' THR . 42.7 t -118.22 98.01 6.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.407 -177.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.9 m -72.65 173.67 8.67 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.685 177.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -55.99 -48.14 76.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.271 0.558 . . . . 0.0 110.069 175.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 60.7 m -144.89 101.67 4.54 Favored Pre-proline 0 C--N 1.318 -0.763 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.662 173.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -77.91 -172.95 1.63 Allowed 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.872 2.382 . . . . 0.0 112.979 -176.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -79.85 158.14 26.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.689 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -86.18 -5.88 59.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.172 -176.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 74.48 -50.95 0.68 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.902 0.881 . . . . 0.0 111.672 177.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -82.26 112.49 19.31 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 177.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -61.72 105.54 0.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.566 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -82.2 103.07 11.53 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 172.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -64.79 -11.51 37.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.331 -168.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -67.5 -20.74 65.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.973 0.416 . . . . 0.0 110.173 174.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -121.82 126.82 49.67 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 174.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -100.9 126.13 47.5 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.081 0.467 . . . . 0.0 111.147 -174.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.445 -0.788 . . . . 0.0 109.515 174.254 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.3 ttp . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.48 135.26 21.96 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.79 -178.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -58.98 -34.42 99.14 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.872 2.382 . . . . 0.0 111.433 173.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.506 HD11 HG21 ' A' ' 79' ' ' VAL . 28.6 tp -68.67 123.1 19.97 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 172.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -80.41 112.15 17.48 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.313 0.578 . . . . 0.0 110.208 -175.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.554 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 97.0 mt-30 -112.35 109.99 19.94 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.335 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.509 ' HD3' ' N ' ' A' ' 8' ' ' GLN . 6.4 tmtm? -126.73 133.82 50.8 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -178.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.509 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 90.8 mt-30 -79.33 123.25 27.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.126 0.488 . . . . 0.0 110.541 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.493 HG12 ' HA ' ' A' ' 44' ' ' PRO . 15.4 m -133.91 171.04 18.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.166 -176.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.577 HG22 ' HG2' ' A' ' 68' ' ' GLN . 3.1 t -103.65 137.39 32.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.583 176.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.404 ' HB ' ' HA ' ' A' ' 65' ' ' VAL . 42.5 t -87.98 100.3 10.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 173.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.3 m -73.85 -61.71 1.75 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.669 -174.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -165.54 174.13 10.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.432 -176.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -93.98 160.74 14.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.269 176.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -151.87 143.32 23.45 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.18 174.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -110.77 123.15 49.51 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 173.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.454 ' HB2' ' NH2' ' A' ' 37' ' ' ARG . 43.5 mttp -89.71 126.83 56.52 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 173.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 31.3 Cg_exo -59.04 115.22 2.41 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.68 2.254 . . . . 0.0 111.231 176.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.1 t -83.32 92.88 2.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.549 -176.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -67.87 -23.2 65.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.537 0.684 . . . . 0.0 109.533 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -70.34 -22.52 62.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.774 177.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -90.14 -51.32 5.51 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -123.68 112.33 17.25 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 176.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.3 m -97.0 -23.9 16.06 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.099 -170.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.6 ttm-85 -82.72 112.19 19.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.062 0.458 . . . . 0.0 110.189 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -90.82 1.39 56.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.226 -177.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -89.03 11.15 19.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.903 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -98.49 155.11 17.42 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.232 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.2 t -71.8 -53.91 18.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.061 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 m 59.05 89.82 0.1 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.703 179.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.85 31.78 0.41 Allowed 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 122.904 2.403 . . . . 0.0 112.585 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -156.4 93.8 1.43 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.702 -178.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.46 22.05 29.18 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.795 -176.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.7 t -137.46 167.89 20.74 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.023 0.44 . . . . 0.0 109.974 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.8 m -146.41 169.92 17.9 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 85.2 mtp -77.75 3.38 14.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.804 0.335 . . . . 0.0 111.376 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.454 ' NH2' ' HB2' ' A' ' 17' ' ' LYS . 3.3 tmm_? -92.19 94.5 9.23 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 176.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -105.27 124.68 49.95 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.226 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.799 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 41.8 mt-10 -105.68 163.9 12.33 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.5 ' O ' ' HA ' ' A' ' 52' ' ' THR . . . -123.91 143.62 50.27 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.657 0.265 . . . . 0.0 111.099 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.5 m -94.65 119.54 33.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.159 177.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -102.98 117.33 34.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.381 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.454 ' HB3' ' HB ' ' A' ' 10' ' ' VAL . 87.0 tttt -95.38 118.79 66.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.684 -175.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.493 ' HA ' HG12 ' A' ' 9' ' ' VAL . 21.3 Cg_exo -66.1 129.31 21.47 Favored 'Trans proline' 0 CA--C 1.53 0.285 0 C-N-CA 122.972 2.448 . . . . 0.0 112.506 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.13 -31.67 72.87 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.339 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -95.59 18.61 12.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.439 0.638 . . . . 0.0 110.47 -177.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.68 149.67 15.05 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.037 -177.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.32 179.96 25.62 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.3 mt -83.13 134.87 34.97 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.934 0.397 . . . . 0.0 110.396 177.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -68.32 114.54 6.87 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.762 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -82.49 128.92 34.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.226 -178.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 28.3 m -103.84 104.03 13.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.737 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -100.02 144.77 28.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.799 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 0.9 OUTLIER -74.42 134.77 42.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.029 -177.378 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.8 mt -132.54 179.73 5.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.267 178.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.453 ' H ' ' HB3' ' A' ' 59' ' ' GLN . 83.4 mt-30 -119.27 178.83 4.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.092 173.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.61 -51.17 69.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.488 -177.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -69.0 -26.79 65.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.246 -179.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.453 ' HB3' ' H ' ' A' ' 56' ' ' GLN . 23.8 tp60 -73.09 -45.27 58.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.079 178.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -66.93 -22.93 65.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.1 0.476 . . . . 0.0 110.148 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -65.78 -19.86 66.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.532 176.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -102.91 -0.65 30.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.031 0.443 . . . . 0.0 110.755 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.417 HD23 ' O ' ' A' ' 59' ' ' GLN . 2.9 mm? -88.69 107.27 18.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.568 -179.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.8 m -86.2 100.48 12.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.109 0.48 . . . . 0.0 110.515 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.404 ' HA ' ' HB ' ' A' ' 11' ' ' VAL . 53.3 t -60.96 135.96 25.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.283 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.45 -32.13 4.58 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.299 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -78.83 97.26 5.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.282 0.563 . . . . 0.0 110.673 -174.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.577 ' HG2' HG22 ' A' ' 10' ' ' VAL . 60.7 mt-30 -47.68 131.89 14.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.554 -1.203 . . . . 0.0 110.433 173.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 1.106 ' HA3' ' HA ' ' A' ' 83' ' ' SER . . . -161.42 -172.93 29.43 Favored Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 120.23 -0.986 . . . . 0.0 112.599 -177.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.3 m -91.11 134.28 34.66 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.977 0.418 . . . . 0.0 111.297 -173.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.554 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 60.3 tp -117.38 122.14 43.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.871 179.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.497 ' HB3' HD21 ' A' ' 4' ' ' LEU . 21.0 m -107.79 112.59 25.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.455 -179.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -142.16 164.66 29.57 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.644 177.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -134.82 98.57 4.07 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.49 -114.28 4.08 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.282 -175.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.3 p -104.6 0.16 28.29 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.909 0.385 . . . . 0.0 111.096 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 77' ' ' ARG . 32.2 ttt180 -92.71 118.54 31.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.244 -177.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -72.44 123.69 23.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.597 173.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.506 HG21 HD11 ' A' ' 4' ' ' LEU . 61.6 t -101.67 -50.62 9.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.643 0.259 . . . . 0.0 110.536 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -178.17 147.79 8.18 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.397 178.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -121.09 127.4 51.61 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 177.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 66.9 t -135.13 102.02 3.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.605 -0.516 . . . . 0.0 109.605 178.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 1.106 ' HA ' ' HA3' ' A' ' 69' ' ' GLY . 20.3 m -54.34 -70.42 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.289 0.566 . . . . 0.0 109.906 177.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 29.1 ttm-85 -162.21 16.81 0.09 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.629 175.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.461 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 1.5 p -94.48 131.08 31.78 Favored Pre-proline 0 N--CA 1.448 -0.529 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.989 -172.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 85' ' ' THR . 13.3 Cg_exo -70.06 125.46 12.01 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.909 2.406 . . . . 0.0 112.016 176.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -86.86 1.98 50.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.145 0.498 . . . . 0.0 110.915 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -75.11 -11.91 60.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.062 -176.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -91.83 10.13 29.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.17 -178.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 92.5 mt -93.2 131.49 38.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.208 178.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -83.53 112.12 19.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.119 0.485 . . . . 0.0 111.861 -177.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -98.86 93.52 6.09 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 171.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -71.01 107.82 4.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.163 0.506 . . . . 0.0 110.745 -176.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -79.15 -24.3 43.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.563 -175.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -114.73 105.29 12.87 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.546 ' HD2' ' HD2' ' A' ' 97' ' ' HIS . 9.9 t60 -67.25 -49.02 65.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.609 -174.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.546 ' HD2' ' HD2' ' A' ' 96' ' ' HIS . 18.3 m-70 . . . . . 0 C--O 1.243 0.732 0 CA-C-O 118.624 -0.703 . . . . 0.0 109.496 177.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.6 mtt . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 120.668 0.27 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.456 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . -82.31 -48.26 0.9 Allowed Pre-proline 0 CA--C 1.538 0.486 0 N-CA-C 113.499 0.925 . . . . 0.0 113.499 -174.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.456 ' HD3' ' HB3' ' A' ' 2' ' ' ALA . 76.9 Cg_exo -51.09 -40.0 60.09 Favored 'Trans proline' 0 C--N 1.361 1.227 0 C-N-CA 122.355 2.037 . . . . 0.0 112.587 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.495 HD21 ' HB2' ' A' ' 72' ' ' SER . 37.0 tp -80.91 105.04 11.83 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 174.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -80.16 113.81 18.6 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.118 0.485 . . . . 0.0 109.986 -176.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -100.62 123.92 45.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.505 -178.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.503 ' NZ ' ' HB2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -130.17 134.42 47.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.789 178.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 33.3 tt0 -80.61 113.45 18.81 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.488 HG12 ' HA ' ' A' ' 44' ' ' PRO . 33.8 m -122.18 165.49 17.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.384 -174.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.518 HG22 ' HG2' ' A' ' 68' ' ' GLN . 39.2 t -107.68 119.7 57.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.942 175.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.44 HG12 HG22 ' A' ' 65' ' ' VAL . 31.6 t -76.23 96.42 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 172.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.3 m -66.13 -53.01 43.03 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.35 -175.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -166.85 176.98 6.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.185 0.517 . . . . 0.0 111.437 -175.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.534 ' NZ ' ' HB3' ' A' ' 14' ' ' LYS . 5.2 ttpm? -100.89 111.28 23.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.666 175.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.585 ' HB2' HG21 ' A' ' 52' ' ' THR . 66.3 mtt180 -104.14 142.27 34.79 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.012 0.434 . . . . 0.0 110.342 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -120.64 110.56 16.56 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.896 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.41 ' HG3' ' OE1' ' A' ' 39' ' ' GLU . 34.0 mttp -90.2 123.35 66.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.245 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.439 ' HB2' ' OD1' ' A' ' 20' ' ' ASN . 36.2 Cg_endo -66.81 128.26 18.56 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.05 1.833 . . . . 0.0 110.554 173.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.474 HG12 ' HB3' ' A' ' 21' ' ' ASP . 21.7 t -74.73 -51.69 21.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.386 -175.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.439 ' OD1' ' HB2' ' A' ' 18' ' ' PRO . 19.6 m120 54.41 34.32 20.58 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.554 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.474 ' HB3' HG12 ' A' ' 19' ' ' VAL . 9.4 p-10 -80.76 168.77 18.43 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -179.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 -68.91 -50.19 51.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.608 -172.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -120.67 84.12 2.17 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.806 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.5 m -67.54 113.67 5.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.95 176.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.7 mtp85 -82.04 141.67 33.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.209 -177.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.404 ' OE1' ' HA ' ' A' ' 31' ' ' PRO . 23.1 mt-30 -84.6 136.11 33.91 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.358 -173.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -74.61 -38.87 62.47 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 173.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -101.12 149.73 23.66 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.108 175.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.1 t -72.6 -27.18 25.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.041 0.448 . . . . 0.0 110.81 -176.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.511 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 14.9 m -61.75 139.04 95.45 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.718 178.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.511 ' HD3' ' HA ' ' A' ' 30' ' ' SER . 12.2 Cg_exo -71.27 56.96 2.15 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.696 2.931 . . . . 0.0 113.414 -175.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -160.22 14.84 0.13 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.326 174.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.05 96.73 1.93 Allowed Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.802 -0.713 . . . . 0.0 113.399 -171.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.3 t -103.72 135.66 44.87 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 172.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.4 t -94.17 89.77 6.11 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.065 0.459 . . . . 0.0 110.292 -176.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 68.1 mtm -77.85 87.85 4.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.359 0.599 . . . . 0.0 109.634 176.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.856 ' HD3' ' HD2' ' A' ' 54' ' ' ARG . 94.8 mtt180 -90.21 128.22 36.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.512 -176.045 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.427 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 48.9 m-85 -91.97 128.18 37.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.334 -177.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.826 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 46.7 mt-10 -111.78 159.38 18.34 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.613 ' O ' ' HA ' ' A' ' 52' ' ' THR . . . -120.34 138.89 53.47 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.643 0.258 . . . . 0.0 110.991 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.2 m -94.3 113.65 25.59 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.733 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -102.84 108.65 19.95 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.863 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.591 ' HB2' ' HG2' ' A' ' 50' ' ' GLU . 88.7 tttt -95.29 109.81 47.05 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.672 178.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.488 ' HA ' HG12 ' A' ' 9' ' ' VAL . 59.1 Cg_endo -73.53 139.73 28.85 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.414 2.076 . . . . 0.0 112.113 -178.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.3 mt -71.37 -30.31 65.99 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.37 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -142.72 82.97 1.79 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.786 173.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -162.59 -44.09 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.233 -0.984 . . . . 0.0 113.012 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.38 -140.58 8.22 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.329 -177.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.409 ' HG ' ' N ' ' A' ' 50' ' ' GLU . 36.7 tp -78.33 164.14 25.1 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.091 0.472 . . . . 0.0 111.542 -174.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.591 ' HG2' ' HB2' ' A' ' 43' ' ' LYS . 34.0 mt-10 -63.46 120.39 11.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.315 177.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -100.39 111.36 23.62 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.902 0.382 . . . . 0.0 110.411 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.613 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 27.2 m -92.88 106.36 18.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.751 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -104.64 152.51 22.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.787 -178.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.856 ' HD2' ' HD3' ' A' ' 37' ' ' ARG . 69.2 ttp85 -75.86 134.25 40.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.742 -175.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 76.6 mt -125.36 169.04 12.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.67 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -86.34 170.0 12.43 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 171.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.86 -36.56 72.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.45 0.643 . . . . 0.0 109.324 175.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -71.96 -35.71 69.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.435 177.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -69.07 -33.03 72.91 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.388 176.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.506 ' CZ ' ' HD3' ' A' ' 14' ' ' LYS . 43.5 t80 -63.54 -35.46 80.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.165 175.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -65.63 -23.66 66.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.35 175.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -99.65 12.27 37.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.11 0.481 . . . . 0.0 110.952 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.0 tp -102.98 146.58 28.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.105 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.516 ' HB ' ' HB3' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -123.21 98.28 5.8 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.925 0.393 . . . . 0.0 111.172 179.787 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.44 HG22 HG12 ' A' ' 11' ' ' VAL . 27.3 t -68.9 128.9 33.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.948 0.404 . . . . 0.0 110.845 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.94 -20.87 42.86 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.115 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.516 ' HB3' ' HB ' ' A' ' 64' ' ' THR . 27.5 t70 -81.79 90.96 6.42 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -178.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.518 ' HG2' HG22 ' A' ' 10' ' ' VAL . 72.2 mt-30 -55.78 124.11 16.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.859 177.076 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 8' ' ' GLN . . . -161.28 -170.86 26.52 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.291 -0.957 . . . . 0.0 112.395 -174.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.5 m -91.13 134.91 34.15 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.248 0.547 . . . . 0.0 111.559 -171.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.4 tp -117.36 117.86 30.65 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.846 178.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.495 ' HB2' HD21 ' A' ' 4' ' ' LEU . 6.7 p -94.72 112.0 23.76 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.959 176.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.436 ' HE2' ' HB3' ' A' ' 7' ' ' LYS . 39.2 p90 -135.96 151.97 50.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.198 0.523 . . . . 0.0 111.111 -177.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -118.78 93.97 4.29 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 174.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.24 -114.76 3.91 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -172.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 29.7 p -111.37 7.99 21.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.275 0.559 . . . . 0.0 110.335 174.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 77' ' ' ARG . 32.6 ttm180 -88.49 117.97 27.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.935 -179.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -69.43 112.63 6.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.087 -0.961 . . . . 0.0 110.117 177.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.7 t -91.94 -39.32 11.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.327 0.584 . . . . 0.0 109.673 177.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 174.75 149.64 7.3 Favored Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.88 177.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -108.73 118.21 36.19 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 176.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 41.8 t -101.89 96.21 4.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.792 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.478 ' HB3' ' OD2' ' A' ' 67' ' ' ASP . 11.3 m -64.73 177.32 0.95 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.156 176.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -68.31 -12.81 61.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.209 0.528 . . . . 0.0 110.578 176.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.8 p -83.46 147.1 51.98 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.114 171.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -60.62 149.29 88.0 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 122.914 2.409 . . . . 0.0 113.182 -177.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -68.91 130.03 41.63 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.982 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.4 HD22 ' HA ' ' A' ' 88' ' ' ASN . 3.3 t-20 58.23 55.93 4.81 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.003 -179.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -66.16 -56.15 12.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.197 176.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.0 mt -77.29 128.23 33.96 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.1 -177.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -90.33 139.95 30.17 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.986 178.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -92.79 168.79 10.95 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 177.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 50.7 t60 -86.59 7.23 27.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.975 0.417 . . . . 0.0 111.485 -171.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -108.31 -64.59 1.2 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.942 0.401 . . . . 0.0 110.127 176.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -88.97 106.65 18.56 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -99.77 150.97 21.78 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.011 0.434 . . . . 0.0 111.242 -176.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 53.8 t60 . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.623 -0.703 . . . . 0.0 109.297 175.575 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.9 mtm . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.13 137.88 68.69 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 175.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -74.2 138.09 24.62 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.06 1.84 . . . . 0.0 112.813 -178.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.544 HD11 ' HB3' ' A' ' 72' ' ' SER . 19.0 tp -83.82 99.75 10.51 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.34 175.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -82.21 112.32 19.12 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -97.95 110.37 22.95 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.161 177.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -129.39 135.07 48.24 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.45 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 72.4 mt-30 -76.01 130.34 38.25 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.172 0.511 . . . . 0.0 110.247 176.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.4 m -126.66 165.45 24.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.645 -178.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.485 HG22 ' HG2' ' A' ' 68' ' ' GLN . 41.0 t -101.54 122.17 53.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.18 177.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.0 t -72.03 96.46 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 172.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.673 ' HB3' ' HB2' ' A' ' 41' ' ' SER . 29.6 t -71.99 -56.25 5.99 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.636 -172.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -171.75 -176.36 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 -177.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -100.21 141.33 33.2 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 174.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -125.01 169.35 12.2 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -146.93 104.85 3.74 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.283 -176.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -112.11 103.51 55.36 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.094 173.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -74.49 105.37 2.04 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 121.939 1.759 . . . . 0.0 109.933 168.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 41.4 t -94.3 119.13 41.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.675 -174.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -71.57 155.52 40.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.764 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -128.15 147.4 50.55 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.946 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 22' ' ' ARG . 12.8 mtm180 -79.93 -5.53 55.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.008 0.433 . . . . 0.0 111.171 -173.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.7 mtt85 -82.7 -17.6 43.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.45 0.643 . . . . 0.0 109.446 173.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.3 m -91.3 161.13 15.17 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.815 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -90.14 164.57 14.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.414 0.626 . . . . 0.0 112.103 -175.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -91.98 -37.69 12.69 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 171.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -86.46 97.67 10.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.942 -1.026 . . . . 0.0 108.706 172.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 65.05 93.31 0.06 Allowed 'General case' 0 C--O 1.234 0.245 0 O-C-N 123.762 0.664 . . . . 0.0 109.811 -172.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.8 t -58.5 -32.99 46.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.136 -174.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.9 m 63.31 94.41 0.05 OUTLIER Pre-proline 0 C--O 1.233 0.189 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.206 -177.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -60.02 99.87 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.132 2.555 . . . . 0.0 112.979 -173.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -98.78 -2.1 38.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.108 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -140.05 57.82 0.6 Allowed Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.137 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.9 m -70.84 -17.29 62.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.067 0.46 . . . . 0.0 111.063 -177.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.9 p -68.99 93.19 0.55 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.305 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 69.7 mtm -75.4 96.7 3.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.728 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.2 mtt85 -81.87 107.55 14.69 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.613 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -65.47 148.31 51.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.657 -175.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.775 ' HG2' ' HG2' ' A' ' 54' ' ' ARG . 45.5 mt-10 -103.57 155.42 18.55 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.084 -178.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.62 139.85 51.54 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.836 174.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.673 ' HB2' ' HB3' ' A' ' 12' ' ' SER . 4.1 m -94.19 115.78 28.1 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.488 -179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -102.7 106.36 16.98 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.496 ' HG3' ' HG2' ' A' ' 50' ' ' GLU . 46.7 tttp -95.47 115.57 65.58 Favored Pre-proline 0 C--N 1.318 -0.763 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.402 -174.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -63.64 132.29 34.74 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.521 2.147 . . . . 0.0 111.578 178.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 44.3 mt -60.9 -60.22 4.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.503 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -120.84 81.17 1.73 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 174.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.76 -119.43 0.78 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.736 -176.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -150.67 -136.31 2.51 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.379 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.1 tp -49.19 136.15 15.64 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 122.999 0.519 . . . . 0.0 111.75 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.496 ' HG2' ' HG3' ' A' ' 43' ' ' LYS . 27.2 mt-10 -72.21 130.05 39.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.361 -178.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -86.91 117.89 25.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.885 0.374 . . . . 0.0 110.094 -179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.493 HG22 ' HB3' ' A' ' 39' ' ' GLU . 18.2 m -105.55 108.93 20.71 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.475 179.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -108.81 144.21 36.98 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.159 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.775 ' HG2' ' HG2' ' A' ' 39' ' ' GLU . 27.0 mtm180 -78.03 140.5 39.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.144 179.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.4 mt -123.31 177.82 5.42 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.08 -176.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.54 ' HB2' ' HG2' ' A' ' 59' ' ' GLN . 80.3 mt-30 -107.52 174.37 5.91 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.193 175.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.34 -48.13 83.09 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.96 0.409 . . . . 0.0 110.662 177.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -65.55 -30.86 71.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.032 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.54 ' HG2' ' HB2' ' A' ' 56' ' ' GLN . 80.0 mm-40 -70.24 -44.55 68.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.425 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -71.58 -19.56 62.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.22 0.533 . . . . 0.0 110.32 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -70.05 -21.96 63.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.194 175.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -101.0 -40.22 7.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.543 177.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.24 97.5 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.212 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 44.3 m -88.71 122.99 32.71 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.426 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.35 128.98 22.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.122 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.97 -18.26 57.05 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.141 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -77.88 94.73 4.6 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.323 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.485 ' HG2' HG22 ' A' ' 10' ' ' VAL . 67.5 mt-30 -65.14 128.52 36.14 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.323 174.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.45 ' O ' ' HA ' ' A' ' 8' ' ' GLN . . . -161.29 176.46 37.84 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.163 -1.018 . . . . 0.0 112.684 -175.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.7 m -77.22 133.54 38.86 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.116 0.484 . . . . 0.0 111.681 -172.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.1 tp -117.36 119.26 34.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.004 177.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.544 ' HB3' HD11 ' A' ' 4' ' ' LEU . 27.3 m -98.67 109.42 22.18 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.562 178.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -140.55 155.16 46.69 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.916 0.389 . . . . 0.0 110.691 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.425 ' HG2' ' HA ' ' A' ' 4' ' ' LEU . 89.9 mttt -125.38 95.53 4.5 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.643 177.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.99 -114.22 5.96 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.38 -0.914 . . . . 0.0 111.297 -174.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.7 p -96.08 -6.21 39.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.084 0.469 . . . . 0.0 110.829 176.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -79.94 107.73 12.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.026 -178.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -73.13 114.35 11.2 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 173.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.444 ' HB ' ' O ' ' A' ' 72' ' ' SER . 59.9 t -94.2 -48.79 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.655 -178.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 173.26 148.24 6.27 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.184 -1.008 . . . . 0.0 113.171 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -101.17 129.18 47.04 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 175.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 38.3 t -126.61 114.34 37.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.924 0.392 . . . . 0.0 110.916 -175.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.9 t -82.31 148.1 28.51 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 174.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 87.6 mtt-85 -90.55 4.98 49.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.772 0.32 . . . . 0.0 111.059 -175.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.4 t -132.39 118.93 16.17 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 121.143 0.497 . . . . 0.0 110.572 177.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -86.86 32.2 0.44 Allowed 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 123.071 2.514 . . . . 0.0 112.154 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -103.11 96.33 6.71 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.173 -177.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -82.65 32.91 0.41 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.999 -177.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.48 -24.02 66.35 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 177.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 78.7 mt -61.87 -30.52 70.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.53 175.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.87 -35.06 16.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.691 177.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -67.4 -27.33 66.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.29 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -90.63 81.88 5.83 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 167.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -77.53 106.84 9.56 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.436 -172.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -97.7 154.88 17.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.065 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -78.11 -24.97 47.3 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 170.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 . . . . . 0 C--O 1.245 0.822 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.117 178.194 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.9 mtm . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 120.77 0.319 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.78 164.5 35.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.999 -177.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.44 -31.33 77.41 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.765 2.31 . . . . 0.0 112.474 176.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.3 tp -77.39 104.74 8.09 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 170.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -80.27 112.3 17.47 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.002 -175.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.684 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 89.7 mt-30 -105.78 120.27 41.27 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.372 174.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -139.92 158.42 44.1 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.115 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.486 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 87.9 mt-30 -88.12 112.55 22.81 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 173.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 m -121.29 176.01 4.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.461 -175.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.3 t -114.04 129.95 69.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.094 178.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.6 t -84.17 98.08 5.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 173.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 m -72.26 -57.64 4.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.041 -173.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -162.34 163.23 28.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.046 -173.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.0 pttt -95.99 158.02 15.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.811 0.339 . . . . 0.0 110.628 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.6 mtt-85 -142.32 170.09 16.36 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 175.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.437 ' HG3' ' HB2' ' A' ' 37' ' ' ARG . 37.9 tt0 -146.87 99.17 3.15 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 169.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.421 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 74.6 mmtt -90.06 112.75 54.16 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-O 120.979 0.419 . . . . 0.0 110.313 174.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 17' ' ' LYS . 25.1 Cg_endo -63.36 108.9 0.89 Allowed 'Trans proline' 0 N--CA 1.456 -0.704 0 C-N-CA 122.335 2.024 . . . . 0.0 111.15 177.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.5 t -61.59 -27.69 42.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.623 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 63.44 78.99 0.27 Allowed 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.846 -175.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.7 -38.39 75.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.2 -178.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -119.49 135.68 54.66 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.89 175.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.418 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 1.6 mmp_? -94.71 92.76 7.16 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.551 177.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.6 p -103.39 144.32 31.53 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.586 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 70.0 mtt85 -67.64 -43.46 80.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.172 176.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -94.36 149.31 21.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.943 178.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -133.54 -172.4 2.95 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.059 -175.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -93.51 124.77 37.72 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.645 176.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.546 ' O ' ' HD3' ' A' ' 31' ' ' PRO . 47.7 t -73.03 -40.81 59.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 177.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.9 m -108.46 86.65 3.61 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.317 172.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.546 ' HD3' ' O ' ' A' ' 29' ' ' VAL . 5.5 Cg_exo -80.26 -179.96 5.67 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 123.187 2.591 . . . . 0.0 112.341 -174.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.46 -18.54 63.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.318 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.01 -51.94 2.87 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.186 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.8 m -149.0 143.4 26.08 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 178.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.9 m -92.92 -152.93 0.33 Allowed 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 89.8 mtp -108.82 31.46 5.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.21 0.529 . . . . 0.0 109.877 176.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.437 ' HB2' ' HG3' ' A' ' 16' ' ' GLU . 75.6 mtt180 -111.85 132.64 54.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.768 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -136.95 119.39 15.82 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.904 0.383 . . . . 0.0 110.25 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.83 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 35.2 mt-10 -103.48 150.47 23.85 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.01 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.57 137.2 53.4 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.769 0.319 . . . . 0.0 110.395 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.3 m -94.36 114.79 26.89 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.839 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -103.36 112.64 25.63 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.341 0.591 . . . . 0.0 109.807 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 85.8 tttt -98.65 128.52 32.5 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.383 -175.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 9.2 Cg_exo -72.46 145.09 41.9 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.088 2.526 . . . . 0.0 111.982 175.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.9 mt -94.32 -10.46 32.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.95 -178.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -112.37 28.9 8.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.033 0.444 . . . . 0.0 110.706 -175.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.58 133.19 4.92 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.779 -177.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.3 167.88 14.37 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.095 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.5 mt -86.06 150.48 24.42 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 177.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -69.43 125.34 26.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.405 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -93.53 114.21 26.51 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 177.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 25.0 m -99.89 109.55 21.93 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.979 0.419 . . . . 0.0 110.244 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -104.28 135.41 45.8 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.493 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.83 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 0.8 OUTLIER -74.75 131.63 40.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.717 178.888 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.2 mt -121.09 157.92 29.03 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.096 -176.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -83.82 155.74 22.83 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.372 -0.831 . . . . 0.0 108.873 174.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.1 -35.74 67.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.019 0.438 . . . . 0.0 111.443 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -70.62 -19.45 62.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.143 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -89.28 -46.37 8.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.924 178.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.417 ' HA ' ' HB2' ' A' ' 63' ' ' LEU . 69.5 t80 -66.25 -18.57 65.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.719 -178.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -61.88 -22.67 65.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.037 177.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -107.65 -2.41 20.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.213 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.417 ' HB2' ' HA ' ' A' ' 60' ' ' TYR . 2.0 mm? -78.36 133.68 37.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.1 0.476 . . . . 0.0 110.951 -176.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.443 ' HB ' ' HB2' ' A' ' 67' ' ' ASP . 15.1 m -123.09 116.59 23.72 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.749 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.64 127.52 26.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.972 0.415 . . . . 0.0 110.366 176.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.91 -15.64 62.66 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.262 -177.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.443 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 22.5 t70 -75.65 96.78 3.64 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.148 0.499 . . . . 0.0 110.386 -178.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -64.59 122.18 16.21 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.255 172.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.486 ' O ' ' HA ' ' A' ' 8' ' ' GLN . . . -161.29 -170.8 26.45 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.334 -173.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.9 m -92.42 131.83 37.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.131 0.491 . . . . 0.0 111.592 -171.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.684 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 64.4 tp -117.37 125.67 51.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.164 178.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.5 m -108.67 104.85 14.23 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 176.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -134.24 144.29 48.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.027 0.442 . . . . 0.0 110.145 176.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -110.64 102.07 10.67 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.647 -175.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.45 -114.26 5.06 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.426 -0.892 . . . . 0.0 111.313 -176.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.5 p -109.56 11.13 24.95 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.253 0.549 . . . . 0.0 110.577 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -108.31 111.62 23.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.204 -176.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -62.97 130.79 46.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.394 178.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 88.3 t -106.64 -57.44 4.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -168.88 142.67 7.53 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.395 -0.907 . . . . 0.0 112.802 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -112.74 136.81 51.91 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 176.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 48.7 t -122.3 104.49 14.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.635 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.0 m -57.38 125.79 24.41 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 169.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -54.29 -61.97 1.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.595 0.559 . . . . 0.0 111.99 -165.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 26.6 m 49.01 84.35 0.2 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 123.819 0.7 . . . . 0.0 111.979 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -66.3 157.54 59.57 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 122.332 2.022 . . . . 0.0 111.307 177.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.408 ' OD1' ' HB2' ' A' ' 89' ' ' GLU . 13.1 t70 -56.47 -47.18 79.75 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.566 ' ND2' ' HB3' ' A' ' 91' ' ' GLU . 3.1 t30 62.2 33.02 17.05 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.067 168.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.408 ' HB2' ' OD1' ' A' ' 87' ' ' ASP . 17.0 tp10 -69.71 -28.65 66.0 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.121 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.8 tp -68.02 -32.88 73.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.817 -177.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.566 ' HB3' ' ND2' ' A' ' 88' ' ' ASN . 0.7 OUTLIER -97.39 109.82 22.5 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 176.718 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -82.13 36.89 0.47 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -163.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.505 ' HB2' ' OE2' ' A' ' 91' ' ' GLU . 66.7 m-70 -121.9 -13.37 8.25 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 167.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 76.34 -22.26 0.28 Allowed 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 114.924 -1.034 . . . . 0.0 110.348 -175.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.453 ' H ' ' C ' ' A' ' 93' ' ' HIS . 0.8 OUTLIER -157.88 149.77 21.94 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 123.508 0.723 . . . . 0.0 109.352 172.237 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -69.04 122.61 19.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.787 0.327 . . . . 0.0 111.367 -173.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.227 -0.892 . . . . 0.0 109.179 177.021 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.1 mmm . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 120.718 0.294 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.29 163.26 24.98 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.53 -36.06 93.65 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.347 2.032 . . . . 0.0 111.518 174.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.476 HD21 ' OG ' ' A' ' 72' ' ' SER . 36.2 tp -82.0 122.91 28.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.744 173.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -85.73 112.57 21.18 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.054 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 97.1 mt-30 -106.85 113.36 26.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.643 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -116.53 137.37 52.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.16 176.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.466 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 85.1 mt-30 -89.38 103.15 15.8 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 171.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.8 m -108.56 167.51 3.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.964 -171.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.76 ' HB ' ' HB3' ' A' ' 43' ' ' LYS . 46.4 t -101.66 120.34 51.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.24 178.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 38.9 t -73.33 93.96 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 169.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.3 p -71.09 -45.92 62.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.936 -170.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -178.09 160.3 1.39 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.77 0.319 . . . . 0.0 110.275 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.424 ' HD3' ' OH ' ' A' ' 60' ' ' TYR . 24.0 pttm -70.91 146.82 49.32 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 170.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.487 ' O ' ' HB2' ' A' ' 39' ' ' GLU . 26.8 ttm180 -158.11 155.1 28.58 Favored 'General case' 0 C--N 1.312 -1.06 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.105 -178.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.559 ' O ' ' HD3' ' A' ' 18' ' ' PRO . 29.4 tt0 -142.84 112.37 6.8 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 173.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 28.6 mtpp -95.82 95.4 1.83 Allowed Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 172.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.559 ' HD3' ' O ' ' A' ' 16' ' ' GLU . 10.0 Cg_exo -70.78 105.56 1.68 Allowed 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 122.93 2.42 . . . . 0.0 112.717 -169.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.443 HG12 ' H ' ' A' ' 21' ' ' ASP . 48.5 t -70.09 125.33 28.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 170.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -59.79 -29.87 68.51 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.828 0.347 . . . . 0.0 110.693 -177.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.443 ' H ' HG12 ' A' ' 19' ' ' VAL . 35.9 t70 -82.02 81.97 7.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.32 0.581 . . . . 0.0 110.775 177.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -131.29 84.26 2.17 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.444 173.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -96.83 121.34 38.58 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.123 0.487 . . . . 0.0 111.244 -176.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.0 t -88.17 101.81 14.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.491 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -85.29 130.76 34.53 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.661 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 60.44 19.34 9.03 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.625 0.578 . . . . 0.0 111.461 178.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 63.55 96.78 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 O-C-N 123.96 0.788 . . . . 0.0 112.135 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -75.13 125.14 28.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.619 174.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.5 t -55.77 -36.8 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.363 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.1 m 65.86 87.12 0.12 Allowed Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.431 176.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo -73.89 25.07 0.33 Allowed 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 123.432 2.755 . . . . 0.0 112.703 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -104.58 5.28 33.69 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.358 0.599 . . . . 0.0 109.867 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.74 -46.82 1.11 Allowed Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.801 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.439 HG23 ' H ' ' A' ' 36' ' ' MET . 14.8 t -168.86 -155.84 0.15 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.8 m -57.37 -29.67 64.25 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -177.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.439 ' H ' HG23 ' A' ' 34' ' ' THR . 62.4 mtm -77.06 141.71 40.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.792 0.33 . . . . 0.0 110.956 -178.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -105.61 141.13 37.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.985 177.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -106.94 104.15 13.76 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.91 0.386 . . . . 0.0 110.289 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.885 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 32.1 mt-10 -103.66 153.63 20.42 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.52 135.31 54.47 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.037 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.1 t -97.38 122.43 40.41 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.445 -177.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -103.0 124.45 48.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.22 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.76 ' HB3' ' HB ' ' A' ' 10' ' ' VAL . 28.0 tptp -95.02 115.6 65.55 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.039 -176.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -75.33 139.43 23.45 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.623 2.215 . . . . 0.0 111.46 174.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.1 mt -92.41 -12.83 31.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.083 0.468 . . . . 0.0 110.978 -177.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -93.87 25.11 3.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.275 -171.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.75 117.93 0.47 Allowed Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.172 -178.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.33 171.17 17.69 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.493 -0.86 . . . . 0.0 112.376 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.9 mt -85.0 160.12 20.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.729 0.299 . . . . 0.0 110.435 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -65.78 142.86 57.82 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.483 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -100.64 106.76 18.27 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.596 173.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.7 m -93.09 120.72 33.69 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.298 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -113.21 138.15 50.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.809 0.338 . . . . 0.0 111.054 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.885 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 51.4 ttp180 -74.04 127.06 31.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.695 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.4 mt -123.64 161.14 25.65 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.019 0.438 . . . . 0.0 111.056 -178.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -93.96 175.76 6.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.764 173.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.71 -52.8 64.15 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -173.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -66.7 -31.92 72.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.112 -177.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -67.24 -43.89 80.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.95 0.405 . . . . 0.0 109.995 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.424 ' OH ' ' HD3' ' A' ' 14' ' ' LYS . 79.8 t80 -62.91 -28.99 70.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.225 179.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 56.3 m170 -60.34 -29.59 68.99 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.727 0.299 . . . . 0.0 111.151 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.3 -29.0 23.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.959 0.409 . . . . 0.0 110.974 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -72.5 105.37 4.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.356 0.598 . . . . 0.0 111.085 -178.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.9 m -98.97 118.81 36.6 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.443 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.89 131.68 28.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.008 0.432 . . . . 0.0 111.179 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.76 -19.32 49.05 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.188 -178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -80.43 91.55 5.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.232 0.539 . . . . 0.0 109.943 -177.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -64.71 138.13 58.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.035 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.815 ' HA3' ' HA ' ' A' ' 83' ' ' SER . . . -161.43 -177.93 34.94 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.467 -178.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.9 m -90.57 140.14 30.03 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.01 0.433 . . . . 0.0 110.82 -174.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 66.0 tp -117.34 128.25 54.86 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.182 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.476 ' OG ' HD21 ' A' ' 4' ' ' LEU . 45.5 t -99.69 100.65 11.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.561 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -132.33 143.11 49.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.165 0.507 . . . . 0.0 110.649 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -136.72 110.62 8.2 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 176.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.24 -114.89 3.91 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.261 -0.971 . . . . 0.0 110.692 -172.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.5 t -126.02 -5.5 6.77 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.914 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 77' ' ' ARG . 22.0 ttt180 -86.21 131.29 34.27 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.203 0.525 . . . . 0.0 111.149 -178.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -68.84 112.82 5.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.873 175.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.0 t -87.13 -52.65 11.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.171 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -171.98 170.61 43.56 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.853 178.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' A' ' 83' ' ' SER . 79.4 t80 -137.07 120.61 17.14 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 45.7 t -124.39 93.59 2.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.619 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.815 ' HA ' ' HA3' ' A' ' 69' ' ' GLY . 8.7 t -80.98 -174.66 4.97 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.048 -178.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -74.32 -23.34 59.05 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.0 141.64 89.61 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.971 175.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -75.08 -177.21 3.32 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.708 2.272 . . . . 0.0 111.59 175.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.53 -48.95 76.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.892 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 60.04 28.92 18.52 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.722 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -63.51 -40.62 97.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.74 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.1 mt -74.36 -22.81 59.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.835 178.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 58.17 91.18 0.04 OUTLIER 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.611 -176.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -78.3 95.11 4.94 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 170.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -64.07 -33.84 76.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.042 -176.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -106.7 101.56 11.0 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.57 171.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -70.21 133.71 47.34 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 176.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -71.76 -39.55 69.93 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 167.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 . . . . . 0 C--O 1.243 0.755 0 CA-C-N 114.098 -1.41 . . . . 0.0 109.056 169.294 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.23 103.12 40.61 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 177.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -83.16 -17.48 6.66 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.619 2.213 . . . . 0.0 113.053 -177.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.567 HD21 ' HB3' ' A' ' 72' ' ' SER . 19.0 tp -108.71 121.82 45.84 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -178.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -86.58 122.42 30.48 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.515 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 94.9 mt-30 -128.25 126.64 41.3 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.279 -177.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -137.29 146.83 45.16 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.31 171.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 91.3 mt-30 -80.19 121.76 25.99 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 174.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.531 HG21 ' HB3' ' A' ' 42' ' ' PHE . 16.8 m -125.1 164.83 23.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.798 -177.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.573 HG22 ' HG2' ' A' ' 68' ' ' GLN . 26.3 t -101.86 123.76 55.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.496 177.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.2 t -76.07 85.15 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 170.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.2 m -77.09 -52.25 9.62 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -169.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -148.36 157.09 43.26 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.405 -171.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.562 ' HD3' ' OH ' ' A' ' 60' ' ' TYR . 54.6 pttt -93.29 148.71 21.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.53 176.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.48 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 5.9 mmm180 -134.21 167.63 20.34 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.713 0.292 . . . . 0.0 110.885 -175.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -146.72 105.12 3.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.164 177.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -113.5 96.9 41.82 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 169.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.36 145.08 70.36 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.668 2.245 . . . . 0.0 111.177 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.0 t -84.35 81.46 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 CA-C-O 120.905 0.383 . . . . 0.0 110.707 -177.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -82.37 91.84 6.89 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 173.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -104.29 -60.05 1.64 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.333 -168.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 -135.47 -76.64 0.44 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.155 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -173.18 95.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.602 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.9 m -80.68 128.78 34.02 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -75.32 120.94 21.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.258 0.552 . . . . 0.0 110.77 -175.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -97.74 105.85 18.07 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.948 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -65.38 149.85 49.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.409 -175.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.417 ' O ' ' HB ' ' A' ' 29' ' ' VAL . 49.5 tt0 -78.67 118.52 20.84 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.359 -178.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.421 ' O ' ' HD3' ' A' ' 31' ' ' PRO . 91.2 t 77.21 -44.6 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.621 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.407 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 30.0 t -72.58 108.14 3.97 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 120.857 0.36 . . . . 0.0 111.628 -177.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 29' ' ' VAL . 83.9 Cg_endo -104.04 30.72 0.07 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 124.2 3.267 . . . . 0.0 112.462 178.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.07 -5.03 55.15 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -174.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.27 15.55 54.16 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.516 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.1 m -91.25 97.05 10.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.052 0.453 . . . . 0.0 111.251 -178.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.1 t -119.29 99.1 6.49 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 80.0 mtp -78.99 109.36 13.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.248 0.547 . . . . 0.0 111.505 -178.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.1 mtt85 -95.95 107.52 19.8 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.622 175.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -72.98 176.27 5.89 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.529 -177.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.48 ' HB2' ' HB2' ' A' ' 15' ' ' ARG . 53.9 mt-10 -132.34 148.12 52.42 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 174.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.19 128.7 48.76 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.413 ' OG ' ' HG3' ' A' ' 15' ' ' ARG . 54.2 m -94.39 121.21 35.69 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.211 0.529 . . . . 0.0 110.347 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.531 ' HB3' HG21 ' A' ' 9' ' ' VAL . 88.9 m-85 -102.6 116.79 33.3 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.398 -0.819 . . . . 0.0 108.973 177.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.479 ' HA ' ' HG3' ' A' ' 50' ' ' GLU . 86.9 tttt -94.86 119.92 65.32 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.117 -171.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 26.7 Cg_exo -62.66 136.33 57.61 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 123.061 2.507 . . . . 0.0 111.485 176.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.7 mt -72.6 -25.42 61.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.675 -176.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -93.57 16.28 14.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.397 0.617 . . . . 0.0 110.522 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.39 158.56 7.14 Favored Glycine 0 C--N 1.317 -0.483 0 CA-C-N 115.266 -0.879 . . . . 0.0 112.632 -177.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.35 -147.29 17.51 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.478 177.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.7 tp -98.34 121.62 40.5 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 174.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.479 ' HG3' ' HA ' ' A' ' 43' ' ' LYS . 2.2 mp0 -59.43 128.5 37.35 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.446 179.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.47 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 57.1 mttp -82.32 102.92 11.53 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.902 -178.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.447 HG22 ' HB3' ' A' ' 39' ' ' GLU . 19.0 m -98.97 107.46 19.89 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.416 -178.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.47 ' CE2' ' HB3' ' A' ' 51' ' ' LYS . 92.5 m-85 -105.86 134.24 49.3 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.537 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.443 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 35.7 ttp180 -77.45 126.4 30.85 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.927 177.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.1 mt -123.87 162.99 22.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.17 -172.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -84.91 160.2 20.17 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 175.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.07 -47.29 65.24 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -177.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -63.85 -33.54 75.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.93 0.395 . . . . 0.0 111.441 -178.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -76.22 -37.88 57.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.429 -178.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.562 ' OH ' ' HD3' ' A' ' 14' ' ' LYS . 48.4 t80 -67.51 -22.87 65.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.355 176.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -85.73 -19.63 30.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.647 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.6 -52.46 8.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.89 -177.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.5 pp -90.26 142.37 27.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.984 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.3 m -111.71 143.21 42.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.956 0.407 . . . . 0.0 111.699 -171.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.5 t -62.34 132.74 28.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.575 175.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.15 -9.14 76.98 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.945 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -79.69 93.45 5.54 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.209 0.528 . . . . 0.0 110.526 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.573 ' HG2' HG22 ' A' ' 10' ' ' VAL . 81.1 mt-30 -67.24 117.58 9.45 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.434 173.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 8' ' ' GLN . . . -161.31 179.58 36.64 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.275 -0.964 . . . . 0.0 112.937 -175.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.2 m -79.91 136.13 36.59 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.08 0.467 . . . . 0.0 111.505 -172.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.515 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 60.4 tp -117.33 122.6 44.35 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.567 ' HB3' HD21 ' A' ' 4' ' ' LEU . 14.5 m -103.4 119.57 39.14 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.22 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.497 ' HA ' HG23 ' A' ' 79' ' ' VAL . 39.8 p90 -149.13 162.43 40.0 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.75 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -128.97 101.11 5.92 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.364 176.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.27 -114.03 5.76 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.536 -0.84 . . . . 0.0 111.461 -176.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.2 p -96.16 -7.58 35.44 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.898 0.38 . . . . 0.0 111.356 178.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 38.3 ttt85 -86.67 115.73 24.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.109 0.48 . . . . 0.0 111.883 -173.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -70.24 109.1 4.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.221 -0.899 . . . . 0.0 109.564 173.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.497 HG23 ' HA ' ' A' ' 73' ' ' TYR . 57.6 t -86.96 -45.64 16.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.815 0.341 . . . . 0.0 110.29 -178.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 168.49 148.18 5.64 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.64 177.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -95.54 132.43 40.67 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 48.2 t -116.45 106.28 19.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.4 t -66.46 146.77 54.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.98 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -66.73 -31.44 72.09 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.216 0.532 . . . . 0.0 109.602 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.9 m -98.5 123.15 51.24 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.152 172.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -57.06 151.54 49.71 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.595 2.197 . . . . 0.0 112.343 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -60.08 -20.88 60.33 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.33 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.604 ' O ' ' HB2' ' A' ' 89' ' ' GLU . 88.7 m-20 -126.99 147.46 50.12 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 174.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.604 ' HB2' ' O ' ' A' ' 88' ' ' ASN . 21.7 mt-10 77.97 53.52 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 O-C-N 124.14 0.9 . . . . 0.0 110.119 -170.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.99 91.77 0.89 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.152 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -59.3 -32.7 70.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.08 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -114.65 101.4 9.06 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 174.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -67.21 -36.11 81.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.22 0.533 . . . . 0.0 110.103 -174.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -101.47 114.45 28.48 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 167.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -63.57 -43.5 96.83 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -111.01 112.2 23.85 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.615 175.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 51.7 p-80 . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.14 -179.781 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.435 ' O ' ' HD3' ' A' ' 3' ' ' PRO . 68.4 mtt . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.69 110.98 14.6 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 123.235 0.334 . . . . 0.0 110.512 -178.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 1' ' ' MET . 94.0 Cg_endo -88.71 163.04 6.33 Favored 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 122.739 2.293 . . . . 0.0 112.143 -179.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.518 HD12 ' HB3' ' A' ' 72' ' ' SER . 1.7 pt? -102.79 146.4 28.31 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 174.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -97.52 128.56 44.37 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 120.774 0.321 . . . . 0.0 110.197 -177.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.476 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 93.4 mt-30 -116.53 109.26 17.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.189 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.7 tttm -134.52 165.04 26.12 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -87.7 116.74 26.04 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.413 HG21 HD22 ' A' ' 71' ' ' LEU . 35.0 m -124.69 164.74 22.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.984 0.421 . . . . 0.0 110.752 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.537 HG22 ' HG2' ' A' ' 68' ' ' GLN . 21.7 t -106.74 122.57 60.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.426 177.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.2 t -74.73 97.51 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 170.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.3 p -78.31 -55.43 5.25 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.459 0.541 . . . . 0.0 112.459 -168.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -157.81 169.07 25.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.128 0.489 . . . . 0.0 111.552 -176.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 39' ' ' GLU . 27.0 ttpp -87.3 147.06 25.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.414 174.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.781 ' HD3' HG21 ' A' ' 52' ' ' THR . 64.6 ttt180 -127.24 161.99 27.26 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -146.8 102.71 3.57 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.866 -175.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.504 ' HG3' ' OE1' ' A' ' 39' ' ' GLU . 60.4 mttp -89.68 129.0 48.38 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.373 176.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 3.0 Cg_exo -77.18 108.66 2.66 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 123.107 2.538 . . . . 0.0 111.02 171.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.5 t -74.33 117.55 18.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.96 0.41 . . . . 0.0 111.033 -177.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -126.16 142.59 51.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.736 177.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.447 ' OD2' ' HG3' ' A' ' 23' ' ' ARG . 7.9 t70 -95.31 -166.0 1.39 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.405 ' H ' ' CG ' ' A' ' 21' ' ' ASP . 19.7 mtm105 -114.21 12.69 17.8 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.131 0.491 . . . . 0.0 110.431 -176.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.447 ' HG3' ' OD2' ' A' ' 21' ' ' ASP . 62.2 mtt180 -92.15 155.44 18.03 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.382 -176.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.9 m -73.52 163.8 27.53 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.653 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 25' ' ' ARG . 61.4 mtt180 -64.15 -19.22 65.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.445 -179.173 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -68.41 -26.0 65.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.116 0.484 . . . . 0.0 110.509 176.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -101.38 109.56 21.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.284 -178.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.73 141.82 29.44 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -179.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.7 p -82.19 -35.59 13.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.766 -0.197 . . . . 0.0 110.899 -175.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.2 m 57.63 81.29 0.26 Allowed Pre-proline 0 C--O 1.235 0.331 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.807 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -70.12 129.31 17.0 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 123.006 2.471 . . . . 0.0 111.846 178.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -136.6 83.49 2.01 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.302 0.573 . . . . 0.0 110.071 -178.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.41 67.06 0.8 Allowed Glycine 0 N--CA 1.444 -0.793 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.286 -176.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.6 m -109.74 102.83 11.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.091 0.472 . . . . 0.0 110.778 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.0 m -73.29 135.08 44.38 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.345 176.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 91.8 mmm -62.81 121.14 12.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.079 0.466 . . . . 0.0 110.696 -178.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -94.12 118.42 31.51 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.708 -175.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -110.78 130.05 55.68 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 175.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.59 ' HG2' ' HG2' ' A' ' 54' ' ' ARG . 42.7 mt-10 -103.33 147.47 27.04 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.091 -177.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.56 132.06 56.21 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.3 t -94.75 121.7 36.6 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -102.65 111.71 24.15 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.933 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.457 ' HA ' ' HG2' ' A' ' 50' ' ' GLU . 40.3 tttp -95.18 115.34 65.33 Favored Pre-proline 0 C--N 1.317 -0.835 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.07 -176.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -70.64 141.34 41.41 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.471 2.114 . . . . 0.0 111.745 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.6 mt -72.22 -14.56 61.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.34 0.591 . . . . 0.0 109.805 175.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -93.65 106.88 18.82 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 169.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -38.17 123.4 1.29 Allowed Glycine 0 CA--C 1.518 0.277 0 O-C-N 124.359 1.037 . . . . 0.0 114.275 -175.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.51 -157.79 21.12 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 39.3 mt -88.24 134.34 33.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.159 0.504 . . . . 0.0 111.251 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.457 ' HG2' ' HA ' ' A' ' 43' ' ' LYS . 49.7 mt-10 -69.24 130.42 42.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.735 174.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -97.1 111.74 23.83 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.167 0.508 . . . . 0.0 110.497 -175.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.781 HG21 ' HD3' ' A' ' 15' ' ' ARG . 19.4 m -90.43 120.9 31.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.061 -177.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -113.63 145.37 41.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.252 176.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.59 ' HG2' ' HG2' ' A' ' 39' ' ' GLU . 46.6 mtm105 -87.22 125.09 33.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.129 0.49 . . . . 0.0 111.338 -178.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.6 mt -119.25 161.92 19.58 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.535 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -101.58 179.11 4.44 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 173.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.07 -58.89 5.21 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -176.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -62.64 -29.65 70.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.507 -177.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -77.33 -44.76 28.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.895 -177.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -66.42 -29.32 69.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.173 0.511 . . . . 0.0 110.001 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -66.87 -18.98 65.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.624 176.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -101.39 4.57 41.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.015 0.436 . . . . 0.0 110.773 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -108.8 104.11 13.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.11 0.481 . . . . 0.0 110.487 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 23.5 m -81.03 106.63 13.19 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.94 -178.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 46.4 t -64.21 126.74 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.538 176.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.72 -17.33 57.62 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.811 -176.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -77.92 95.27 4.73 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.325 0.583 . . . . 0.0 110.124 -178.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.537 ' HG2' HG22 ' A' ' 10' ' ' VAL . 53.2 mt-30 -66.51 114.32 5.39 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.198 173.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.22 -170.83 26.4 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 119.957 -1.116 . . . . 0.0 113.038 -171.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.7 m -82.35 129.44 34.87 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.033 0.444 . . . . 0.0 111.464 -170.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.476 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 68.5 tp -117.41 126.25 52.34 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.887 177.224 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.518 ' HB3' HD12 ' A' ' 4' ' ' LEU . 18.3 m -108.74 122.21 46.67 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.71 177.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.9 p90 -148.0 142.11 26.04 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.999 0.428 . . . . 0.0 110.63 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.426 ' HE3' ' HB2' ' A' ' 74' ' ' LYS . 36.6 ttmt -116.23 105.29 12.4 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 -179.16 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.25 -114.33 4.67 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.37 -0.919 . . . . 0.0 110.967 -174.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.5 p -114.28 13.22 17.83 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.071 0.462 . . . . 0.0 110.544 176.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -102.6 126.45 49.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.181 0.515 . . . . 0.0 111.261 -178.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -70.0 117.58 11.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.4 177.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 99.6 t -91.99 -50.6 12.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.238 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 176.01 150.09 7.88 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.169 178.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -117.5 124.21 48.19 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 178.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 44.3 t -100.23 97.19 5.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.095 -178.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.8 m -70.81 150.17 46.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.321 177.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -59.8 101.48 0.12 Allowed 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.534 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 28.6 m -73.1 112.47 15.68 Favored Pre-proline 0 N--CA 1.44 -0.94 0 CA-C-O 121.265 0.555 . . . . 0.0 110.266 -178.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -87.97 86.43 0.63 Allowed 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 122.613 2.209 . . . . 0.0 112.259 -177.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -65.2 128.21 34.89 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 175.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.44 -22.97 64.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.456 -169.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -97.5 -1.05 44.93 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -175.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 38.5 mt -126.58 115.4 19.45 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.405 0.622 . . . . 0.0 111.586 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -84.01 122.59 28.99 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.878 178.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -86.71 91.6 8.67 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.866 0.365 . . . . 0.0 110.506 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -88.66 145.83 25.43 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.407 ' HB2' ' H ' ' A' ' 97' ' ' HIS . 60.6 m-70 -117.42 172.96 6.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.312 0.577 . . . . 0.0 111.03 -177.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -91.46 18.26 7.51 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.771 0.796 . . . . 0.0 109.195 172.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -128.58 -38.6 1.71 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.52 -1.218 . . . . 0.0 108.658 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.407 ' H ' ' HB2' ' A' ' 94' ' ' HIS . 81.1 t60 . . . . . 0 C--O 1.252 1.198 0 CA-C-O 118.324 -0.846 . . . . 0.0 109.197 170.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 110.508 -0.182 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 60.53 86.78 0.15 Allowed Pre-proline 0 N--CA 1.463 0.18 0 O-C-N 123.63 0.581 . . . . 0.0 111.608 -178.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -70.02 -22.23 31.18 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.657 2.238 . . . . 0.0 112.618 176.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.435 HD21 ' OG ' ' A' ' 72' ' ' SER . 13.3 tp -70.79 114.29 8.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.042 179.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -98.86 112.3 24.44 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 178.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.61 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 90.6 mt-30 -102.71 112.2 24.87 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.336 0.589 . . . . 0.0 110.737 -178.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.672 ' HB3' ' HE2' ' A' ' 73' ' ' TYR . 15.8 tppt? -115.01 127.84 55.91 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.335 179.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -76.63 124.88 28.3 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.47 0.653 . . . . 0.0 109.923 176.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.57 HG21 ' HB3' ' A' ' 42' ' ' PHE . 16.1 m -132.13 165.16 32.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.158 -173.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.509 HG22 ' HG2' ' A' ' 68' ' ' GLN . 16.9 t -101.72 126.05 55.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.789 175.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.3 t -73.62 92.25 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.147 -1.056 . . . . 0.0 108.147 169.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.7 p -68.89 -46.88 67.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.938 -169.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -168.21 149.3 5.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.398 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.442 ' HD3' ' CZ ' ' A' ' 60' ' ' TYR . 60.7 pttt -90.83 120.73 32.1 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 173.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.4 mtt-85 -110.28 144.17 39.39 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.68 -173.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.456 ' O ' ' HD3' ' A' ' 18' ' ' PRO . 32.2 tt0 -96.03 94.43 7.57 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 172.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -100.65 107.58 49.48 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-O 121.004 0.43 . . . . 0.0 111.736 -178.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.456 ' HD3' ' O ' ' A' ' 16' ' ' GLU . 47.6 Cg_endo -89.42 105.45 0.39 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 122.686 2.257 . . . . 0.0 110.694 172.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.502 HG21 HH22 ' A' ' 54' ' ' ARG . 34.0 t -73.2 -73.74 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.272 -175.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 52.27 69.91 0.62 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.659 0.742 . . . . 0.0 110.425 -176.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -66.55 166.96 11.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.181 -177.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.6 ttt-85 -62.11 -22.09 65.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.227 0.536 . . . . 0.0 110.452 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.3 ttm-85 -67.72 -33.46 74.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.385 177.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.5 p -97.45 125.0 41.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.793 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.7 mtm-85 -124.04 179.93 4.66 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.878 -178.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -75.55 4.92 6.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.827 0.346 . . . . 0.0 111.259 -178.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -78.83 -15.85 57.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.327 0.584 . . . . 0.0 109.604 172.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -88.78 135.15 33.67 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.438 173.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.559 ' O ' ' HD3' ' A' ' 31' ' ' PRO . 44.4 t -86.36 -29.65 6.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.121 0.486 . . . . 0.0 110.375 -179.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.8 t -114.69 80.13 6.18 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.274 177.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.559 ' HD3' ' O ' ' A' ' 29' ' ' VAL . 3.9 Cg_exo -82.85 -24.68 3.24 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 123.106 2.538 . . . . 0.0 110.815 176.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -166.6 92.98 0.47 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.88 -1.055 . . . . 0.0 109.987 178.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.42 -51.86 56.19 Favored Glycine 0 C--N 1.331 0.254 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 174.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.9 m -84.04 97.57 9.37 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 170.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.0 t -63.76 -36.75 84.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.186 0.517 . . . . 0.0 110.294 -176.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 86.3 mtp -94.61 79.51 3.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.645 175.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -72.24 112.69 8.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.261 178.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.452 ' HB2' ' O ' ' A' ' 55' ' ' LEU . 25.0 m-85 -82.64 118.74 23.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.414 -177.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.476 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 21.4 mt-10 -122.3 144.81 48.77 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.209 172.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.48 132.96 56.22 Favored 'General case' 0 C--N 1.316 -0.887 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.391 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.635 ' HB3' ' HB3' ' A' ' 50' ' ' GLU . 48.8 m -94.57 124.22 38.47 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.126 178.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.57 ' HB3' HG21 ' A' ' 9' ' ' VAL . 92.0 m-85 -102.85 112.39 25.18 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.83 178.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 87.7 tttt -99.51 117.55 63.61 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.372 -175.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.536 ' HA ' HG12 ' A' ' 9' ' ' VAL . 26.5 Cg_exo -62.35 136.22 58.29 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.847 2.364 . . . . 0.0 112.555 -177.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.31 -33.86 76.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.872 -178.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -93.68 18.87 9.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.099 0.476 . . . . 0.0 111.2 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.68 148.29 21.81 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.639 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.401 ' HA3' ' HG2' ' A' ' 44' ' ' PRO . . . 150.08 167.12 14.0 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.982 -0.627 . . . . 0.0 112.079 179.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.5 tp -67.12 140.33 57.55 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.599 0.238 . . . . 0.0 110.614 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.635 ' HB3' ' HB3' ' A' ' 41' ' ' SER . 45.0 mt-10 -68.51 113.56 6.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.123 0.487 . . . . 0.0 110.229 176.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 44.8 mttp -83.81 110.75 18.6 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.42 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.476 ' CG2' ' HB3' ' A' ' 39' ' ' GLU . 36.7 m -97.82 119.31 36.19 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.245 -178.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -123.85 159.83 28.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.993 -178.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.502 HH22 HG21 ' A' ' 19' ' ' VAL . 7.8 mmt85 -77.09 126.99 31.87 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.346 -178.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.452 ' O ' ' HB2' ' A' ' 38' ' ' TYR . 40.5 mt -134.82 132.64 38.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.03 0.443 . . . . 0.0 110.971 178.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -86.13 166.44 15.78 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.084 175.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.09 -39.5 82.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.915 0.388 . . . . 0.0 111.109 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -63.34 -35.55 80.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.743 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -77.15 -47.94 19.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.694 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.472 ' HA ' HD21 ' A' ' 63' ' ' LEU . 79.5 t80 -61.75 -23.98 66.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.201 -178.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -55.8 -21.46 19.53 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.41 177.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.55 -6.67 49.15 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -174.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.472 HD21 ' HA ' ' A' ' 60' ' ' TYR . 1.2 pt? -137.71 156.37 48.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.173 0.511 . . . . 0.0 111.515 -178.129 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.416 ' HB ' ' HB2' ' A' ' 67' ' ' ASP . 13.7 m -123.25 146.41 47.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.591 -178.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.3 t -63.81 123.59 16.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.881 0.372 . . . . 0.0 110.215 174.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.4 -18.26 56.63 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.824 -176.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.416 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 28.2 t70 -77.1 94.42 4.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.169 0.509 . . . . 0.0 110.218 -177.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.509 ' HG2' HG22 ' A' ' 10' ' ' VAL . 77.1 mt-30 -64.64 131.8 47.96 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.296 176.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.33 -175.26 32.16 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.009 -177.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.564 ' HB ' ' HB ' ' A' ' 82' ' ' VAL . 18.2 m -90.27 141.84 28.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.637 0.256 . . . . 0.0 110.71 -173.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.61 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 58.8 tp -117.37 120.68 38.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.984 0.421 . . . . 0.0 110.92 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.435 ' OG ' HD21 ' A' ' 4' ' ' LEU . 47.5 t -92.11 109.29 20.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.534 177.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.672 ' HE2' ' HB3' ' A' ' 7' ' ' LYS . 41.8 p90 -143.55 166.24 25.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.17 0.51 . . . . 0.0 111.165 -179.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -131.89 88.85 2.61 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 172.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.56 -114.26 3.83 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 -172.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.3 p -105.42 3.08 29.24 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.178 0.513 . . . . 0.0 110.434 174.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.0 mtm180 -77.8 109.72 12.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.782 177.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -76.43 104.63 7.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.394 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.5 t -83.21 -44.22 18.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.106 178.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 169.08 152.96 8.07 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.4 176.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -94.16 133.85 37.23 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 176.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.564 ' HB ' ' HB ' ' A' ' 70' ' ' THR . 25.4 t -105.75 93.54 2.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.109 0.481 . . . . 0.0 110.531 -176.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.3 m -75.58 152.32 37.73 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.496 175.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -68.48 -22.75 64.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.636 0.255 . . . . 0.0 111.155 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.2 t -150.44 103.66 3.1 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 121.465 0.65 . . . . 0.0 110.217 173.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -93.69 -178.64 0.73 Allowed 'Trans proline' 0 N--CA 1.454 -0.815 0 C-N-CA 123.124 2.55 . . . . 0.0 113.451 -178.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -75.93 -14.66 60.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.707 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -54.71 -42.98 72.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.943 -176.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -96.37 7.09 47.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.783 -173.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 86.2 mt -120.42 125.12 47.14 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.86 0.362 . . . . 0.0 110.363 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -83.43 136.79 34.18 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 177.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -63.58 -50.9 67.65 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.649 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.451 ' HD2' ' HB2' ' A' ' 94' ' ' HIS . 5.3 t60 47.31 -94.07 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.718 0 O-C-N 124.248 0.967 . . . . 0.0 112.223 170.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.451 ' HB2' ' HD2' ' A' ' 93' ' ' HIS . 5.8 m170 -157.68 137.85 12.6 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -103.13 113.78 27.53 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.086 0.469 . . . . 0.0 110.43 178.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -69.32 129.01 38.6 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.952 -177.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 45.5 m80 . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.418 -0.801 . . . . 0.0 108.909 173.903 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.4 mmm . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 120.847 0.355 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.37 149.52 6.46 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.752 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -62.77 -21.45 73.04 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.557 2.172 . . . . 0.0 111.507 176.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.43 HD11 HG21 ' A' ' 79' ' ' VAL . 16.3 tp -87.59 103.98 16.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.16 175.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -80.9 120.55 24.87 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -177.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.56 ' HG2' ' HA ' ' A' ' 72' ' ' SER . 93.2 mt-30 -136.86 144.49 43.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.756 -175.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.506 ' HG2' ' N ' ' A' ' 8' ' ' GLN . 51.7 tttm -168.76 164.99 12.02 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 168.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.506 ' N ' ' HG2' ' A' ' 7' ' ' LYS . 59.0 tt0 -76.0 119.45 19.97 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 175.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.1 m -120.83 178.6 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.085 -177.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.7 t -113.03 120.09 62.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.021 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.5 t -76.08 96.59 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 168.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.5 p -85.61 -39.81 16.92 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -164.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -162.95 172.21 15.4 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.915 -174.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.2 pttt -124.81 141.39 52.15 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.411 ' HD3' HH11 ' A' ' 15' ' ' ARG . 51.7 mtt180 -143.21 -177.69 5.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.78 0.324 . . . . 0.0 111.315 -177.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -143.96 120.18 10.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.977 178.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 86.7 mttt -113.09 140.5 24.29 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 175.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 17' ' ' LYS . 12.8 Cg_exo -69.99 110.11 2.52 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.835 2.357 . . . . 0.0 111.905 178.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.3 t -74.64 120.15 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.611 -179.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -85.01 -54.76 4.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.641 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.436 ' HA ' HE21 ' A' ' 26' ' ' GLN . 13.7 m-20 -68.78 94.35 0.6 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.122 0.487 . . . . 0.0 110.316 179.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 66.2 mtm-85 -119.06 167.35 11.86 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.732 -177.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -89.81 10.56 23.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.391 178.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' A' ' 25' ' ' ARG . 8.1 t -129.7 36.77 4.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.376 -179.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HB2' ' O ' ' A' ' 24' ' ' SER . 55.6 mtm180 71.92 163.02 0.26 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.557 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.436 HE21 ' HA ' ' A' ' 21' ' ' ASP . 96.1 mt-30 -100.87 -42.51 6.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.656 -177.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -77.37 92.95 3.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.261 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -143.21 153.98 43.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.529 176.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.495 ' O ' ' HD3' ' A' ' 31' ' ' PRO . 95.8 t -62.42 -38.21 80.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.876 0.369 . . . . 0.0 110.588 178.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.0 p -89.66 104.92 9.26 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.213 177.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.495 ' HD3' ' O ' ' A' ' 29' ' ' VAL . 60.8 Cg_endo -91.18 2.24 4.6 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 122.909 2.406 . . . . 0.0 112.721 -175.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.444 ' HB1' HH22 ' A' ' 37' ' ' ARG . . . -122.29 -75.57 0.59 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.161 -178.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.62 -174.31 29.22 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.6 -0.81 . . . . 0.0 111.965 -178.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.5 m -57.81 137.6 56.44 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 120.808 0.337 . . . . 0.0 111.479 -177.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.6 m -85.05 61.58 6.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.208 0.528 . . . . 0.0 111.024 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 96.8 mmm -103.91 -1.05 28.26 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.543 0.687 . . . . 0.0 109.226 173.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.701 ' HD2' ' O ' ' A' ' 37' ' ' ARG . 1.2 ppt_? -113.3 92.5 4.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.88 -1.054 . . . . 0.0 110.223 -178.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -95.83 168.36 10.69 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.616 -177.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.644 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 27.7 mt-10 -133.6 149.94 51.61 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.912 0.387 . . . . 0.0 110.191 173.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.65 140.0 50.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.338 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.6 t -94.57 119.25 32.95 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.501 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.407 ' CD1' ' HD2' ' A' ' 53' ' ' PHE . 94.8 m-85 -102.98 114.35 28.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.733 177.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 50.6 tttm -95.29 115.28 65.3 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.894 -177.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 6.4 Cg_exo -73.65 143.11 33.44 Favored 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 122.589 2.193 . . . . 0.0 111.492 178.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.5 mt -74.04 -14.94 61.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.444 0.64 . . . . 0.0 109.496 174.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -82.96 105.85 14.3 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 169.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -42.92 106.84 0.09 OUTLIER Glycine 0 C--N 1.333 0.414 0 O-C-N 124.276 0.985 . . . . 0.0 114.259 -173.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.71 -161.87 18.26 Favored Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.3 tp -85.89 143.14 28.39 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.753 0.311 . . . . 0.0 110.642 -178.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -72.71 140.25 47.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.444 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -102.2 126.44 49.17 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.814 0.34 . . . . 0.0 110.241 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.584 HG22 ' HB3' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -98.29 111.17 23.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.003 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.407 ' HD2' ' CD1' ' A' ' 42' ' ' PHE . 77.6 m-85 -104.98 137.35 42.86 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.832 0.349 . . . . 0.0 110.623 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.644 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 18.3 ttp180 -74.11 127.82 33.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.777 -178.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.8 mt -131.06 139.63 49.93 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.394 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -74.9 166.04 24.29 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 177.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.45 -39.37 67.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.005 0.431 . . . . 0.0 110.902 177.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -66.38 -32.95 74.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.876 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -74.58 -41.19 60.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.89 0.376 . . . . 0.0 110.651 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -67.8 -21.58 65.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.505 0.669 . . . . 0.0 110.232 176.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -78.17 -6.31 54.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.514 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -99.9 -62.71 1.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.809 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 pp -88.17 151.45 22.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.765 0.317 . . . . 0.0 110.439 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.3 m -123.1 149.36 44.58 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.839 -175.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 74.5 t -64.13 130.19 28.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.001 0.429 . . . . 0.0 110.452 177.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.51 -5.41 58.65 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.898 -176.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -73.44 97.23 2.51 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -74.21 109.95 8.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.66 172.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 8' ' ' GLN . . . -161.38 176.65 37.9 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.796 -177.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.45 142.9 44.89 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.007 0.432 . . . . 0.0 111.764 -174.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.523 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 46.6 tp -117.4 121.03 39.96 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.848 178.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.56 ' HA ' ' HG2' ' A' ' 6' ' ' GLN . 22.6 t -101.63 116.78 33.51 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.638 -178.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.674 ' HA ' HG23 ' A' ' 79' ' ' VAL . 37.9 p90 -154.74 139.72 17.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.246 0.546 . . . . 0.0 111.908 178.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -104.69 112.86 26.12 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 167.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.46 -116.79 9.48 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.38 -0.914 . . . . 0.0 111.83 -177.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.9 m -118.29 11.4 13.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.378 0.608 . . . . 0.0 110.324 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -67.24 -33.95 76.43 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.005 -175.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 75.4 t80 63.6 100.97 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.466 0.651 . . . . 0.0 110.623 -175.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.674 HG23 ' HA ' ' A' ' 73' ' ' TYR . 42.9 t -86.23 -31.92 6.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.348 0.594 . . . . 0.0 109.878 -179.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 147.12 154.18 6.13 Favored Glycine 0 N--CA 1.442 -0.939 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.331 175.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -87.32 128.8 35.18 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 175.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 45.7 t -111.95 106.48 20.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.871 0.367 . . . . 0.0 110.959 -175.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 p -77.3 62.38 2.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.463 0.649 . . . . 0.0 109.579 173.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 33.3 ttt85 -58.13 107.12 0.44 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.343 -175.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 18.4 m -114.96 104.8 53.81 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.3 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.4 164.19 35.76 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.5 2.133 . . . . 0.0 111.734 177.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.03 134.79 25.95 Favored 'General case' 0 C--O 1.237 0.42 0 O-C-N 123.408 0.443 . . . . 0.0 110.984 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -86.76 66.53 9.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.409 0.623 . . . . 0.0 111.553 -173.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -162.77 25.44 0.1 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.413 1.101 . . . . 0.0 108.05 169.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.539 ' HG ' ' H ' ' A' ' 92' ' ' HIS . 51.6 tp -127.26 134.9 50.0 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.072 -1.422 . . . . 0.0 108.657 -177.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.465 ' HA ' ' OE1' ' A' ' 91' ' ' GLU . 4.8 mm-40 -65.97 -20.07 66.07 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.473 -177.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.539 ' H ' ' HG ' ' A' ' 90' ' ' LEU . 22.7 m170 -68.44 -18.72 64.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.712 174.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -75.94 -26.79 57.2 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 175.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -94.49 11.77 29.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.647 -176.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -119.02 171.99 7.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.578 -178.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -134.52 160.4 38.15 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 . . . . . 0 C--O 1.251 1.147 0 CA-C-O 119.297 -0.383 . . . . 0.0 110.968 -177.286 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.2 mtm . . . . . 0 N--CA 1.479 0.987 0 CA-C-O 121.009 0.433 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.42 147.67 44.96 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.602 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.75 -28.66 87.82 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.584 2.189 . . . . 0.0 111.621 175.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.522 HD21 ' HB3' ' A' ' 72' ' ' SER . 48.8 tp -83.29 117.28 22.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.29 174.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -95.25 112.44 24.15 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.034 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.631 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 98.9 mt-30 -104.24 134.13 48.0 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.106 178.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -142.89 145.86 33.51 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.82 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 61.5 tt0 -78.91 121.17 24.53 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.977 0.418 . . . . 0.0 110.063 177.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.6 m -132.83 174.43 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.652 -177.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.54 HG22 ' HG2' ' A' ' 68' ' ' GLN . 35.0 t -115.51 125.56 72.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.804 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 38.0 t -78.28 100.83 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 172.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.7 m -74.85 -52.5 11.19 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -170.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -161.19 163.69 31.0 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.791 -174.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -105.56 143.69 33.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.502 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -148.67 -174.28 4.57 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.643 177.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -145.35 114.2 6.88 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.354 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.55 ' HZ2' ' HB2' ' A' ' 17' ' ' LYS . 9.6 mtmp? -131.97 105.8 13.86 Favored Pre-proline 0 C--N 1.32 -0.699 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 169.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 17' ' ' LYS . 16.0 Cg_endo -58.7 105.24 0.22 Allowed 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.194 1.93 . . . . 0.0 111.806 -179.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.5 t -81.77 72.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.455 0.645 . . . . 0.0 110.255 -179.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -169.32 83.7 0.13 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.02 177.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -117.28 -26.42 6.74 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.073 -175.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 -76.12 -36.11 58.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.414 -173.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.5 mtp-105 -138.95 118.12 12.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.919 0.39 . . . . 0.0 111.825 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.3 m -69.33 105.32 2.52 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 171.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.4 mtt-85 -70.72 -22.81 62.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.276 -174.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -97.22 -179.7 4.61 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.158 178.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -83.18 -39.72 20.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.779 0.323 . . . . 0.0 111.005 -174.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -85.61 148.93 25.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.927 0.394 . . . . 0.0 111.046 -178.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.8 t -64.65 -39.58 86.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.17 -175.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.0 m 65.2 73.49 0.42 Allowed Pre-proline 0 C--N 1.328 -0.344 0 O-C-N 123.802 0.689 . . . . 0.0 110.738 -178.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -64.19 -16.62 56.03 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.411 2.741 . . . . 0.0 113.404 -175.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.83 -35.13 77.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.942 178.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 61.32 40.02 98.03 Favored Glycine 0 C--N 1.331 0.303 0 CA-C-N 116.078 -0.51 . . . . 0.0 113.057 177.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.6 t -129.86 147.67 51.65 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.013 0.435 . . . . 0.0 110.53 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.6 m -148.78 118.88 7.2 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 177.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 90.4 mtp -76.46 41.62 0.26 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -169.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -98.53 97.63 8.91 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 169.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.406 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 23.7 m-85 -66.19 139.02 58.09 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.013 -172.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.697 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 51.0 mt-10 -108.09 152.22 24.82 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.902 175.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -126.64 144.14 51.0 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.739 176.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.9 p -94.28 125.41 38.9 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 178.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.417 ' CD1' ' HD2' ' A' ' 53' ' ' PHE . 97.3 m-85 -102.42 117.79 35.49 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.096 -178.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -95.18 114.75 64.46 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.641 -177.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -74.19 128.35 12.08 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.424 2.083 . . . . 0.0 111.826 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.4 mt -63.07 -51.12 67.91 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -92.25 97.66 11.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.844 176.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 129.33 -153.44 19.88 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.516 -0.85 . . . . 0.0 112.605 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -152.21 178.07 29.64 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 121.182 -0.532 . . . . 0.0 111.796 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.0 mt 67.65 126.17 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.507 0.67 . . . . 0.0 111.416 -177.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -93.36 122.49 35.83 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.812 -177.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -88.32 120.64 29.88 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.899 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.44 HG22 ' HB3' ' A' ' 39' ' ' GLU . 5.7 m -93.55 120.34 33.7 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.084 -179.145 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.417 ' HD2' ' CD1' ' A' ' 42' ' ' PHE . 71.2 m-85 -116.71 149.94 39.03 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.813 0.339 . . . . 0.0 111.233 -177.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.697 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 38.7 ptt180 -74.05 138.97 44.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.64 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 38' ' ' TYR . 81.3 mt -129.12 146.1 51.14 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.091 0.472 . . . . 0.0 110.437 177.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -92.0 165.23 13.3 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 173.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.04 -34.81 44.87 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.639 0.256 . . . . 0.0 111.642 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -61.63 -54.79 38.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.946 0.403 . . . . 0.0 110.449 177.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.49 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 86.9 mt-30 -63.59 -40.04 95.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.823 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -58.05 -35.09 70.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.482 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -87.61 -19.96 27.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.938 0.399 . . . . 0.0 110.429 178.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.49 -41.15 24.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.543 -177.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 59' ' ' GLN . 3.3 pp -107.49 152.27 24.44 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.912 0.387 . . . . 0.0 110.282 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.1 m -117.5 149.99 39.69 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.774 -175.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.6 t -67.48 118.74 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 171.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.62 -4.04 46.57 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.588 -173.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -75.36 93.68 2.95 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.54 ' HG2' HG22 ' A' ' 10' ' ' VAL . 88.8 mt-30 -74.54 111.17 9.46 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.799 174.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 8' ' ' GLN . . . -161.36 -170.79 26.5 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.384 -0.912 . . . . 0.0 112.645 -175.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 p -87.58 140.67 29.29 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.182 0.515 . . . . 0.0 112.004 -173.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.631 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 61.0 tp -117.43 128.27 54.84 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.124 179.267 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.522 ' HB3' HD21 ' A' ' 4' ' ' LEU . 19.7 m -100.99 112.03 24.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.142 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -141.59 155.02 45.78 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.948 0.404 . . . . 0.0 110.863 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -123.58 87.5 2.75 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.398 175.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.96 -114.23 4.13 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -173.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 24.0 p -100.07 4.67 44.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.087 0.47 . . . . 0.0 110.835 175.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 69.9 mtt85 -87.61 108.91 19.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.577 -177.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.457 ' CE1' HD11 ' A' ' 71' ' ' LEU . 84.3 t80 -75.94 107.46 8.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.927 177.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 68.0 t -84.29 -46.65 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.157 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 163.89 152.97 7.14 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.556 177.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -94.72 129.79 41.49 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.5 t -114.45 108.56 25.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.819 0.342 . . . . 0.0 110.635 -176.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.5 m -69.82 147.2 50.69 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 176.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.4 103.3 9.64 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.898 0.38 . . . . 0.0 110.678 -176.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.409 ' HA ' ' HD2' ' A' ' 86' ' ' PRO . 11.0 m -61.36 131.46 92.37 Favored Pre-proline 0 C--O 1.234 0.279 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.85 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 85' ' ' THR . 8.2 Cg_endo -50.57 128.37 23.46 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.224 2.616 . . . . 0.0 112.441 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -68.38 160.13 30.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.425 -177.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -124.45 135.1 52.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.671 -177.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -71.35 -40.45 70.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.406 0.622 . . . . 0.0 109.467 174.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 38.6 tp -96.59 106.77 19.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.966 178.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -61.08 -65.39 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.082 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -90.48 104.01 16.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.284 -0.417 . . . . 0.0 109.921 175.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -69.18 140.67 54.64 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.262 0.553 . . . . 0.0 111.687 -175.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -128.33 127.02 41.92 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 174.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.43 ' O ' ' HB2' ' A' ' 96' ' ' HIS . 7.8 t-160 -72.84 79.68 1.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.154 0.502 . . . . 0.0 109.93 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.43 ' HB2' ' O ' ' A' ' 95' ' ' HIS . 52.7 t-80 167.0 -26.21 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.758 -1.11 . . . . 0.0 108.97 -172.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 34.3 m170 . . . . . 0 C--O 1.248 1.015 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.148 -174.947 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.4 ttm . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 120.659 0.266 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.61 106.83 29.52 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.773 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.25 -41.98 14.74 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.628 2.219 . . . . 0.0 111.307 176.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.532 HD21 ' HB3' ' A' ' 72' ' ' SER . 44.7 tp -96.32 107.02 19.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.197 176.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -80.76 112.9 18.56 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.398 0.618 . . . . 0.0 110.105 -179.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.474 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 93.5 mt-30 -106.88 114.2 28.15 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.453 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.6 tttm -133.21 140.93 47.81 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 176.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -79.93 131.64 35.88 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.054 0.454 . . . . 0.0 110.702 -178.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.4 m -127.77 175.46 9.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.907 -177.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.449 ' HB ' ' HB3' ' A' ' 43' ' ' LYS . 47.9 t -104.69 125.91 59.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.963 176.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.7 t -77.82 96.67 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 172.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.43 ' OG ' ' HB2' ' A' ' 43' ' ' LYS . 15.7 m -57.97 -61.09 2.79 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.277 -174.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -173.43 155.3 2.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.324 -178.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HD2' ' CE1' ' A' ' 60' ' ' TYR . 1.1 ptmt -83.38 121.68 27.47 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.019 171.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -121.12 139.78 52.87 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.221 0.534 . . . . 0.0 111.214 -175.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.4 mp0 -89.5 94.73 9.98 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 174.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.534 ' HG2' ' HD2' ' A' ' 18' ' ' PRO . 15.2 ttpt -91.3 138.2 25.76 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.814 -177.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.534 ' HD2' ' HG2' ' A' ' 17' ' ' LYS . 74.9 Cg_exo -41.52 119.11 0.94 Allowed 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.271 2.647 . . . . 0.0 113.566 177.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 44.2 t -91.8 139.88 17.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.008 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -68.41 -25.21 64.93 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -171.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -85.4 -4.79 59.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.972 0.415 . . . . 0.0 111.16 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.421 ' O ' ' HB3' ' A' ' 23' ' ' ARG . 8.2 mpt_? -99.8 71.27 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 172.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.421 ' HB3' ' O ' ' A' ' 22' ' ' ARG . 26.8 ttm180 67.97 107.9 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 O-C-N 124.008 0.818 . . . . 0.0 110.13 -171.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.0 m -83.86 -6.22 59.38 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.567 -173.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.3 ttt180 -118.39 125.03 49.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.958 0.408 . . . . 0.0 110.58 -177.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -81.13 126.09 31.04 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.392 -175.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -98.53 -176.97 3.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.207 176.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.28 132.43 35.23 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 172.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.1 t 59.92 68.55 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 -167.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 p -102.15 118.83 58.25 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.223 -172.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -90.6 -157.14 0.06 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.971 0 C-N-CA 123.191 2.594 . . . . 0.0 110.83 171.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -143.17 -76.34 0.25 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.803 0.335 . . . . 0.0 110.528 177.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 145.41 -178.95 22.83 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.7 m -67.42 105.91 1.95 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.175 0.512 . . . . 0.0 110.502 179.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.4 m -85.96 115.21 23.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.876 -177.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 92.3 mmm -79.38 -19.62 49.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.264 0.554 . . . . 0.0 110.165 176.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.4 mtm-85 -111.63 97.21 6.57 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 174.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -79.03 164.47 24.32 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.76 -178.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.489 ' HB3' HG22 ' A' ' 52' ' ' THR . 29.1 mt-10 -129.3 141.37 51.12 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 175.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.403 ' O ' ' HA ' ' A' ' 52' ' ' THR . . . -118.69 135.53 54.42 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.829 0.347 . . . . 0.0 110.713 -177.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.3 m -94.55 129.36 41.4 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.832 -178.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -102.79 129.92 49.6 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.37 175.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.449 ' HB3' ' HB ' ' A' ' 10' ' ' VAL . 19.7 tttp -95.04 121.29 62.8 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.667 -172.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 7.8 Cg_exo -72.95 115.43 4.35 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 122.888 2.392 . . . . 0.0 111.596 176.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.6 mt -58.57 -33.93 70.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.658 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -91.05 20.61 4.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.118 0.485 . . . . 0.0 111.189 -175.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.66 145.14 4.77 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.225 -178.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.21 -178.51 26.7 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.869 -0.681 . . . . 0.0 111.614 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.7 mt -82.97 139.4 33.35 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 176.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -67.17 125.91 27.53 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.144 0.497 . . . . 0.0 110.539 -178.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -82.78 104.48 13.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.043 -177.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.489 HG22 ' HB3' ' A' ' 39' ' ' GLU . 14.1 m -96.51 107.54 19.96 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.598 -178.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -109.68 153.29 24.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.533 -179.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.428 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 25.2 ttm180 -85.74 144.55 27.72 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.059 -174.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.468 HD11 ' HG ' ' A' ' 63' ' ' LEU . 70.6 mt -129.75 153.18 48.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.604 -175.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -90.12 164.37 14.49 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 167.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.65 -39.91 74.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.906 0.384 . . . . 0.0 111.148 178.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -62.69 -44.5 96.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.684 177.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -67.82 -38.75 83.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.4 0.619 . . . . 0.0 109.861 178.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.426 ' CE1' ' HD2' ' A' ' 14' ' ' LYS . 78.5 t80 -54.87 -33.27 61.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.797 -1.092 . . . . 0.0 111.569 179.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -64.12 -30.47 71.53 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.28 177.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.83 -6.32 57.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.858 0.361 . . . . 0.0 111.467 -174.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.468 ' HG ' HD11 ' A' ' 55' ' ' LEU . 4.3 mm? -94.07 90.69 6.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.225 0.536 . . . . 0.0 111.061 -179.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.6 m -88.36 111.94 22.31 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.473 178.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 42.8 t -62.55 125.73 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.214 0.53 . . . . 0.0 111.376 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 96.73 -23.78 33.84 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.88 -177.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -78.54 92.6 4.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.12 0.486 . . . . 0.0 110.065 -178.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -60.45 134.91 57.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.915 177.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.34 176.13 37.9 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.369 -0.92 . . . . 0.0 112.335 -175.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.5 m -78.22 136.74 37.85 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.236 0.541 . . . . 0.0 111.283 -173.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.474 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 45.9 tp -117.43 125.0 50.21 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.72 178.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.532 ' HB3' HD21 ' A' ' 4' ' ' LEU . 35.2 m -101.31 112.05 24.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.094 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 55.2 p90 -136.11 157.75 46.08 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.916 0.389 . . . . 0.0 110.755 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -130.96 120.37 23.43 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 176.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.28 -114.03 5.5 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 120.218 -0.991 . . . . 0.0 111.317 -177.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.3 m -115.44 3.39 14.1 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.014 0.435 . . . . 0.0 110.487 178.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 56.4 ttt85 -105.68 141.3 37.36 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.331 0.586 . . . . 0.0 111.77 -173.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -75.39 133.46 41.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.708 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.8 t -108.0 -55.12 5.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.909 0.385 . . . . 0.0 110.43 177.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -168.28 154.34 24.14 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.518 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -107.14 135.86 47.96 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 177.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 47.0 t -125.22 102.27 10.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.875 0.369 . . . . 0.0 110.763 -177.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.8 t -67.51 155.68 38.49 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 174.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 84' ' ' ARG . 41.7 mtt180 -64.48 -29.91 70.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.94 0.4 . . . . 0.0 110.305 -178.609 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.443 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 77.6 m -151.39 116.93 3.18 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.757 174.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 85' ' ' THR . 6.3 Cg_exo -79.01 -163.41 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.146 2.564 . . . . 0.0 112.495 -179.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.72 -34.54 72.01 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.352 0.596 . . . . 0.0 109.708 177.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -126.07 -176.43 3.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.884 -178.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -81.83 -21.77 37.41 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.181 0.515 . . . . 0.0 109.626 174.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.8 mt -97.77 144.22 27.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.652 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -76.57 -8.33 57.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.243 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 64.32 25.2 13.44 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.247 -174.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -80.06 -10.96 59.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.508 0.671 . . . . 0.0 109.501 -178.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -133.27 100.39 4.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.018 170.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -85.64 1.9 47.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.149 0.5 . . . . 0.0 111.266 -175.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -152.61 139.35 18.88 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 171.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 7.2 m170 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.439 -0.791 . . . . 0.0 109.246 -179.851 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.9 mtp . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.431 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . . . -73.94 125.3 90.36 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.501 -179.653 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 2' ' ' ALA . 21.4 Cg_exo -65.8 -28.85 51.06 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.626 2.218 . . . . 0.0 111.367 178.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.545 HD21 ' HB3' ' A' ' 72' ' ' SER . 24.9 tp -102.06 116.36 32.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.202 178.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -80.93 112.84 18.69 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -178.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.48 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 96.8 mt-30 -116.67 138.55 51.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.102 -178.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -156.7 159.56 38.49 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.412 -0.813 . . . . 0.0 108.881 176.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -89.18 131.08 35.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.028 0.442 . . . . 0.0 110.072 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.6 m -134.75 174.25 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.716 -176.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.408 HG22 ' HG2' ' A' ' 68' ' ' GLN . 62.1 t -116.63 126.55 74.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.411 178.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.553 HG21 HD12 ' A' ' 63' ' ' LEU . 26.0 t -76.82 88.93 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 170.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 p -82.04 -53.55 6.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.356 -170.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -131.36 143.4 50.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.01 0.433 . . . . 0.0 111.63 -176.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.429 ' HE3' ' HB3' ' A' ' 14' ' ' LYS . 0.9 OUTLIER -98.07 121.51 40.09 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 170.44 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.443 HH12 ' CD ' ' A' ' 50' ' ' GLU . 47.1 mtt85 -118.95 153.02 35.29 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.53 -176.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -138.23 94.56 2.88 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 32.4 mtmm -98.89 116.81 65.11 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.319 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 17' ' ' LYS . 18.4 Cg_endo -61.56 111.75 1.25 Allowed 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.531 2.154 . . . . 0.0 111.579 176.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.0 t -105.17 112.49 38.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.803 178.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -81.49 62.31 5.31 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.74 -177.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -106.59 89.97 3.19 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 176.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -86.73 107.58 18.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.367 -171.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.0 ttt85 -63.83 -30.12 71.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.392 0.615 . . . . 0.0 109.79 173.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.483 ' OG ' ' HA3' ' A' ' 33' ' ' GLY . 4.4 m -64.73 -27.64 69.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.841 177.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.0 mtt85 61.87 28.92 17.7 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.12 0.485 . . . . 0.0 111.296 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -89.45 152.66 21.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.777 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -86.94 -17.39 33.25 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 172.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -65.03 164.4 12.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.643 -1.162 . . . . 0.0 111.038 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.6 t -92.55 14.41 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.331 0.586 . . . . 0.0 110.331 -177.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.3 m -67.88 115.36 27.18 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.43 -178.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -86.42 20.51 1.22 Allowed 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 122.778 2.319 . . . . 0.0 111.814 177.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.33 -31.86 72.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.131 -178.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.483 ' HA3' ' OG ' ' A' ' 24' ' ' SER . . . -100.33 30.39 10.28 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.032 179.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.7 m -147.5 133.8 19.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.851 0.357 . . . . 0.0 110.315 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.3 m -115.87 160.53 20.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.178 178.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 82.9 mtp -72.07 143.37 49.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.94 0.4 . . . . 0.0 110.296 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -116.88 106.59 13.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.465 -176.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -86.55 106.49 17.57 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -103.45 144.54 31.26 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 121.134 0.492 . . . . 0.0 110.49 -172.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.5 129.09 55.17 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.91 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.691 ' HB3' ' HB3' ' A' ' 50' ' ' GLU . 17.0 m -94.39 122.77 37.29 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.209 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -102.67 118.49 36.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.102 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.459 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 81.8 tttt -95.19 128.71 37.7 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.753 -177.436 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 14.1 Cg_exo -70.22 127.21 13.9 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 123.093 2.529 . . . . 0.0 112.096 176.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.91 -24.15 67.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.513 -177.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -106.35 23.62 13.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.312 0.577 . . . . 0.0 110.998 -174.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.54 140.54 10.68 Favored Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.419 179.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.25 174.77 21.04 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 111.394 -0.682 . . . . 0.0 111.394 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 76.8 mt -89.26 152.0 21.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.718 0.294 . . . . 0.0 110.209 178.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.691 ' HB3' ' HB3' ' A' ' 41' ' ' SER . 45.4 mt-10 -66.11 127.49 32.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.542 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.9 mttp -89.18 104.02 16.6 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.899 175.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.0 m -84.22 98.24 9.84 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.86 -177.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -97.59 139.76 33.01 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 176.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.3 mtt-85 -87.11 137.62 32.19 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.501 -174.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.6 mt -132.54 171.43 13.8 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.89 -176.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -96.93 169.97 9.48 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.353 173.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.39 -38.14 89.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.077 0.465 . . . . 0.0 110.038 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -60.47 -43.0 97.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.489 175.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -70.12 -35.62 74.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.117 -179.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -66.64 -25.5 66.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.162 0.506 . . . . 0.0 110.423 177.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -75.82 -9.66 58.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.608 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -89.97 -32.86 16.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.83 -177.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.553 HD12 HG21 ' A' ' 11' ' ' VAL . 2.4 pt? -114.78 165.24 13.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 110.925 -176.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.598 ' HB ' ' HB2' ' A' ' 67' ' ' ASP . 24.2 m -123.05 140.62 52.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.765 -177.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 55.8 t -69.44 120.18 16.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 175.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.63 -12.4 53.9 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 121.149 -0.548 . . . . 0.0 111.819 -174.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.598 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 13.0 t70 -78.67 93.27 4.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.093 0.473 . . . . 0.0 109.916 -179.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.408 ' HG2' HG22 ' A' ' 10' ' ' VAL . 45.6 mt-30 -67.37 127.7 33.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.991 177.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.47 -170.92 26.81 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.995 -176.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.2 m -95.34 138.59 32.82 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.019 0.438 . . . . 0.0 111.053 -174.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.48 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 65.9 tp -117.44 131.24 56.78 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.252 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.545 ' HB3' HD21 ' A' ' 4' ' ' LEU . 20.1 m -103.49 114.15 28.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.548 176.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -140.35 170.18 16.3 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.627 -177.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -137.88 87.38 2.25 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 174.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.81 -137.1 23.82 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -171.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.8 m -89.76 65.68 6.86 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.189 0.519 . . . . 0.0 109.905 176.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 19.5 ttm-85 -153.51 125.66 7.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.801 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -79.45 117.8 20.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.4 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.2 t -98.25 -48.65 12.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.125 0.488 . . . . 0.0 109.72 175.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -179.14 139.86 4.13 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.322 177.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -98.41 124.25 42.99 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 176.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 36.9 t -110.32 95.08 3.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.273 0.559 . . . . 0.0 110.4 -177.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.442 ' O ' ' HD2' ' A' ' 86' ' ' PRO . 14.1 p -74.85 164.02 27.02 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 173.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -95.48 17.64 14.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.416 0.627 . . . . 0.0 110.305 -176.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.413 ' CB ' ' HD3' ' A' ' 86' ' ' PRO . 0.0 OUTLIER -65.72 -50.88 52.71 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.459 172.636 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.442 ' HD2' ' O ' ' A' ' 83' ' ' SER . 12.9 Cg_exo -71.72 -166.48 0.25 Allowed 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 122.481 2.12 . . . . 0.0 112.068 173.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -91.11 3.84 53.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.614 -175.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 14.4 m120 59.44 26.29 15.19 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.13 0.491 . . . . 0.0 110.299 -175.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -75.12 -7.15 52.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.686 -177.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.8 mt -74.17 -22.95 59.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.717 174.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -92.81 148.54 21.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.129 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 44.9 m170 -86.06 112.57 21.38 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 161.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -59.7 107.17 0.56 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.443 0.639 . . . . 0.0 111.192 -168.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 37.9 p-80 -110.5 21.76 16.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.138 -174.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -115.69 -43.55 3.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.238 174.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -134.4 120.65 20.08 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 175.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 15.0 p-80 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.235 -0.888 . . . . 0.0 109.876 177.559 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 120.891 0.377 . . . . 0.0 110.122 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.18 85.11 34.35 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 -178.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -94.38 12.98 1.55 Allowed 'Trans proline' 0 N--CA 1.454 -0.82 0 C-N-CA 123.425 2.75 . . . . 0.0 112.838 179.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.418 ' CD1' ' HB3' ' A' ' 72' ' ' SER . 2.3 pt? -77.7 158.26 29.74 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -96.71 121.15 38.25 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.618 0.246 . . . . 0.0 110.461 -177.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -105.07 109.34 21.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.168 0.508 . . . . 0.0 110.354 175.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -125.06 137.2 54.21 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.282 179.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.444 ' HG2' ' HA ' ' A' ' 70' ' ' THR . 75.2 mt-30 -82.98 132.06 35.16 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.379 177.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.433 HG12 ' HA ' ' A' ' 44' ' ' PRO . 21.3 m -126.69 167.43 21.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.162 -175.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.517 HG22 ' HG2' ' A' ' 68' ' ' GLN . 49.0 t -103.82 122.08 56.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.349 176.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.503 HG21 HD12 ' A' ' 63' ' ' LEU . 23.8 t -72.37 97.3 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 172.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.65 ' HB3' ' HB3' ' A' ' 41' ' ' SER . 29.4 t -71.98 -57.25 4.45 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.654 -171.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -175.45 162.43 2.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.261 -176.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.1 pttt -84.65 133.57 34.4 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 173.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -132.72 150.18 52.19 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.402 0.62 . . . . 0.0 110.73 -177.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -109.31 120.06 41.36 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.779 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.666 ' HE3' HG21 ' A' ' 52' ' ' THR . 92.5 mttt -89.83 150.49 43.96 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.569 178.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -50.61 121.03 7.24 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.852 2.368 . . . . 0.0 111.821 177.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 40.0 t -65.13 110.71 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.881 -177.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -87.27 -5.12 59.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.192 177.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -75.01 97.43 3.39 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 107.913 -1.144 . . . . 0.0 107.913 172.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 22' ' ' ARG . 12.4 mtm-85 -66.11 131.75 46.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.661 0.743 . . . . 0.0 112.708 -168.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -69.66 162.52 27.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.461 -1.245 . . . . 0.0 111.087 -177.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.5 m -85.6 119.52 26.03 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 174.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.4 mtm180 -61.83 -45.76 92.41 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.11 0.481 . . . . 0.0 110.449 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -98.17 143.98 28.12 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 177.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -79.03 92.72 5.01 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.424 0.631 . . . . 0.0 112.215 -171.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -92.99 178.91 5.6 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.404 -0.816 . . . . 0.0 108.807 168.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.9 t -76.25 -56.69 7.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.5 m 54.43 79.75 0.33 Allowed Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.263 178.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -76.75 33.4 0.42 Allowed 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.958 2.439 . . . . 0.0 113.043 -175.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.14 -31.87 23.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.138 0.494 . . . . 0.0 110.148 178.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.59 -140.76 15.78 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.118 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 60.6 m -149.87 114.49 5.28 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.827 0.346 . . . . 0.0 110.418 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.9 p -74.76 94.1 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 66.8 mtm -71.21 115.12 9.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.283 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.6 mtm-85 -122.33 105.05 9.85 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.074 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -90.55 111.61 22.97 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 175.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.75 ' HG2' ' HA ' ' A' ' 54' ' ' ARG . 51.6 mt-10 -103.3 145.04 30.55 Favored 'General case' 0 C--N 1.31 -1.137 0 C-N-CA 119.91 -0.716 . . . . 0.0 109.143 -174.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.35 148.75 42.18 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 121.254 0.549 . . . . 0.0 111.122 -170.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.65 ' HB3' ' HB3' ' A' ' 12' ' ' SER . 11.6 t -94.82 112.65 24.36 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.982 -177.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.456 ' CD1' ' HD2' ' A' ' 53' ' ' PHE . 96.3 m-85 -106.27 108.43 19.95 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.961 178.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.606 ' HB2' ' HG2' ' A' ' 50' ' ' GLU . 59.9 tttp -95.48 124.56 52.77 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.167 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.433 ' HA ' HG12 ' A' ' 9' ' ' VAL . 24.1 Cg_exo -65.01 134.77 41.16 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.729 2.286 . . . . 0.0 111.435 172.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.2 mt -63.68 -60.06 3.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.142 0.496 . . . . 0.0 111.89 -177.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -99.16 89.04 4.1 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.395 -174.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.39 95.87 0.14 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.134 -0.555 . . . . 0.0 113.123 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 169.18 143.43 3.86 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.163 -1.018 . . . . 0.0 112.995 178.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.5 tp -88.94 154.9 19.85 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.606 ' HG2' ' HB2' ' A' ' 43' ' ' LYS . 42.6 mt-10 -59.04 129.03 40.19 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 123.412 0.445 . . . . 0.0 111.704 -177.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -102.01 143.14 32.23 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 173.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.666 HG21 ' HE3' ' A' ' 17' ' ' LYS . 3.6 m -108.95 118.1 35.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.687 0.28 . . . . 0.0 111.137 -176.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.456 ' HD2' ' CD1' ' A' ' 42' ' ' PHE . 90.6 m-85 -115.78 149.01 39.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.622 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.75 ' HA ' ' HG2' ' A' ' 39' ' ' GLU . 37.0 ttm180 -82.22 131.52 35.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.323 -174.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.448 ' HB3' ' HB2' ' A' ' 60' ' ' TYR . 83.3 mt -133.96 142.46 47.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.19 0.519 . . . . 0.0 110.992 179.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.432 ' H ' ' HB2' ' A' ' 59' ' ' GLN . 79.7 mt-30 -119.42 -167.76 1.46 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.379 172.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -43.86 -76.46 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -169.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -70.74 -21.71 62.5 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.673 -174.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.432 ' HB2' ' H ' ' A' ' 56' ' ' GLN . 88.0 mt-30 -71.51 -45.3 62.82 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.941 0.4 . . . . 0.0 110.38 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.448 ' HB2' ' HB3' ' A' ' 55' ' ' LEU . 86.0 t80 -75.82 -23.95 55.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.326 0.584 . . . . 0.0 110.247 178.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -72.18 -16.6 61.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.995 -179.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.72 -6.23 58.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.928 -176.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.503 HD12 HG21 ' A' ' 11' ' ' VAL . 2.4 pt? -144.16 164.48 30.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.836 0.35 . . . . 0.0 110.393 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.4 m -123.17 144.51 49.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.483 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 44.8 t -61.6 124.6 16.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.07 0.462 . . . . 0.0 110.408 174.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.27 -18.06 54.65 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.976 -176.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -78.51 92.57 4.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.176 0.512 . . . . 0.0 109.779 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.678 ' O ' ' HD3' ' A' ' 84' ' ' ARG . 86.4 mt-30 -62.4 134.12 56.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.196 175.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.28 177.33 37.65 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.191 -1.004 . . . . 0.0 112.527 -175.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.495 ' HB ' ' HB ' ' A' ' 82' ' ' VAL . 17.2 m -84.92 133.4 34.29 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.933 0.396 . . . . 0.0 111.319 -172.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.6 tp -117.19 124.56 49.41 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.199 178.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.418 ' HB3' ' CD1' ' A' ' 4' ' ' LEU . 18.3 m -104.87 122.97 46.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.615 179.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.407 ' HA ' HG23 ' A' ' 79' ' ' VAL . 50.9 p90 -150.11 160.92 43.29 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.222 0.534 . . . . 0.0 111.152 -175.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -123.69 104.81 9.22 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.33 -0.85 . . . . 0.0 108.958 173.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.3 -114.2 4.08 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.515 -0.85 . . . . 0.0 111.356 -176.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.9 p -113.37 4.7 16.47 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.855 0.359 . . . . 0.0 110.92 177.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.2 ttt85 -97.39 133.12 42.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.113 0.482 . . . . 0.0 111.471 -175.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.417 ' HB2' ' CD1' ' A' ' 53' ' ' PHE . 52.9 t80 -70.27 127.56 33.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.667 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.407 HG23 ' HA ' ' A' ' 73' ' ' TYR . 85.6 t -108.86 -49.91 7.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.328 176.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -170.51 155.49 25.04 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.013 178.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -126.23 133.15 51.57 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.495 ' HB ' ' HB ' ' A' ' 70' ' ' THR . 43.3 t -109.61 95.74 4.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.784 178.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.2 p -79.07 152.99 30.52 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.545 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.678 ' HD3' ' O ' ' A' ' 68' ' ' GLN . 27.4 mtp-105 -83.17 -23.6 32.85 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.359 179.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 60.6 m -133.15 89.82 32.4 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.813 173.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -93.3 179.17 1.1 Allowed 'Trans proline' 0 N--CA 1.454 -0.828 0 C-N-CA 123.569 2.846 . . . . 0.0 111.938 176.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.4 p30 -87.17 -16.47 35.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.036 0.446 . . . . 0.0 110.933 178.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -144.36 139.77 28.68 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.702 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -65.01 -29.04 69.93 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 172.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.2 mt -98.92 -164.95 1.18 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.934 177.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -97.54 -174.38 2.9 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.755 0.312 . . . . 0.0 110.243 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -98.45 5.51 47.99 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.532 0.682 . . . . 0.0 109.211 175.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -142.21 135.94 29.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.002 176.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -65.05 -51.35 62.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.658 0.266 . . . . 0.0 111.341 -174.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -87.6 144.97 26.41 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 -68.39 -47.15 68.11 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 175.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 33.3 m80 . . . . . 0 C--O 1.246 0.879 0 CA-C-N 114.67 -1.15 . . . . 0.0 108.7 171.777 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.1 mtt . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 120.69 0.281 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.452 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . . . -146.32 146.33 27.22 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.026 -176.241 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.455 ' HB2' ' HG3' ' A' ' 74' ' ' LYS . 12.5 Cg_exo -71.13 -26.06 21.72 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 123.004 2.469 . . . . 0.0 112.242 177.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.514 HD11 ' HB3' ' A' ' 72' ' ' SER . 24.0 tp -87.16 105.87 17.49 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -92.73 113.24 25.46 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.929 0.395 . . . . 0.0 110.114 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.495 ' HA ' ' O ' ' A' ' 71' ' ' LEU . 97.3 mt-30 -103.49 114.63 29.05 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.548 179.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -133.36 169.2 17.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.928 177.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -86.84 125.95 34.32 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 173.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.2 m -124.01 157.96 30.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 120.817 0.341 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.545 HG22 ' HG2' ' A' ' 68' ' ' GLN . 26.0 t -103.01 120.6 53.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.413 178.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.563 HG21 ' HB2' ' A' ' 63' ' ' LEU . 48.1 t -67.87 104.3 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 171.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.4 t -97.04 -58.13 2.1 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.184 -169.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -127.59 146.32 50.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.888 0.375 . . . . 0.0 111.676 -174.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -113.12 124.97 53.81 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 170.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -138.83 163.6 31.83 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.711 -171.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -146.63 110.11 4.84 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.282 171.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -96.2 112.85 61.01 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.765 177.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -76.37 105.49 2.09 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 123.006 2.471 . . . . 0.0 111.311 175.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.664 HG12 ' H ' ' A' ' 21' ' ' ASP . 40.2 t -73.42 140.49 17.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.31 -179.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -67.61 -27.9 67.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.015 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.664 ' H ' HG12 ' A' ' 19' ' ' VAL . 35.5 t70 -74.65 111.04 9.45 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 175.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 51.2 mtp85 -114.42 170.58 8.2 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.379 -174.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -69.06 -69.35 0.34 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 170.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.3 m -84.65 121.53 27.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.18 171.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 25' ' ' ARG . 38.5 mtt180 -59.97 -36.93 78.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.229 0.537 . . . . 0.0 110.24 -178.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -73.44 130.57 40.42 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.354 178.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -123.47 120.35 32.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.591 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -124.92 -170.24 2.13 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 174.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.4 t -85.43 60.81 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.613 0.72 . . . . 0.0 110.16 -176.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.449 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 33.7 t -128.92 110.81 18.53 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.392 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.449 ' HD2' ' HA ' ' A' ' 30' ' ' SER . 27.5 Cg_endo -64.22 -19.63 66.1 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.908 2.405 . . . . 0.0 111.887 177.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.98 -20.38 57.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.308 176.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.83 32.64 5.92 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.989 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.3 t -163.7 162.62 24.15 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.6 p -125.12 116.36 21.93 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.762 0.315 . . . . 0.0 110.623 -178.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 87.4 mtp -88.29 147.71 24.67 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.997 178.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.416 ' H ' ' HE ' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -160.47 105.5 1.46 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.109 0.481 . . . . 0.0 110.383 -178.022 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.403 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 2.3 m-30 -61.36 125.18 22.84 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.538 -174.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.898 ' HG2' ' HG2' ' A' ' 54' ' ' ARG . 34.8 mt-10 -103.53 135.74 44.56 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 -179.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.22 128.95 55.19 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.883 0.373 . . . . 0.0 111.172 -175.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.743 ' HB3' ' HB3' ' A' ' 50' ' ' GLU . 20.2 m -94.42 121.58 36.1 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.72 177.367 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -102.73 127.86 49.69 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.191 -178.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.507 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 72.8 tttt -95.92 122.42 58.49 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.295 -176.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.507 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 3.8 Cg_exo -76.28 132.39 13.72 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.856 2.37 . . . . 0.0 112.601 -178.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.99 -23.66 64.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.197 178.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -87.01 17.27 4.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.821 -175.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.43 127.29 0.27 Allowed Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.439 -0.801 . . . . 0.0 112.599 -177.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 169.3 -147.1 10.73 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.531 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.0 mt -123.75 154.68 39.16 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.251 -0.278 . . . . 0.0 110.251 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.743 ' HB3' ' HB3' ' A' ' 41' ' ' SER . 23.9 mt-10 -68.28 113.37 5.83 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.031 -177.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 41' ' ' SER . 61.4 mttm -82.6 120.86 26.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.589 178.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 24.8 m -102.51 110.77 22.81 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.946 0.403 . . . . 0.0 111.34 -175.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -112.85 151.54 30.3 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.951 178.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.898 ' HG2' ' HG2' ' A' ' 39' ' ' GLU . 85.6 mtm-85 -88.5 135.32 33.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.959 0.409 . . . . 0.0 111.056 -177.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 91.3 mt -133.03 167.82 19.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.2 -174.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -104.27 165.94 10.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.842 174.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.82 -35.95 82.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.057 0.455 . . . . 0.0 110.239 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -57.15 -34.21 68.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.828 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -86.93 -39.51 15.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.522 -178.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -63.59 -17.1 62.5 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.373 178.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -52.46 -30.39 29.52 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.149 176.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.54 -61.06 1.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -176.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.563 ' HB2' HG21 ' A' ' 11' ' ' VAL . 0.7 OUTLIER -72.93 133.91 44.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.447 0.641 . . . . 0.0 111.846 -172.849 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.8 m -123.2 149.73 44.28 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.646 177.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 83.6 t -59.66 125.62 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.813 0.34 . . . . 0.0 110.656 178.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.16 -23.64 32.47 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.78 -176.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -76.24 96.37 3.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.3 0.571 . . . . 0.0 110.469 -177.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.545 ' HG2' HG22 ' A' ' 10' ' ' VAL . 79.2 mt-30 -61.29 143.16 56.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.17 174.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.483 ' HA3' ' HA ' ' A' ' 83' ' ' SER . . . -161.41 177.51 37.69 Favored Glycine 0 N--CA 1.443 -0.881 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.9 m -91.65 130.94 37.37 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.134 0.493 . . . . 0.0 110.531 -175.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.495 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 58.3 tp -117.27 122.39 43.82 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.668 -177.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.541 ' O ' ' HB ' ' A' ' 79' ' ' VAL . 22.8 m -98.1 105.22 17.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.352 175.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.3 p90 -121.27 122.67 40.43 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.372 0.606 . . . . 0.0 110.188 175.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.455 ' HG3' ' HB2' ' A' ' 3' ' ' PRO . 36.6 ttmt -98.66 103.86 15.85 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.491 -0.777 . . . . 0.0 108.996 -178.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.95 -114.46 3.83 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.542 -0.837 . . . . 0.0 111.111 -174.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.9 p -119.56 16.07 12.86 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.061 0.458 . . . . 0.0 110.733 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' A' ' 77' ' ' ARG . 22.5 ttm-85 -112.95 139.0 48.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.76 -175.047 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -69.51 116.03 9.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.801 174.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.541 ' HB ' ' O ' ' A' ' 72' ' ' SER . 98.5 t -97.37 -57.21 4.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.702 0.287 . . . . 0.0 110.388 178.29 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -165.3 143.29 8.34 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.352 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -117.95 128.62 54.98 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 177.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.9 t -131.69 111.7 19.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.225 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.483 ' HA ' ' HA3' ' A' ' 69' ' ' GLY . 51.5 m -59.99 144.74 48.45 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 174.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -74.88 -6.52 49.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.983 0.421 . . . . 0.0 110.849 -178.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.46 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 34.6 m -97.14 114.62 65.0 Favored Pre-proline 0 N--CA 1.45 -0.463 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 170.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 85' ' ' THR . 16.7 Cg_exo -67.08 135.62 38.08 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.803 2.335 . . . . 0.0 113.207 -175.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -73.13 152.48 41.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.734 174.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -94.45 35.4 1.21 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.03 0.443 . . . . 0.0 111.559 -169.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -109.33 -68.11 0.94 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.827 0.346 . . . . 0.0 110.81 178.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.15 129.37 39.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -176.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -82.08 122.15 27.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.285 -179.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -121.54 136.47 54.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.108 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -70.17 -28.02 65.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.096 0.474 . . . . 0.0 109.887 178.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -115.86 118.54 33.26 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 177.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -100.05 -42.26 6.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.016 -174.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -80.64 143.33 33.18 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -177.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.527 -0.749 . . . . 0.0 110.829 -175.284 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.483 1.176 0 CA-C-O 120.586 0.231 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.34 83.0 0.22 Allowed Pre-proline 0 C--O 1.233 0.191 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.583 -178.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -64.44 -38.39 33.95 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.446 2.097 . . . . 0.0 111.104 175.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.493 HD21 ' HB2' ' A' ' 72' ' ' SER . 31.8 tp -108.62 109.05 20.16 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.627 173.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -80.36 112.45 17.7 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.203 0.525 . . . . 0.0 109.984 -176.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.421 ' HB3' ' CG2' ' A' ' 70' ' ' THR . 95.6 mt-30 -113.18 115.58 28.47 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.79 -176.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -136.15 149.51 48.66 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 173.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -84.45 141.1 31.05 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.117 0.484 . . . . 0.0 111.351 -176.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.2 m -137.7 172.58 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.582 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.535 HG22 ' HG2' ' A' ' 68' ' ' GLN . 41.6 t -107.78 119.32 57.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.096 175.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.66 HG21 HD12 ' A' ' 63' ' ' LEU . 16.5 t -68.62 96.53 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 171.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.3 t -79.25 -48.57 13.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.872 -167.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -164.73 151.8 11.16 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.873 -175.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -88.28 151.08 22.89 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 173.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -138.96 168.25 20.25 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.816 0.341 . . . . 0.0 110.602 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -142.91 95.03 2.71 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 171.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.502 ' NZ ' ' HA ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -109.82 90.81 9.68 Favored Pre-proline 0 C--N 1.32 -0.697 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 176.395 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.402 ' HB3' ' O ' ' A' ' 33' ' ' GLY . 29.7 Cg_endo -63.82 136.45 53.34 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.179 1.92 . . . . 0.0 111.423 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.496 HG12 ' H ' ' A' ' 21' ' ' ASP . 46.9 t -59.27 122.87 10.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 175.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -67.15 -1.7 4.69 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.057 -172.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.496 ' H ' HG12 ' A' ' 19' ' ' VAL . 6.3 m-20 -81.19 -10.18 59.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.866 0.365 . . . . 0.0 110.488 176.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -87.21 91.17 8.62 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 175.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.464 ' CZ ' ' HA ' ' A' ' 21' ' ' ASP . 42.6 mtt85 -121.25 -165.9 1.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.36 0.6 . . . . 0.0 110.883 -174.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.6 t -109.86 167.33 10.24 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.035 175.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -78.48 -20.34 51.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.221 0.534 . . . . 0.0 109.956 177.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -135.45 -171.1 2.75 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.826 178.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -94.2 -10.6 32.51 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 173.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -82.93 122.1 27.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.297 175.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 56.2 t 63.93 89.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.336 0.588 . . . . 0.0 110.467 -177.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.3 m -128.09 109.63 19.9 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.607 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -67.18 148.98 81.7 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.848 2.365 . . . . 0.0 111.892 178.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.8 -18.17 59.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.083 0.468 . . . . 0.0 110.665 -178.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.402 ' O ' ' HB3' ' A' ' 18' ' ' PRO . . . 104.07 30.96 4.9 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.891 179.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.2 m -68.03 143.81 55.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.854 0.359 . . . . 0.0 110.882 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.4 p -154.91 166.9 32.07 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.527 177.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 89.3 mmm -94.21 -2.71 52.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.1 0.476 . . . . 0.0 110.449 178.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -97.0 93.74 6.77 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.373 175.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -85.09 -173.25 4.61 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.734 -175.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -132.41 152.41 51.49 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.447 ' O ' ' HA ' ' A' ' 52' ' ' THR . . . -123.69 132.98 53.96 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.679 0.276 . . . . 0.0 110.864 -178.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.482 ' OG ' ' HB3' ' A' ' 50' ' ' GLU . 12.4 t -96.64 117.79 31.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.058 179.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -102.88 117.69 35.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.279 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 87.2 tttt -98.63 124.98 44.3 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.237 -178.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 23.5 Cg_exo -65.03 139.02 59.48 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.89 2.393 . . . . 0.0 112.36 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 71.2 mt -63.03 -34.76 78.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.417 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.67 23.24 8.92 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.684 -172.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.96 148.85 6.08 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.638 -176.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.31 -172.54 29.34 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.252 -0.975 . . . . 0.0 112.371 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.2 mt -81.77 148.53 28.86 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.801 0.334 . . . . 0.0 110.822 -177.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.482 ' HB3' ' OG ' ' A' ' 41' ' ' SER . 42.6 mt-10 -82.51 112.3 19.31 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.302 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -82.47 113.2 20.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.274 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 24.4 m -98.33 113.57 25.58 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.719 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -116.31 149.88 38.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.936 178.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -88.03 125.95 34.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.935 0.398 . . . . 0.0 111.163 -174.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.5 mt -131.76 135.99 47.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.093 -175.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -81.03 173.31 12.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.122 178.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.98 -46.42 89.5 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.861 0.363 . . . . 0.0 111.328 -178.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -64.01 -33.37 75.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.268 178.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -78.57 -41.3 32.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.503 -178.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -59.2 -35.99 74.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.075 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -84.03 23.43 1.04 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -177.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.65 -11.8 21.7 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 168.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.66 HD12 HG21 ' A' ' 11' ' ' VAL . 1.5 pt? -142.62 171.51 13.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.246 -178.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.542 ' HB ' ' HB2' ' A' ' 67' ' ' ASP . 1.3 m -123.32 154.23 39.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.66 -179.092 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 49.0 t -71.7 121.04 21.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 170.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.92 -5.19 66.16 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.982 -0.628 . . . . 0.0 111.586 -173.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.542 ' HB2' ' HB ' ' A' ' 64' ' ' THR . 0.9 OUTLIER -77.96 90.74 4.17 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.838 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.535 ' HG2' HG22 ' A' ' 10' ' ' VAL . 97.0 mt-30 -64.81 120.36 12.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.751 176.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.54 176.8 38.02 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.28 -0.962 . . . . 0.0 112.22 -176.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.421 ' CG2' ' HB3' ' A' ' 6' ' ' GLN . 7.1 m -77.04 139.84 40.16 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.964 0.411 . . . . 0.0 110.9 -175.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 6' ' ' GLN . 52.4 tp -117.38 116.05 26.43 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.493 ' HB2' HD21 ' A' ' 4' ' ' LEU . 8.2 p -93.9 110.96 22.6 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.532 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -139.13 166.34 24.77 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.248 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -126.35 91.95 3.47 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 175.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.45 -114.33 5.36 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.314 -0.946 . . . . 0.0 111.004 -175.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.2 p -94.44 -3.28 50.39 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.876 0.369 . . . . 0.0 111.063 177.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -89.13 113.4 24.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.661 -175.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -73.88 125.28 27.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.271 175.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.0 t -106.97 -50.3 7.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.748 0.309 . . . . 0.0 110.75 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -176.5 177.03 48.01 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.595 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -125.23 134.1 52.46 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 62.1 t -127.05 98.69 4.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.961 0.41 . . . . 0.0 111.096 -176.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.413 ' HB3' ' HG3' ' A' ' 86' ' ' PRO . 35.4 t -85.06 154.56 22.0 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 173.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 88.8 mtt-85 -60.13 -50.93 71.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.061 0.458 . . . . 0.0 110.266 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 86.7 m -155.76 98.29 2.27 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.807 177.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.413 ' HG3' ' HB3' ' A' ' 83' ' ' SER . 7.5 Cg_exo -73.29 164.41 35.32 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.889 2.392 . . . . 0.0 111.901 179.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -59.44 -18.73 41.9 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.937 0.399 . . . . 0.0 111.427 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -65.61 -36.54 84.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.29 0.567 . . . . 0.0 110.109 176.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -84.38 -10.63 57.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.021 -173.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.7 mt -69.75 -19.46 63.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.347 0.594 . . . . 0.0 110.05 176.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.473 ' CD ' ' H ' ' A' ' 93' ' ' HIS . 7.7 tm-20 -65.91 121.85 16.02 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 172.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -74.84 6.3 4.15 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -169.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.473 ' H ' ' CD ' ' A' ' 91' ' ' GLU . 7.1 m-70 62.85 39.34 10.74 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 122.995 0.518 . . . . 0.0 110.969 173.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -69.65 -21.05 63.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.632 -178.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -142.69 76.95 1.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.847 -178.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.432 ' HD2' ' HA ' ' A' ' 93' ' ' HIS . 67.2 m-70 -139.8 -54.78 0.55 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.626 176.376 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 28.0 m170 . . . . . 0 C--O 1.246 0.872 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.282 -174.079 . . . . . . . . 0 0 . 1 stop_ save_