data_1ywu_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 1ywu _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 ' 14' ' ' ILE . . . . . 0.621 ' O ' ' HA ' ' A' ' 35' ' ' ASP . 35.9 mm . . . . . 0 N--CA 1.45 -0.429 0 CA-C-O 121.501 0.667 . . . . 0.0 110.53 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -160.7 103.94 1.37 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.243 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -107.44 161.95 14.37 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.546 -174.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -83.63 81.35 8.78 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 174.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.36 144.76 46.8 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.459 -176.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.532 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 18.7 m-20 -71.1 110.06 5.55 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 176.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.466 ' HB3' ' O ' ' A' ' 31' ' ' VAL . 22.6 t -101.12 108.23 19.86 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.253 -178.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.555 ' OE2' ' HD2' ' A' ' 28' ' ' ARG . 38.1 mt-10 -109.85 119.7 40.16 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.818 175.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.595 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 71.3 mt -101.22 111.53 31.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 170.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.465 ' H ' HD22 ' A' ' 23' ' ' LEU . 2.2 pt? -127.92 171.48 11.77 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.839 -173.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -141.28 78.81 1.66 Allowed 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 174.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.79 -84.32 0.04 OUTLIER Glycine 0 CA--C 1.521 0.411 0 CA-C-N 115.105 -0.952 . . . . 0.0 113.371 -177.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -85.97 -30.13 23.0 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 123.172 0.589 . . . . 0.0 111.938 -173.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -106.65 123.92 48.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.742 -0.208 . . . . 0.0 110.94 -171.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.555 ' HD2' ' OE2' ' A' ' 21' ' ' GLU . 8.9 ttp180 -112.92 134.88 54.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.723 -0.217 . . . . 0.0 110.966 -178.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 6.8 m-90 -129.62 108.34 10.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.192 0.52 . . . . 0.0 110.525 172.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -72.47 128.79 36.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.773 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.466 ' O ' ' HB3' ' A' ' 20' ' ' SER . 11.6 p -137.71 160.76 33.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.786 0.327 . . . . 0.0 111.198 -173.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.1 mp -96.36 129.4 43.7 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.328 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.5 tt -81.64 138.04 35.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.084 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -111.51 -42.7 3.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.642 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.621 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 13.4 t70 -165.14 139.23 4.87 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 172.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.512 HG23 ' HB ' ' A' ' 41' ' ' ILE . 7.5 p -132.72 141.7 44.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.936 0.398 . . . . 0.0 110.356 -179.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.7 p -145.48 -169.78 3.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.938 0.399 . . . . 0.0 111.344 -175.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.3 mt -84.65 -12.3 54.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.154 -174.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.47 ' HE1' HD13 ' A' ' 119' ' ' LEU . 10.5 p80 -107.96 -19.58 13.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.496 -177.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 176.49 -178.15 47.86 Favored Glycine 0 N--CA 1.443 -0.855 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.285 -175.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.512 ' HB ' HG23 ' A' ' 36' ' ' VAL . 8.5 tt -148.65 133.21 9.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 120.814 0.34 . . . . 0.0 110.218 -177.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.598 HD11 ' HB3' ' A' ' 82' ' ' LEU . 55.4 tp -108.61 114.46 28.3 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.034 0.445 . . . . 0.0 110.245 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.8 m -113.49 167.72 6.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.208 176.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -124.94 113.63 2.0 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.617 -0.801 . . . . 0.0 111.395 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.577 ' HG3' HD12 ' A' ' 83' ' ' LEU . 21.1 mt-30 -108.89 113.64 59.26 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-O 120.945 0.403 . . . . 0.0 110.695 -178.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -78.07 12.33 2.05 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 123.221 2.614 . . . . 0.0 111.461 174.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -148.62 127.34 12.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.173 -0.922 . . . . 0.0 108.791 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -89.14 133.63 34.32 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.877 0.37 . . . . 0.0 110.71 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.415 ' HH2' HG21 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -89.73 -111.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.23 179.789 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.3 t30 . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 174.757 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 CA--C 1.52 -0.181 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 -97.25 110.68 55.45 Favored Pre-proline 0 N--CA 1.449 -0.509 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.843 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -69.74 143.6 51.42 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.599 2.199 . . . . 0.0 111.449 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -121.76 152.83 39.03 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.05 0.453 . . . . 0.0 111.016 -174.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.595 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 36.8 mt-10 -106.19 128.15 53.72 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.466 ' HB1' ' HG3' ' A' ' 71' ' ' MET . . . -109.41 107.92 18.26 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 177.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.456 ' HG2' HD11 ' A' ' 68' ' ' LEU . 33.7 ttm180 -109.99 115.4 29.7 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.884 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.63 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 67.6 mt -106.67 106.99 17.78 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.591 -176.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.532 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 28.2 m-85 -85.41 95.07 9.14 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 176.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 22.2 tp -78.93 -23.54 44.59 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 177.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -169.14 167.59 40.59 Favored Glycine 0 N--CA 1.436 -1.357 0 CA-C-N 113.646 -1.616 . . . . 0.0 109.335 172.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.5 mt -56.91 -41.57 78.38 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 117.63 0.715 . . . . 0.0 110.73 178.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -94.08 -8.2 40.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.48 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 32.8 t -114.46 92.99 2.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-O 121.045 0.45 . . . . 0.0 110.159 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.456 HD11 ' HG2' ' A' ' 60' ' ' ARG . 49.8 tp -109.94 122.97 48.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.277 -176.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.63 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 58.1 mt -103.53 132.56 49.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 173.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -135.17 143.65 46.59 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.761 0.315 . . . . 0.0 111.155 -175.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.466 ' HG3' ' HB1' ' A' ' 59' ' ' ALA . 17.9 ptm -158.58 128.21 5.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.225 -178.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -85.21 125.36 32.8 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.754 175.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.517 HG21 ' HA ' ' A' ' 87' ' ' CYS . 22.7 pt -132.47 172.32 16.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.732 -175.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.4 m -132.23 146.75 52.22 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.188 172.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 63.0 tp -69.41 112.77 6.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.406 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.13 -49.74 7.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.454 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 65.9 p-90 -156.0 141.24 17.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.928 0.394 . . . . 0.0 111.549 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -120.39 122.18 40.18 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 172.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -150.83 113.48 4.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.694 0.283 . . . . 0.0 111.683 -172.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 66.05 26.45 10.78 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.347 173.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.58 -11.44 68.45 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.321 -0.943 . . . . 0.0 112.132 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.598 ' HB3' HD11 ' A' ' 42' ' ' LEU . 74.8 mt -96.74 122.33 39.57 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.577 HD12 ' HG3' ' A' ' 45' ' ' GLN . 5.5 mp -115.35 114.52 25.24 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.068 0.461 . . . . 0.0 110.361 -179.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -98.9 114.88 5.15 Favored Glycine 0 N--CA 1.441 -0.984 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.215 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -99.49 152.77 19.62 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -103.73 135.09 45.94 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 176.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.517 ' HA ' HG21 ' A' ' 73' ' ' ILE . 74.8 m -76.2 132.83 40.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.946 -177.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -112.03 -53.6 2.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.508 177.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -139.31 98.25 3.47 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 -176.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 32.9 mt -97.76 124.55 50.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 172.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.41 ' O ' ' HB3' ' A' ' 94' ' ' SER . 28.9 t70 -60.99 147.24 44.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.748 0.309 . . . . 0.0 111.115 -176.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.63 -45.09 92.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.241 -177.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -69.39 -35.94 76.28 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.41 ' HB3' ' O ' ' A' ' 91' ' ' ASP . 32.4 t -57.54 -50.96 71.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.417 174.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 80.3 mt -60.01 -39.5 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-O 121.002 0.43 . . . . 0.0 110.332 176.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 53.9 m -59.02 -39.28 81.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.884 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -70.73 -47.39 59.96 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.888 0.375 . . . . 0.0 110.394 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.408 ' O ' HG22 ' A' ' 102' ' ' VAL . 57.1 tp -58.44 -53.55 57.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.379 -176.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -66.35 -36.94 84.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 -177.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.452 HH11 ' HD2' ' A' ' 100' ' ' ARG . 10.1 tpp85 -63.26 -39.24 94.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.867 177.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.2 tp -65.59 -42.05 92.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.747 0.308 . . . . 0.0 110.678 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 98' ' ' LEU . 64.3 t -63.47 -44.76 98.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.371 . . . . 0.0 110.373 177.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -59.71 -46.27 89.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.614 177.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.3 tt -57.44 -45.9 84.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.756 -177.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -80.58 -16.01 55.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.154 -177.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 29.5 tp 59.15 52.93 5.76 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.995 0.902 . . . . 0.0 109.203 -171.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' ' 108' ' ' ASP . . . -90.1 -0.4 77.49 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 114.948 -1.024 . . . . 0.0 112.358 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 107' ' ' GLY . 1.3 m-20 72.12 120.47 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.604 0.716 . . . . 0.0 111.507 -178.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 113' ' ' GLU . 1.5 mp0 -65.69 -8.96 23.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.277 176.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -50.58 -36.52 35.16 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.277 174.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.581 HD21 HH21 ' A' ' 114' ' ' ARG . 72.3 mt -63.33 -32.18 73.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.328 0.585 . . . . 0.0 111.07 -178.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.4 mt -79.84 -14.62 58.53 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.751 -177.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 72.4 mt-10 -102.0 12.52 36.75 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -170.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.685 ' HB2' HD12 ' A' ' 119' ' ' LEU . 14.8 mtt85 -76.23 -162.67 0.25 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.067 0.461 . . . . 0.0 109.929 175.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.418 ' O ' HD13 ' A' ' 119' ' ' LEU . 1.5 tm-20 -123.31 148.2 46.22 Favored 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 173.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 61.6 tp -53.42 -38.26 63.31 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 118.246 0.475 . . . . 0.0 112.061 -174.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.52 -16.85 64.45 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.846 0.355 . . . . 0.0 111.53 177.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 79.2 mt -89.96 -15.23 32.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.715 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.685 HD12 ' HB2' ' A' ' 114' ' ' ARG . 10.8 mp -86.42 104.79 16.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.53 0.681 . . . . 0.0 111.077 -177.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 121' ' ' SER . 15.0 t -113.55 166.38 7.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.042 -178.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.45 ' N ' HG12 ' A' ' 120' ' ' VAL . 21.1 p -69.28 171.63 8.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.76 0.314 . . . . 0.0 111.118 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.42 -178.544 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.487 ' O ' HG21 ' A' ' 14' ' ' ILE . 17.8 tt . . . . . 0 N--CA 1.451 -0.41 0 CA-C-O 122.823 1.297 . . . . 0.0 109.73 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.9 101.48 4.31 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.3 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -76.8 167.13 22.36 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.064 -178.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -80.19 46.71 0.84 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 171.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -97.13 144.22 27.19 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.623 -1.172 . . . . 0.0 110.522 -173.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.533 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 20.9 m-20 -91.45 118.37 30.5 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 175.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.5 t -107.31 115.15 29.65 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.502 -176.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.767 ' HG2' ' HG3' ' A' ' 30' ' ' GLU . 56.2 mt-10 -106.21 129.58 54.23 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.224 176.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.431 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 76.9 mt -96.81 115.4 36.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 173.033 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.51 ' HB2' ' HB2' ' A' ' 58' ' ' GLU . 6.9 mt -101.85 135.81 42.75 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.186 -174.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -116.76 77.28 1.1 Allowed 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 171.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.36 -73.89 1.54 Allowed Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.127 -177.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -119.34 -36.03 3.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.811 0.339 . . . . 0.0 111.423 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.401 ' HD3' ' CZ2' ' A' ' 29' ' ' TRP . 51.6 ttt180 -90.12 130.34 36.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.64 -172.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.0 ptt85 -112.35 140.35 47.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.664 -177.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.401 ' CZ2' ' HD3' ' A' ' 27' ' ' ARG . 16.8 m-90 -124.89 111.05 15.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.305 174.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.767 ' HG3' ' HG2' ' A' ' 21' ' ' GLU . 4.1 mp0 -67.36 121.07 14.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.117 0.484 . . . . 0.0 110.342 174.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.6 p -116.61 161.69 15.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.249 -175.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 mp -90.5 118.83 30.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.709 0.29 . . . . 0.0 110.701 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.466 HD12 ' HB ' ' A' ' 36' ' ' VAL . 65.8 tp -71.04 146.21 49.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.403 176.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -128.88 -44.12 1.33 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.718 176.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.429 ' CG ' HH22 ' A' ' 114' ' ' ARG . 10.1 t70 -153.13 138.66 17.72 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 177.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.466 ' HB ' HD12 ' A' ' 33' ' ' LEU . 8.7 p -137.85 140.69 40.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.639 ' HG ' ' HA ' ' A' ' 112' ' ' LEU . 5.6 t -151.41 -169.82 3.48 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 120.424 -0.51 . . . . 0.0 111.342 -174.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.9 tp -90.28 10.89 23.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.946 0.879 . . . . 0.0 110.657 -171.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -138.88 19.13 2.65 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.606 -176.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.88 -163.88 25.84 Favored Glycine 0 N--CA 1.442 -0.964 0 C-N-CA 120.233 -0.984 . . . . 0.0 112.805 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.0 tt -157.58 139.2 5.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 120.617 0.246 . . . . 0.0 110.403 -174.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.689 HD11 ' HB3' ' A' ' 82' ' ' LEU . 39.5 tp -115.05 118.22 32.78 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.519 -178.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 33' ' ' LEU . 30.5 m -127.23 169.98 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.794 0.33 . . . . 0.0 111.243 -178.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -113.9 107.12 1.84 Allowed Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 176.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.63 ' HB3' HD11 ' A' ' 83' ' ' LEU . 24.5 tp60 -123.53 111.66 29.69 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 120.646 0.26 . . . . 0.0 111.344 -172.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.4 ' HD2' HE21 ' A' ' 45' ' ' GLN . 3.1 Cg_exo -77.59 47.42 2.29 Favored 'Trans proline' 0 CA--C 1.532 0.402 0 C-N-CA 123.402 2.735 . . . . 0.0 112.009 175.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.413 ' C ' ' H ' ' A' ' 49' ' ' TRP . 0.1 OUTLIER -135.56 128.39 31.16 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -176.628 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' ' 49' ' ' TRP . 44.3 m-20 -77.35 19.22 0.35 Allowed 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.814 -176.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.535 ' CZ2' HD13 ' A' ' 83' ' ' LEU . 37.5 m95 70.48 145.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 123.433 0.693 . . . . 0.0 111.406 -176.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.8 p30 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.491 -175.647 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.427 HE21 ' HB2' ' A' ' 54' ' ' GLN . 0.0 OUTLIER . . . . . 0 CA--C 1.512 -0.5 0 CA-C-O 122.632 1.206 . . . . 0.0 108.087 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.9 ttm105 -100.19 137.34 20.02 Favored Pre-proline 0 N--CA 1.434 -1.233 0 CA-C-N 113.112 -1.858 . . . . 0.0 110.17 -170.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.94 132.02 49.49 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.873 2.382 . . . . 0.0 112.378 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -116.03 152.28 33.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.599 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.51 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 39.9 mt-10 -116.92 135.97 53.31 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 121.193 -0.203 . . . . 0.0 110.724 -177.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -117.55 125.26 50.52 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.705 0.288 . . . . 0.0 110.628 178.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -124.15 112.7 17.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.919 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.71 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 64.7 mt -103.76 126.68 51.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.704 -175.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.533 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 67.0 m-85 -100.96 111.8 24.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.899 176.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -104.45 -26.0 12.58 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.247 0.546 . . . . 0.0 109.655 173.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -174.82 -168.25 35.23 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.3 mt -77.62 -30.47 52.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.102 0.477 . . . . 0.0 110.276 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -94.01 -32.01 14.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.215 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.9 t -94.61 92.21 3.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.204 -175.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.3 tp -116.46 119.71 36.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.45 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.71 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 66.7 mt -104.88 133.04 50.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.859 -177.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -129.11 142.08 51.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.17 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.409 ' HB3' HG22 ' A' ' 90' ' ' ILE . 21.4 ptm -154.71 134.52 12.89 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 120.809 0.337 . . . . 0.0 111.451 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -83.55 126.51 32.88 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.702 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 14.0 pt -136.61 148.1 27.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.334 0.588 . . . . 0.0 112.325 -174.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 54.7 p -121.22 130.56 53.75 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 172.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.4 tp -64.25 115.83 5.41 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.576 -178.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -118.95 -6.3 10.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.167 0.508 . . . . 0.0 110.398 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.739 ' HB2' HD22 ' A' ' 116' ' ' LEU . 0.3 OUTLIER -133.87 145.63 49.84 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-O 121.811 0.815 . . . . 0.0 109.579 -176.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -162.48 103.88 1.08 Allowed 'General case' 0 C--N 1.293 -1.867 0 CA-C-N 114.038 -1.437 . . . . 0.0 110.225 -177.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.621 ' HB2' ' CZ3' ' A' ' 77' ' ' TRP . 6.2 mmm180 -128.12 92.2 3.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.846 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.5 t70 65.95 -84.89 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.82 177.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -122.65 -5.49 8.38 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.85 -0.691 . . . . 0.0 111.652 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.791 ' HG ' ' HB3' ' A' ' 121' ' ' SER . 4.4 mm? -95.97 115.98 28.25 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.63 HD11 ' HB3' ' A' ' 45' ' ' GLN . 51.5 mt -109.25 128.62 55.21 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.522 -176.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.493 ' HA3' ' HB3' ' A' ' 77' ' ' TRP . . . -114.48 125.87 7.02 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.871 -177.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.702 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 55.9 m-85 -104.33 145.18 30.62 Favored 'General case' 0 C--N 1.314 -0.969 0 O-C-N 122.607 -0.349 . . . . 0.0 110.423 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -94.47 126.23 39.61 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 173.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.519 ' HA ' HG23 ' A' ' 73' ' ' ILE . 24.6 p -75.23 114.08 13.33 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.102 0.477 . . . . 0.0 110.737 -178.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -81.05 -37.42 29.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.475 177.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -160.66 119.33 2.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.681 176.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.409 HG22 ' HB3' ' A' ' 71' ' ' MET . 32.2 mt -102.78 132.9 47.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 172.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.484 ' O ' HG13 ' A' ' 95' ' ' ILE . 14.1 t70 -57.0 128.89 39.23 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 178.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.624 HD12 HD13 ' A' ' 95' ' ' ILE . 4.4 mm? -60.81 -35.93 77.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.056 -173.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -69.12 -41.37 77.48 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 178.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.507 ' HB3' HG21 ' A' ' 69' ' ' ILE . 20.9 m -60.81 -41.6 95.99 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.791 176.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.624 HD13 HD12 ' A' ' 92' ' ' LEU . 71.5 mt -58.83 -44.04 89.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 120.911 0.386 . . . . 0.0 110.596 176.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.3 t -58.82 -47.89 83.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.398 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -64.84 -38.97 92.77 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 110.562 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.509 ' O ' HG21 ' A' ' 102' ' ' VAL . 61.8 tp -59.08 -58.68 7.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.902 -179.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.449 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 77.4 ttt180 -67.0 -34.56 78.0 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.761 -176.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.441 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 12.7 tpp180 -62.32 -39.02 91.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.8 0.333 . . . . 0.0 110.5 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.4 tp -68.41 -34.92 76.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.161 177.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.509 HG21 ' O ' ' A' ' 98' ' ' LEU . 57.3 t -65.6 -43.42 94.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.134 176.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 99' ' ' ARG . 7.2 mm-40 -56.61 -46.59 80.81 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.599 176.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 95.1 mt -59.35 -34.27 72.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.482 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -94.13 5.07 52.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.648 -176.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.46 HD11 ' HA ' ' A' ' 106' ' ' LEU . 3.6 mm? 57.99 33.07 22.79 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.06 0.457 . . . . 0.0 111.269 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -76.49 106.02 2.1 Favored Glycine 0 N--CA 1.437 -1.274 0 C-N-CA 120.42 -0.895 . . . . 0.0 111.288 177.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.576 ' HB3' ' HG2' ' A' ' 110' ' ' GLU . 2.6 m-20 -36.05 117.59 0.47 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.271 0.558 . . . . 0.0 111.432 172.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -72.43 1.88 7.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.981 -172.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.576 ' HG2' ' HB3' ' A' ' 108' ' ' ASP . 8.2 mm-40 -57.38 -32.47 66.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.538 0.685 . . . . 0.0 109.561 176.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.45 HD13 ' HB ' ' A' ' 14' ' ' ILE . 86.9 mt -66.16 -23.34 66.45 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.094 -177.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.639 ' HA ' ' HG ' ' A' ' 37' ' ' SER . 97.5 mt -89.55 -20.11 24.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.753 -175.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -108.18 20.39 18.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.891 0.377 . . . . 0.0 111.445 -172.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.442 ' NE ' ' HA ' ' A' ' 111' ' ' LEU . 80.6 mtm180 -84.98 -169.42 2.64 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.539 ' O ' HD12 ' A' ' 119' ' ' LEU . 0.4 OUTLIER -115.6 154.82 28.75 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 172.642 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.739 HD22 ' HB2' ' A' ' 77' ' ' TRP . 25.3 tp -55.66 -34.77 65.29 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.11 0.413 . . . . 0.0 110.802 177.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.05 -18.91 62.16 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 111.836 175.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 90.4 mt -99.65 -4.34 31.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.853 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.539 HD12 ' O ' ' A' ' 115' ' ' GLU . 8.8 mp -95.07 88.24 5.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.509 0.671 . . . . 0.0 110.058 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.449 HG11 ' N ' ' A' ' 121' ' ' SER . 11.5 t -93.86 168.06 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.409 -179.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.791 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 2.4 p -61.4 171.96 1.28 Allowed 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 122.892 0.477 . . . . 0.0 111.41 178.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.455 0 CA-C-O 121.144 0.497 . . . . 0.0 110.955 -177.443 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.636 HG21 HG13 ' A' ' 36' ' ' VAL . 34.0 mm . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.33 0.586 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -152.82 103.49 2.77 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.684 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -121.16 166.82 13.4 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.375 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -79.09 82.85 5.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.334 0.587 . . . . 0.0 111.366 -176.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.25 138.1 43.21 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.372 174.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.572 ' O ' ' HD2' ' A' ' 62' ' ' TYR . 37.0 t70 -73.65 114.53 12.02 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 p -107.82 113.58 26.91 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.288 0.566 . . . . 0.0 112.074 -174.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -119.7 131.33 55.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.349 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.448 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 72.2 mt -104.03 107.65 22.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 172.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.62 ' H ' HD22 ' A' ' 23' ' ' LEU . 2.0 pt? -112.41 152.14 29.01 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.253 0.549 . . . . 0.0 110.627 -177.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.558 ' OE1' ' HD3' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -125.83 17.19 8.0 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.701 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.76 -43.02 2.73 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.608 -174.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.597 ' HG3' ' ND2' ' A' ' 50' ' ' ASN . 2.3 mm-40 -61.81 -40.87 96.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.303 0.573 . . . . 0.0 110.154 176.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.1 ttt-85 -162.74 161.11 26.15 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.003 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.2 ptt180 -114.48 118.02 32.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 173.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 27.6 m-90 -97.03 123.33 40.73 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.892 -178.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -70.57 116.17 10.58 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 174.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -119.81 159.08 21.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -177.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 mp -103.97 131.34 51.3 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.464 178.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.489 HD13 ' HB ' ' A' ' 36' ' ' VAL . 64.0 tp -68.75 138.35 54.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.47 177.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.886 ' HB3' ' HG ' ' A' ' 121' ' ' SER . 31.9 m-70 -130.99 -37.27 1.29 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.598 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.489 ' HA ' ' HB ' ' A' ' 14' ' ' ILE . 56.3 t0 -170.15 111.2 0.42 Allowed 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.636 HG13 HG21 ' A' ' 14' ' ' ILE . 7.7 p -113.74 156.32 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 O-C-N 122.108 -0.37 . . . . 0.0 110.507 -177.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.603 ' HG ' ' HA ' ' A' ' 112' ' ' LEU . 3.3 t -157.05 -178.89 7.7 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 -177.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.463 ' HG ' ' HB3' ' A' ' 112' ' ' LEU . 92.1 mt -82.03 -2.46 51.78 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.266 0.555 . . . . 0.0 111.449 -176.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.692 ' HA ' ' SG ' ' A' ' 87' ' ' CYS . 13.5 p80 -121.03 21.41 11.32 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.242 -177.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.421 ' HA3' ' O ' ' A' ' 85' ' ' PHE . . . 132.78 -159.57 23.52 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 119.916 -1.135 . . . . 0.0 112.339 178.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.525 HG12 HG12 ' A' ' 43' ' ' VAL . 15.9 tt -158.6 140.36 5.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.142 0.496 . . . . 0.0 111.183 -173.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.477 HD12 ' HB3' ' A' ' 82' ' ' LEU . 58.8 tp -111.39 114.27 27.3 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.293 175.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.525 HG12 HG12 ' A' ' 41' ' ' ILE . 14.4 m -126.57 170.35 16.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.519 -176.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' A' ' 81' ' ' GLY . . . -111.55 103.8 1.6 Allowed Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 176.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.47 106.98 58.12 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -176.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -71.47 -30.18 15.54 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.948 2.432 . . . . 0.0 113.122 -176.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -90.65 175.61 6.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.209 0.528 . . . . 0.0 111.237 -174.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -98.55 163.82 12.51 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.97 177.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -88.58 176.12 7.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.191 0.52 . . . . 0.0 111.521 -174.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.597 ' ND2' ' HG3' ' A' ' 26' ' ' GLU . 23.4 p-10 . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.088 -175.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 . . . . . 0 CA--C 1.517 -0.315 0 CA-C-O 121.631 0.729 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.558 ' HD3' ' OE1' ' A' ' 24' ' ' GLN . 45.9 mtt180 -87.57 139.06 31.52 Favored Pre-proline 0 N--CA 1.444 -0.757 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.178 171.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -58.98 107.36 0.34 Allowed 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.387 2.058 . . . . 0.0 111.954 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -95.52 135.36 37.28 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.448 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 44.8 mt-10 -113.12 119.42 37.76 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.791 0.329 . . . . 0.0 110.584 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.8 107.3 19.75 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.8 177.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -96.91 111.63 23.75 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.446 177.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.846 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 75.9 mt -99.96 99.92 10.74 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 175.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.572 ' HD2' ' O ' ' A' ' 19' ' ' ASP . 40.1 m-85 -79.73 94.63 5.78 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.1 tp -88.97 -29.99 19.12 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -155.36 -176.38 27.47 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.994 177.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.96 -45.58 81.22 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.0 0.4 . . . . 0.0 110.372 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.95 5.55 28.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.145 0.498 . . . . 0.0 110.633 177.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.0 t -105.77 84.25 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.1 tp -110.73 117.47 33.53 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.126 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.846 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 55.2 mt -94.24 92.34 3.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 175.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.537 ' O ' ' HD3' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -105.36 123.51 47.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.608 0.718 . . . . 0.0 110.301 -178.263 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.0 ptm -127.67 121.18 29.73 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.767 -177.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -78.27 119.09 21.14 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 176.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.508 HG23 ' HA ' ' A' ' 87' ' ' CYS . 11.6 pt -133.72 161.19 41.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.234 0.54 . . . . 0.0 112.057 -172.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.415 ' HB2' ' OE1' ' A' ' 88' ' ' GLN . 34.1 t -119.38 139.05 52.62 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.007 173.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.6 tp -77.38 114.6 16.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.991 0.424 . . . . 0.0 110.361 -177.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.89 -49.97 6.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.24 -176.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -149.95 151.28 33.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.27 0.557 . . . . 0.0 111.769 -177.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -132.47 114.98 14.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.023 176.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -122.58 118.25 27.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.707 -0.224 . . . . 0.0 110.528 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.6 t70 61.54 -86.44 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.902 0.751 . . . . 0.0 111.093 -178.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.44 ' O ' ' HA2' ' A' ' 44' ' ' GLY . . . -137.27 2.66 3.22 Favored Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 177.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.477 ' HB3' HD12 ' A' ' 42' ' ' LEU . 80.2 mt -103.81 118.8 37.55 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.6 mp -114.09 127.97 56.17 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.705 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.31 124.72 7.88 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.126 -178.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.476 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 49.4 m-85 -109.72 143.35 39.64 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -98.56 142.25 30.38 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 175.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.692 ' SG ' ' HA ' ' A' ' 39' ' ' HIS . 28.4 p -80.1 137.97 36.86 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.499 0.666 . . . . 0.0 111.568 -172.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.415 ' OE1' ' HB2' ' A' ' 74' ' ' SER . 24.2 mt-30 -112.25 -41.15 3.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.031 175.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -154.33 98.45 2.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.908 0.385 . . . . 0.0 111.195 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 51.9 mt -93.55 112.32 26.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 167.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -65.47 148.23 52.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.64 -172.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 39.3 tp -56.63 -34.68 67.52 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.915 0.388 . . . . 0.0 110.536 -177.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -57.67 -55.05 39.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.02 174.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.6 m -63.58 -37.02 85.74 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.947 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 72.6 mt -60.21 -46.61 94.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.601 175.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 90.5 p -63.87 -36.93 85.53 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.467 -178.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 -66.41 -51.05 60.98 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.842 0.353 . . . . 0.0 110.303 177.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.6 tp -63.57 -46.99 83.37 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.476 -175.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -57.82 -55.7 31.53 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.777 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 26.2 mtm180 -60.94 -33.9 73.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.999 -176.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 63.4 tp -60.82 -55.22 35.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.866 0.365 . . . . 0.0 110.983 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 61.4 t -69.31 -41.09 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.054 0.454 . . . . 0.0 110.875 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -68.61 -33.91 74.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.439 -175.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 72.0 mt -78.14 -12.53 60.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.69 0.281 . . . . 0.0 111.394 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -100.11 -10.65 21.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.868 177.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 82.5 mt 59.73 39.18 21.22 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.087 175.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -100.06 42.9 1.87 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.676 -177.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 68.16 115.19 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.567 0.698 . . . . 0.0 112.408 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -19.11 62.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.044 175.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' A' ' 114' ' ' ARG . 46.6 mt-10 -59.92 -25.52 65.21 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.994 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.456 ' HA ' ' NE ' ' A' ' 114' ' ' ARG . 84.2 mt -65.12 -20.61 66.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.042 0.449 . . . . 0.0 110.638 178.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.603 ' HA ' ' HG ' ' A' ' 37' ' ' SER . 89.5 mt -95.95 -10.21 29.25 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.783 0.325 . . . . 0.0 110.557 176.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -110.19 20.22 18.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.592 -172.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 110' ' ' GLU . 70.2 mtm180 -90.75 -165.12 1.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.767 0.317 . . . . 0.0 110.488 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.46 ' O ' HD13 ' A' ' 119' ' ' LEU . 8.3 tp10 -123.54 149.03 45.74 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 174.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 61.7 tp -51.57 -40.28 59.46 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 118.119 0.418 . . . . 0.0 111.429 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.76 -28.2 65.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.87 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.444 ' HG ' ' HB3' ' A' ' 115' ' ' GLU . 71.8 mt -85.99 -18.16 33.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.21 -177.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 115' ' ' GLU . 8.2 mp -77.22 110.9 12.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.504 0.668 . . . . 0.0 111.882 -173.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 22.0 t -106.54 161.64 5.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.236 172.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.886 ' HG ' ' HB3' ' A' ' 34' ' ' HIS . 20.7 t -87.03 165.5 15.77 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.756 0.312 . . . . 0.0 111.143 -171.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.164 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 168.938 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.4 pt . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 121.546 0.689 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.48 79.07 1.88 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.375 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -71.11 140.94 50.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.666 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -80.96 90.83 5.97 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.446 -176.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 62' ' ' TYR . . . -135.51 163.25 30.52 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.87 177.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.536 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 5.2 m-20 -62.77 111.09 1.96 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 176.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.6 m -112.41 96.36 5.96 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.781 0.324 . . . . 0.0 110.269 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -102.66 129.7 49.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.514 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.532 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 1.9 mp -96.57 104.76 16.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 167.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.5 mt -95.09 132.29 40.15 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.327 -174.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -120.91 90.33 3.3 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 171.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.72 -73.4 1.21 Allowed Glycine 0 N--CA 1.445 -0.733 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.527 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -137.64 -14.89 1.42 Allowed 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -173.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.6 ttt180 -95.88 144.68 26.01 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.572 -175.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -99.76 140.15 34.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.393 -175.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 14.1 m-90 -127.67 92.43 3.48 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 165.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -83.93 112.26 19.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.984 0.421 . . . . 0.0 110.283 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.419 HG22 ' N ' ' A' ' 32' ' ' LEU . 9.7 p -125.12 161.22 29.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.133 -173.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.419 ' N ' HG22 ' A' ' 31' ' ' VAL . 5.7 mp -85.37 135.98 33.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.635 174.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.9 tp -70.31 144.32 51.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.974 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.582 ' HB2' ' O ' ' A' ' 42' ' ' LEU . 8.9 m170 -114.78 -54.62 2.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.348 176.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -162.13 135.25 6.09 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.6 p -127.78 142.16 44.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 55.9 p -149.68 -168.78 3.2 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 121.328 0.585 . . . . 0.0 112.371 -172.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 40.3 tp -85.98 1.29 50.74 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.001 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.539 ' HA ' ' SG ' ' A' ' 87' ' ' CYS . 1.8 p80 -127.96 13.75 6.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.87 -176.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.461 ' HA3' ' O ' ' A' ' 85' ' ' PHE . . . 133.72 -147.49 19.06 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 120.259 -0.972 . . . . 0.0 112.275 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.0 tt -161.28 146.91 4.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.849 0.357 . . . . 0.0 110.692 -172.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.582 ' O ' ' HB2' ' A' ' 34' ' ' HIS . 51.4 tp -114.05 126.5 55.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.768 176.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.8 m -125.71 179.35 3.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.801 0.334 . . . . 0.0 110.558 178.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -142.12 91.83 0.18 Allowed Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -95.4 126.97 43.84 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.944 0.402 . . . . 0.0 111.807 -173.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -78.74 -10.9 15.55 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 123.004 2.47 . . . . 0.0 111.548 174.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -107.7 135.86 48.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.871 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -71.22 172.18 9.75 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.396 0.617 . . . . 0.0 111.39 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.484 ' CZ2' HD13 ' A' ' 83' ' ' LEU . 45.6 m95 -78.03 178.1 7.77 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -170.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 114.636 -1.166 . . . . 0.0 111.627 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 . . . . . 0 CA--C 1.509 -0.6 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.41 122.62 87.04 Favored Pre-proline 0 N--CA 1.44 -0.967 0 CA-C-N 113.425 -1.716 . . . . 0.0 110.274 174.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.67 140.47 62.28 Favored 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.554 2.169 . . . . 0.0 112.022 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -110.06 145.59 36.83 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.532 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 33.1 tt0 -118.68 123.59 45.28 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 174.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.7 106.73 19.07 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 174.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.8 ttt85 -104.54 112.56 25.68 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.562 -175.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.6 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 77.2 mt -99.84 120.57 39.96 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.527 -176.279 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.536 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 9.8 m-85 -92.68 98.53 11.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.101 -178.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -95.08 -1.36 52.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.384 0.611 . . . . 0.0 109.503 175.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.88 -174.15 46.84 Favored Glycine 0 N--CA 1.441 -1.004 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.924 177.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -75.29 -38.66 60.24 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -94.55 -22.33 18.29 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.998 -176.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 55.2 t -99.96 104.86 16.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.57 -174.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -116.96 126.78 53.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.355 174.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.6 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 59.0 mt -99.38 104.03 15.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 172.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -104.28 136.22 44.28 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.142 0.496 . . . . 0.0 110.208 -178.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.7 ptp -134.13 112.06 10.82 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.138 173.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.479 ' HB3' ' HB3' ' A' ' 89' ' ' HIS . 10.6 tt0 -76.39 109.46 10.12 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 175.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.659 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 3.3 pt -123.68 151.28 28.32 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-O 121.498 0.666 . . . . 0.0 112.393 -166.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.3 m -108.55 120.4 42.33 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.695 176.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.7 tp -73.53 105.64 4.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.954 0.407 . . . . 0.0 110.328 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -112.11 -2.68 14.92 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.25 0.548 . . . . 0.0 109.724 175.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -123.05 141.97 51.38 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-O 122.248 1.023 . . . . 0.0 110.101 -177.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -162.27 107.35 1.21 Allowed 'General case' 0 C--N 1.286 -2.154 0 CA-C-N 113.25 -1.796 . . . . 0.0 110.039 -177.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -126.18 81.12 1.97 Allowed 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.067 -175.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.2 t70 62.51 -81.34 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.729 0.643 . . . . 0.0 111.796 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -119.19 -12.75 6.75 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.085 -0.578 . . . . 0.0 111.855 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 98.5 mt -89.48 115.04 26.61 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.484 HD13 ' CZ2' ' A' ' 49' ' ' TRP . 45.4 mt -107.81 126.13 52.26 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.416 -175.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -119.26 137.02 12.3 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.352 -176.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.659 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 29.6 m-85 -118.63 143.85 46.54 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 122.771 -0.252 . . . . 0.0 110.521 -178.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -94.91 142.67 27.2 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 171.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.539 ' SG ' ' HA ' ' A' ' 39' ' ' HIS . 9.0 p -72.61 114.75 11.08 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.244 0.545 . . . . 0.0 111.003 -177.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.409 ' HB3' ' O ' ' A' ' 72' ' ' GLU . 9.9 tt0 -96.44 -43.33 7.68 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.027 178.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.479 ' HB3' ' HB3' ' A' ' 72' ' ' GLU . 2.4 t-160 -150.0 98.97 2.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.944 176.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 46.5 mt -102.43 114.68 42.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 169.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -63.76 145.13 56.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.964 -176.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.7 mt -55.68 -37.64 68.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.788 -176.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -56.41 -52.4 64.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.626 175.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.514 ' HB3' HG21 ' A' ' 69' ' ' ILE . 60.0 m -63.9 -34.22 77.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.059 -178.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 72.5 mt -63.02 -44.38 99.59 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.087 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 175.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.1 m -62.52 -38.03 88.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.053 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -67.97 -44.65 76.22 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 177.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.79 -46.03 91.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.229 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -53.21 -48.99 67.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.87 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 19.3 tpp85 -68.63 -43.6 75.98 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.7 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 44.4 tp -57.45 -52.24 66.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.751 -177.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 95.3 t -61.62 -52.55 59.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.997 0.427 . . . . 0.0 110.901 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.88 -36.79 77.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.097 -177.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 44.5 tp -68.99 -32.77 72.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.188 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -96.43 10.61 37.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.317 -178.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 23.5 tp 68.04 27.99 6.86 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.48 0.657 . . . . 0.0 110.457 176.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -68.91 104.49 1.26 Allowed Glycine 0 N--CA 1.438 -1.232 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.575 176.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -42.48 119.42 1.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.058 0.456 . . . . 0.0 110.728 172.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.43 -22.21 66.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.435 -170.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 114' ' ' ARG . 92.4 mt-10 -65.41 -22.11 66.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.839 0.352 . . . . 0.0 110.555 -178.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 98.7 mt -63.26 -33.9 76.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.076 175.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.2 mt -79.84 -23.62 41.87 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.73 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -97.26 12.1 34.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.903 -170.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 110' ' ' GLU . 84.8 mtm180 -82.01 -169.24 2.28 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 175.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.552 ' O ' HD11 ' A' ' 119' ' ' LEU . 0.4 OUTLIER -111.42 156.76 21.13 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 173.36 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 22.8 tp -53.32 -38.55 63.29 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 118.321 0.51 . . . . 0.0 110.844 176.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.54 -12.55 61.42 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 120.691 0.281 . . . . 0.0 111.721 176.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.402 ' HB2' ' HB3' ' A' ' 114' ' ' ARG . 86.4 mt -102.72 -5.69 23.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.803 0.335 . . . . 0.0 110.886 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.552 HD11 ' O ' ' A' ' 115' ' ' GLU . 7.2 mp -86.4 94.66 9.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.317 0.58 . . . . 0.0 110.328 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 26.1 t -88.42 144.84 8.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.367 -178.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 59.0 p -66.42 172.01 4.42 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.378 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.194 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.754 178.105 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.506 HG22 HG11 ' A' ' 102' ' ' VAL . 8.6 pt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.168 0.509 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.06 106.13 11.69 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.91 0.386 . . . . 0.0 110.825 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -106.92 125.26 50.78 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.271 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -78.43 100.44 6.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.424 -176.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -133.62 165.02 25.89 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.894 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -71.55 113.11 8.24 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.3 t -115.78 111.71 20.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.879 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.434 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 28.4 mt-10 -107.8 123.17 48.16 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.744 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.508 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 68.7 mt -97.49 119.16 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 171.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.651 HD22 HH11 ' A' ' 60' ' ' ARG . 1.8 pt? -141.69 160.82 39.4 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.423 0.63 . . . . 0.0 111.791 -174.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -130.69 77.96 1.81 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.6 -1.182 . . . . 0.0 108.431 172.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.6 -88.43 0.35 Allowed Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.856 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -89.83 -30.4 17.96 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -173.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -97.85 123.98 42.05 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -174.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -136.36 131.34 34.12 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.018 0.437 . . . . 0.0 111.46 -174.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 40.8 p90 -142.63 134.2 26.57 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.648 176.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.446 ' CD ' ' H ' ' A' ' 30' ' ' GLU . 0.7 OUTLIER -87.43 151.2 23.25 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.312 0.577 . . . . 0.0 111.134 -175.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.409 HG21 ' HD3' ' A' ' 46' ' ' PRO . 14.4 p -135.17 157.37 40.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.159 -176.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.403 HD23 ' N ' ' A' ' 32' ' ' LEU . 1.5 mm? -87.49 125.67 34.45 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.9 tp -75.6 143.64 42.22 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.831 -178.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -127.49 -70.84 0.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.274 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.702 ' OD2' ' HA ' ' A' ' 121' ' ' SER . 2.4 m-20 -130.1 158.62 39.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.419 -178.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.8 p -155.87 154.48 6.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.266 -178.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.485 ' HA ' HD21 ' A' ' 112' ' ' LEU . 59.5 p -155.37 -172.26 4.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.597 0.237 . . . . 0.0 110.536 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.587 ' HG ' ' HB3' ' A' ' 112' ' ' LEU . 25.9 mt -85.2 7.64 21.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.439 0.638 . . . . 0.0 109.286 177.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -110.67 -14.2 14.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.547 -176.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.472 ' HA3' ' O ' ' A' ' 85' ' ' PHE . . . 150.84 -137.6 6.17 Favored Glycine 0 N--CA 1.44 -1.087 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.64 -176.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.7 tt -161.62 149.29 4.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 -172.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 34.5 tp -127.9 117.12 21.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.916 0.389 . . . . 0.0 110.126 -177.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.8 m -126.29 -175.03 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.031 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -158.97 154.1 25.19 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.294 -0.955 . . . . 0.0 112.242 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 52.0 tp60 109.79 -30.58 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.094 0 C-N-CA 125.181 1.392 . . . . 0.0 114.718 172.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.409 ' HD3' HG21 ' A' ' 31' ' ' VAL . 74.2 Cg_exo -52.08 110.32 0.43 Allowed 'Trans proline' 0 C--N 1.363 1.325 0 CA-C-N 122.024 1.759 . . . . 0.0 111.567 173.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -69.98 -30.44 67.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.327 -171.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -150.24 -179.17 6.98 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.597 ' CZ2' HD12 ' A' ' 83' ' ' LEU . 94.6 m95 -134.75 -79.71 0.45 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.183 0.516 . . . . 0.0 110.69 -177.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.2 p30 . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.627 179.769 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 . . . . . 0 C--O 1.233 0.2 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -74.59 118.91 73.76 Favored Pre-proline 0 N--CA 1.448 -0.529 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.479 175.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.92 125.26 17.69 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.946 2.43 . . . . 0.0 112.778 -175.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -102.14 131.46 48.62 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 177.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.508 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 46.3 mt-10 -104.56 119.72 39.64 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.479 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -104.59 114.63 28.97 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 176.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.66 ' HB3' HD13 ' A' ' 68' ' ' LEU . 77.4 mtt85 -115.71 117.81 31.3 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.384 179.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.793 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 82.9 mt -99.73 107.3 19.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.119 -177.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -83.69 100.08 10.64 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.385 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.1 tp -98.02 -15.05 20.22 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.813 0.816 . . . . 0.0 109.096 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -161.75 -162.6 13.27 Favored Glycine 0 N--CA 1.442 -0.912 0 CA-C-N 114.478 -1.237 . . . . 0.0 110.171 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.6 mp -84.73 -32.67 23.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 117.241 0.521 . . . . 0.0 109.962 178.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -115.97 -11.59 11.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.457 176.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.4 t -86.88 84.38 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.374 0.606 . . . . 0.0 109.441 177.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.66 HD13 ' HB3' ' A' ' 60' ' ' ARG . 61.0 tp -115.11 118.38 33.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.522 -177.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.793 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 62.1 mt -89.43 97.56 7.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 173.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -103.18 125.48 49.89 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.271 0.557 . . . . 0.0 110.337 -176.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.5 ptm -137.67 121.86 18.03 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.532 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.494 ' HB3' ' HB3' ' A' ' 89' ' ' HIS . 35.8 tt0 -83.07 123.82 29.86 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 175.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.666 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 6.4 pt -132.55 157.05 42.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-O 121.64 0.733 . . . . 0.0 112.014 -170.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.6 t -121.98 124.92 45.16 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.144 -0.934 . . . . 0.0 108.785 176.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.7 tp -64.5 107.59 1.42 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.915 0.388 . . . . 0.0 110.467 -177.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -109.88 -4.79 15.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.422 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -129.86 149.12 51.73 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.848 -178.116 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -162.03 118.72 2.07 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-N 114.396 -1.275 . . . . 0.0 110.502 -176.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -142.89 73.43 1.4 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.033 178.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 56.46 -90.58 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.052 -179.217 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.0 -25.92 18.16 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.268 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 98.7 mt -88.2 135.0 33.64 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.597 HD12 ' CZ2' ' A' ' 49' ' ' TRP . 21.2 mt -135.51 131.82 36.54 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.67 0.271 . . . . 0.0 110.784 -174.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -122.42 139.27 12.52 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.434 -0.888 . . . . 0.0 112.269 -176.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.666 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 73.1 m-85 -118.18 144.96 45.3 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 120.795 0.331 . . . . 0.0 110.867 -177.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -93.83 130.57 39.81 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 172.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.514 ' HA ' HG21 ' A' ' 73' ' ' ILE . 27.1 p -68.85 126.89 31.18 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.754 0.312 . . . . 0.0 110.235 -179.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -112.89 -29.2 7.46 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.759 -177.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.494 ' HB3' ' HB3' ' A' ' 72' ' ' GLU . 3.6 t-160 -159.93 99.45 1.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.28 179.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 46.6 mt -106.22 132.47 53.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 176.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.432 ' O ' HG13 ' A' ' 95' ' ' ILE . 14.5 t70 -75.33 146.15 41.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.481 -178.127 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.28 -38.77 84.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.43 -176.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.36 -39.75 94.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.218 0.532 . . . . 0.0 109.874 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.508 ' HB3' HG21 ' A' ' 69' ' ' ILE . 39.4 m -66.29 -37.97 86.68 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.561 178.116 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 91' ' ' ASP . 74.2 mt -63.37 -44.49 99.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.477 177.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 100' ' ' ARG . 44.5 m -62.31 -40.2 95.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.978 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -63.62 -45.29 90.98 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 120.781 0.324 . . . . 0.0 110.428 176.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 53.3 tp -59.54 -56.99 14.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.841 -174.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -67.46 -40.48 85.34 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.278 -175.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 96' ' ' SER . 0.0 OUTLIER -61.86 -38.0 86.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.712 0.292 . . . . 0.0 110.636 177.81 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 43.3 tp -62.68 -53.77 49.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.104 177.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.506 HG11 HG22 ' A' ' 14' ' ' ILE . 65.3 t -59.74 -34.13 54.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.178 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -62.45 -52.7 62.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.879 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.9 mp -74.9 -21.8 59.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.896 0.379 . . . . 0.0 110.773 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.438 ' HB2' ' O ' ' A' ' 101' ' ' LEU . 7.1 t-20 -75.8 -19.85 58.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.456 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 63.72 40.44 7.77 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.824 -178.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -92.65 -9.59 61.18 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.74 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.5 t70 72.08 146.12 0.07 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.448 0.699 . . . . 0.0 110.794 -178.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -85.28 -4.34 59.12 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -173.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.565 ' O ' ' HG3' ' A' ' 114' ' ' ARG . 31.2 tt0 -59.97 -41.3 91.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.984 0.421 . . . . 0.0 110.408 -178.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 48.2 mt -57.79 -37.76 74.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.024 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.587 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . 96.6 mt -74.35 -25.06 59.29 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.517 -176.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -128.87 37.91 4.02 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.25 0.547 . . . . 0.0 111.721 -170.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.565 ' HG3' ' O ' ' A' ' 110' ' ' GLU . 73.5 mtm180 -93.14 -92.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 166.317 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -172.98 166.08 5.06 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 175.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.4 tp -68.31 -43.09 78.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 118.003 0.365 . . . . 0.0 110.075 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.65 -17.56 64.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.02 0.438 . . . . 0.0 110.707 174.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 85.8 mt -97.74 7.16 46.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.415 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.2 mp -119.82 117.87 29.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.342 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.5 t -126.87 141.42 46.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.702 ' HA ' ' OD2' ' A' ' 35' ' ' ASP . 38.9 p -61.47 169.03 2.47 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 123.524 0.515 . . . . 0.0 111.483 -175.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.365 0 O-C-N 123.808 0.693 . . . . 0.0 111.949 179.872 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.482 HG23 HG12 ' A' ' 36' ' ' VAL . 49.6 mm . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 120.573 0.225 . . . . 0.0 110.581 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 178.71 98.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 O-C-N 124.212 0.945 . . . . 0.0 109.38 175.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -115.35 156.24 25.87 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.05 -179.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -72.75 98.4 2.39 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.947 0.879 . . . . 0.0 110.39 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.57 150.9 49.83 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.267 175.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.52 ' HB3' ' HB2' ' A' ' 62' ' ' TYR . 9.2 t70 -87.29 130.16 34.71 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 177.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.404 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.1 p -130.92 124.58 31.43 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -172.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.549 ' OE2' ' HD3' ' A' ' 28' ' ' ARG . 47.6 mt-10 -109.05 126.36 53.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.743 172.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.596 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 1.8 mp -109.3 110.98 34.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 171.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -129.74 147.63 51.54 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.171 0.51 . . . . 0.0 112.133 -171.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.569 HE21 ' HH2' ' A' ' 29' ' ' TRP . 22.3 pt20 -117.22 100.23 7.57 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.493 172.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.98 -94.6 0.37 Allowed Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.867 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -109.88 -11.1 14.71 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -174.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 27' ' ' ARG . 8.4 tpp180 -103.47 116.44 32.4 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 -178.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.549 ' HD3' ' OE2' ' A' ' 21' ' ' GLU . 10.6 ptp180 -117.15 139.79 50.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.041 0.448 . . . . 0.0 111.648 -175.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.569 ' HH2' HE21 ' A' ' 24' ' ' GLN . 28.4 m-90 -117.38 108.01 15.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.577 175.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -71.57 105.29 3.59 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 172.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.827 HG21 ' H ' ' A' ' 32' ' ' LEU . 5.5 p -131.5 -177.77 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.131 -169.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.827 ' H ' HG21 ' A' ' 31' ' ' VAL . 95.3 mt -96.72 119.3 34.94 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -174.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.455 HD22 HD22 ' A' ' 61' ' ' LEU . 29.4 tp -72.01 146.21 47.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.125 171.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.4 ' H ' HD12 ' A' ' 33' ' ' LEU . 34.9 m-70 -133.73 -87.32 0.41 Allowed 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 119.661 -0.209 . . . . 0.0 110.807 177.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -118.51 162.89 17.6 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 -173.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.482 HG12 HG23 ' A' ' 14' ' ' ILE . 14.4 p -163.67 144.3 2.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 121.43 0.634 . . . . 0.0 111.86 -175.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.7 p -125.58 -175.99 3.48 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 173.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.7 mt -84.83 0.81 49.57 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.012 0.434 . . . . 0.0 110.66 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.651 ' ND1' ' HA ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -113.9 -18.63 11.72 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.113 0.483 . . . . 0.0 110.341 -178.752 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.74 159.15 24.05 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.353 -172.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.3 tt -122.41 144.88 30.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 -177.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.622 HD12 ' HB3' ' A' ' 82' ' ' LEU . 49.6 tp -118.74 111.59 18.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.96 0.41 . . . . 0.0 110.473 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.3 m -112.33 163.27 9.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.303 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -108.65 89.97 0.59 Allowed Glycine 0 N--CA 1.441 -0.989 0 C-N-CA 120.29 -0.957 . . . . 0.0 111.2 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -116.57 101.77 53.54 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-O 120.879 0.371 . . . . 0.0 110.844 -175.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -86.32 18.75 1.51 Allowed 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 123.053 2.502 . . . . 0.0 110.901 174.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -104.12 114.59 28.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.795 -177.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -71.19 156.15 39.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.19 0.519 . . . . 0.0 111.108 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -148.57 -167.7 2.89 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.776 177.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.534 HD22 ' HG3' ' A' ' 55' ' ' ARG . 28.1 p-10 . . . . . 0 C--N 1.331 -0.219 0 CA-C-O 120.782 0.325 . . . . 0.0 110.516 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.068 0.461 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.534 ' HG3' HD22 ' A' ' 50' ' ' ASN . 8.5 mmt180 -102.71 109.94 62.11 Favored Pre-proline 0 N--CA 1.449 -0.48 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.501 177.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -57.39 123.0 12.75 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 123.271 2.647 . . . . 0.0 112.503 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 40.9 m-85 -108.26 134.99 50.33 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.109 0.48 . . . . 0.0 110.033 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.596 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 39.6 mt-10 -103.97 128.43 51.51 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.351 -178.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -105.61 107.3 18.22 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 174.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.558 ' HG2' HD11 ' A' ' 68' ' ' LEU . 15.1 ttp180 -110.52 112.36 24.23 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -177.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.951 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 95.7 mt -99.91 123.71 44.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.906 -176.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.52 ' HB2' ' HB3' ' A' ' 19' ' ' ASP . 74.2 m-85 -104.46 112.76 25.95 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.989 -178.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -100.95 -14.98 17.66 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 167.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.71 179.11 46.97 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 176.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 73.4 mt -77.16 -14.78 59.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 117.95 0.875 . . . . 0.0 110.173 175.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -92.56 -50.78 5.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.374 176.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.4 t -90.05 99.75 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.426 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.558 HD11 ' HG2' ' A' ' 60' ' ' ARG . 60.2 tp -116.7 125.25 51.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.33 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.951 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 39.0 mt -100.02 131.61 47.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 175.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -137.08 120.25 16.7 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.004 0.431 . . . . 0.0 111.116 -170.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.7 ptm -145.34 128.97 17.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.026 0.441 . . . . 0.0 110.867 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.493 ' HB3' ' HB3' ' A' ' 89' ' ' HIS . 63.7 tt0 -90.57 130.12 36.64 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.626 177.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.522 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 11.5 pt -133.54 153.48 37.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.37 -173.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.42 ' HB2' ' CD ' ' A' ' 88' ' ' GLN . 32.8 t -108.19 145.62 33.97 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.445 177.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.583 ' HB2' ' CE1' ' A' ' 57' ' ' PHE . 57.8 tp -74.01 111.54 9.28 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.516 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -91.51 -53.0 4.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.772 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 56.1 p-90 -153.58 140.75 19.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.094 0.473 . . . . 0.0 111.475 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.522 ' HA ' ' HG ' ' A' ' 83' ' ' LEU . . . -118.42 100.03 7.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.784 176.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -96.64 74.59 2.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.661 -176.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 62.17 -77.91 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.564 -0.743 . . . . 0.0 112.505 178.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -110.2 -22.53 6.47 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.44 -178.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.622 ' HB3' HD12 ' A' ' 42' ' ' LEU . 79.7 mt -106.23 116.73 32.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.755 0.312 . . . . 0.0 110.564 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.522 ' HG ' ' HA ' ' A' ' 78' ' ' ALA . 8.0 mp -111.58 126.72 55.3 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.028 0.442 . . . . 0.0 111.254 -179.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.11 128.97 9.47 Favored Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.45 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.522 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 94.0 m-85 -114.02 149.05 35.98 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.959 0.409 . . . . 0.0 111.514 -176.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -87.37 124.21 33.14 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.723 175.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.506 ' HA ' HG22 ' A' ' 73' ' ' ILE . 87.5 m -78.67 120.98 24.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.881 0.372 . . . . 0.0 110.923 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.42 ' CD ' ' HB2' ' A' ' 74' ' ' SER . 35.9 mt-30 -110.63 -67.29 1.0 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.255 -175.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.493 ' HB3' ' HB3' ' A' ' 72' ' ' GLU . 83.6 t60 -116.74 101.04 8.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.568 -175.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.471 HD12 ' HB3' ' A' ' 87' ' ' CYS . 44.2 mt -109.63 132.18 58.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.785 179.022 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.515 ' O ' HG13 ' A' ' 95' ' ' ILE . 11.5 t70 -76.32 145.28 39.65 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.115 -179.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 98.2 mt -65.54 -42.35 92.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.668 -176.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -63.68 -39.72 95.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.194 0.521 . . . . 0.0 109.75 176.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.457 ' HB3' ' O ' ' A' ' 91' ' ' ASP . 30.2 t -55.57 -48.65 74.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.485 173.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 91' ' ' ASP . 73.7 mt -58.57 -44.44 89.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.566 178.141 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 47.6 t -56.36 -45.46 80.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.732 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -63.42 -49.78 72.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 110.605 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.81 -54.8 25.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.953 -173.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -68.34 -36.84 79.85 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.463 -173.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.44 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 36.5 ttp85 -70.56 -29.95 66.54 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.35 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 55.7 tp -64.53 -40.35 95.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.071 0.462 . . . . 0.0 109.972 175.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.807 HG21 HD13 ' A' ' 112' ' ' LEU . 59.2 t -64.97 -41.6 92.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.277 176.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -55.84 -50.42 70.64 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.712 174.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 96.3 mt -60.79 -30.47 70.06 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.898 -178.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -91.99 -16.58 26.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.403 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.0 mp 56.24 39.33 30.26 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.444 -176.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -90.28 27.35 8.56 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.648 -0.705 . . . . 0.0 113.305 -175.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.7 t70 70.16 131.13 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 121.293 0.568 . . . . 0.0 112.104 176.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -87.4 -18.96 28.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.603 -178.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -70.34 -19.38 63.06 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.941 -0.303 . . . . 0.0 110.238 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.786 ' HA ' ' HD2' ' A' ' 114' ' ' ARG . 76.2 mt -68.95 -23.78 64.19 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 120.861 0.362 . . . . 0.0 110.372 173.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.807 HD13 HG21 ' A' ' 102' ' ' VAL . 99.5 mt -87.43 -9.89 53.43 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.281 0.562 . . . . 0.0 109.584 174.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -122.93 29.96 6.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.351 -173.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.786 ' HD2' ' HA ' ' A' ' 111' ' ' LEU . 6.2 mtp180 -77.64 -97.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 172.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.651 ' HA ' ' ND1' ' A' ' 39' ' ' HIS . 0.0 OUTLIER 178.05 158.38 0.45 Allowed 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 172.435 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 56.1 tp -58.56 -39.29 79.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 118.238 0.472 . . . . 0.0 110.119 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -74.98 -10.63 59.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.304 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 79.2 mt -104.02 -0.48 28.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.778 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.612 HD13 ' O ' ' A' ' 115' ' ' GLU . 5.4 mp -89.73 104.48 17.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.395 0.617 . . . . 0.0 111.523 -178.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.807 HG12 ' H ' ' A' ' 121' ' ' SER . 2.7 t -95.48 -168.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 173.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.807 ' H ' HG12 ' A' ' 120' ' ' VAL . 6.7 p -80.43 171.59 14.86 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 121.871 -0.518 . . . . 0.0 110.428 -179.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.292 0 CA-C-O 120.949 0.404 . . . . 0.0 111.128 -179.39 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 26.7 mm . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.442 ' HA ' ' O ' ' A' ' 34' ' ' HIS . . . -163.01 120.98 1.99 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.285 178.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -105.52 159.31 16.04 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -178.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -95.51 30.15 2.36 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.784 0.802 . . . . 0.0 109.511 173.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.51 144.84 41.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.815 175.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -67.89 123.82 21.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.96 0.41 . . . . 0.0 110.358 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.4 t -123.18 130.73 53.15 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.113 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -124.98 122.77 38.28 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.944 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.513 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 53.1 mt -97.01 130.96 44.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 176.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.506 ' HB2' ' HB2' ' A' ' 58' ' ' GLU . 17.8 mt -121.85 140.36 52.48 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.469 -172.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.02 80.41 1.7 Allowed 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 167.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.68 -98.38 0.24 Allowed Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.955 -175.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -89.04 -22.59 22.88 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.562 0.22 . . . . 0.0 111.409 -178.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -82.7 113.53 20.43 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 120.774 0.321 . . . . 0.0 110.482 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -108.92 126.66 53.31 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.606 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 7.6 m-90 -121.17 121.7 38.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.539 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -81.91 104.96 12.65 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 174.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.486 HG13 HG13 ' A' ' 22' ' ' ILE . 10.9 p -106.92 158.55 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.718 -167.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tt -87.12 110.04 19.85 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 175.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.7 tp -66.57 140.48 57.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.079 -178.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.442 ' O ' ' HA ' ' A' ' 15' ' ' ALA . 47.3 m-70 -127.65 -95.66 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.366 177.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.572 ' OD2' ' HA ' ' A' ' 121' ' ' SER . 1.5 m-20 -118.73 148.47 42.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.64 0.257 . . . . 0.0 110.312 -170.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.8 p -140.63 151.72 20.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.717 0.294 . . . . 0.0 111.074 -175.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 77.4 p -142.94 -176.38 4.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.823 176.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 46.1 tp -83.35 -4.91 58.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.512 0.672 . . . . 0.0 109.624 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.645 ' HD1' ' HA ' ' A' ' 115' ' ' GLU . 6.3 m170 -98.45 -17.23 18.88 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-O 121.798 0.809 . . . . 0.0 109.475 -176.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.597 ' HA3' ' O ' ' A' ' 85' ' ' PHE . . . 154.72 -150.75 22.39 Favored Glycine 0 N--CA 1.442 -0.915 0 CA-C-N 114.424 -1.262 . . . . 0.0 112.006 -175.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.2 tt -153.8 150.27 12.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.723 0.261 . . . . 0.0 111.063 -173.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.563 HD11 ' HB3' ' A' ' 82' ' ' LEU . 24.8 tp -122.24 123.52 41.65 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.4 m -128.97 178.57 4.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.841 0.353 . . . . 0.0 111.46 -177.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -120.24 108.42 1.44 Allowed Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 174.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.446 ' OE1' ' HD2' ' A' ' 46' ' ' PRO . 7.5 tp60 -101.48 134.27 20.36 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-O 120.47 0.176 . . . . 0.0 111.423 -171.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.446 ' HD2' ' OE1' ' A' ' 45' ' ' GLN . 53.3 Cg_endo -70.73 172.31 13.83 Favored 'Trans proline' 0 C--O 1.236 0.398 0 C-N-CA 122.666 2.244 . . . . 0.0 111.531 172.29 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -75.44 88.26 2.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.0 0.429 . . . . 0.0 112.087 -176.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -166.33 20.25 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.818 0.818 . . . . 0.0 108.863 171.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 51.0 t-105 -70.07 130.03 41.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.8 -174.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.399 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 . . . . . 0 N--CA 1.451 -0.397 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.411 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 10.2 mmt180 -109.88 129.41 23.96 Favored Pre-proline 0 N--CA 1.447 -0.6 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.006 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.62 133.83 60.48 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.867 2.378 . . . . 0.0 111.505 172.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 29.0 m-85 -115.08 145.61 42.15 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.513 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 45.4 mt-10 -118.39 141.52 48.46 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.645 0.26 . . . . 0.0 110.823 -178.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.447 ' HB2' ' CG ' ' A' ' 71' ' ' MET . . . -116.82 113.28 22.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.234 175.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -104.59 114.96 29.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.024 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.595 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 86.3 mt -110.08 120.0 41.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.775 0.322 . . . . 0.0 111.181 -177.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -93.64 111.04 22.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.895 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -112.34 -4.44 14.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.406 0.622 . . . . 0.0 109.777 176.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.83 -178.48 48.06 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 178.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.7 mp -72.34 -34.85 68.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.172 0.486 . . . . 0.0 110.137 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -99.77 -29.76 12.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.831 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -84.29 87.44 2.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.194 0.521 . . . . 0.0 110.674 -176.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.2 tp -109.9 120.05 41.27 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.71 177.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.595 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 69.3 mt -105.95 114.06 44.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.188 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 -112.09 149.94 31.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.059 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.447 ' CG ' ' HB2' ' A' ' 59' ' ' ALA . 23.1 ptm -150.15 121.99 8.15 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.967 175.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -82.67 126.79 32.74 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.56 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 5.8 pt -137.87 177.96 4.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.948 -172.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.545 ' HB2' ' NE2' ' A' ' 88' ' ' GLN . 18.3 t -146.18 160.46 41.93 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 170.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.558 ' HB2' ' CE1' ' A' ' 57' ' ' PHE . 11.9 tp -77.56 124.01 27.36 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.111 -0.635 . . . . 0.0 110.835 -175.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -135.12 12.72 3.58 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.217 0.532 . . . . 0.0 110.208 177.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.675 ' HB2' HD21 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -160.22 147.5 16.21 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.365 -176.864 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -162.3 115.32 1.73 Allowed 'General case' 0 C--N 1.292 -1.901 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.638 -178.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.477 ' HB2' ' CZ3' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -136.23 84.33 2.07 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 175.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 50.34 37.38 15.16 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 168.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 127.21 -39.19 1.99 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.617 -0.802 . . . . 0.0 111.545 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.563 ' HB3' HD11 ' A' ' 42' ' ' LEU . 94.6 mt -80.81 113.18 18.83 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 175.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.462 ' O ' ' HA ' ' A' ' 42' ' ' LEU . 83.4 mt -105.38 128.16 53.36 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.255 -177.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.538 ' HA3' ' HB3' ' A' ' 77' ' ' TRP . . . -109.75 132.45 11.05 Favored Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 178.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.597 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 91.5 m-85 -116.38 139.79 50.04 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 120.782 0.325 . . . . 0.0 110.982 -176.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -87.15 131.91 34.02 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 173.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.513 ' HA ' HG22 ' A' ' 73' ' ' ILE . 28.5 p -75.68 137.86 40.95 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.016 0.436 . . . . 0.0 111.423 -175.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.545 ' NE2' ' HB2' ' A' ' 74' ' ' SER . 66.6 mt-30 -109.22 -65.14 1.17 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.173 174.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 49.0 t60 -130.13 105.62 8.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.052 -177.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 26.4 mt -111.19 112.56 41.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 170.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.433 ' O ' HG13 ' A' ' 95' ' ' ILE . 6.5 m-20 -59.93 141.06 56.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.418 -178.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 34.3 tp -60.19 -27.2 66.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.359 0.599 . . . . 0.0 109.829 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.16 -48.69 69.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.223 177.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.495 ' HB2' HG22 ' A' ' 69' ' ' ILE . 9.7 p -70.41 -33.07 70.94 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.524 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 91' ' ' ASP . 81.7 mt -58.44 -49.25 82.83 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 172.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.1 t -56.93 -46.39 82.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.911 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -62.48 -47.08 85.55 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.055 -178.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.442 ' HB2' HD12 ' A' ' 69' ' ' ILE . 51.7 tp -70.57 -44.49 67.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.29 -175.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 30.7 ttp85 -64.98 -43.43 92.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.578 -177.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -70.27 -26.41 63.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.537 -177.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 63.3 tp -61.24 -46.19 91.41 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.212 0.529 . . . . 0.0 109.624 174.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 49.3 t -67.06 -37.77 79.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.288 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -60.29 -53.98 51.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.236 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.89 -24.96 66.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.599 -176.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -95.19 0.0 53.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.243 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 79.5 mt 51.87 41.7 29.59 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.232 0.539 . . . . 0.0 110.865 -178.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -83.62 1.7 88.36 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.755 -176.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 64.69 104.96 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 123.141 0.576 . . . . 0.0 111.18 -178.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -73.4 1.97 8.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.668 -176.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -57.31 -41.9 80.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.811 174.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.412 ' HA ' ' HG3' ' A' ' 114' ' ' ARG . 74.2 mt -74.76 -8.99 58.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.494 -174.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.488 ' O ' HD21 ' A' ' 112' ' ' LEU . 7.9 tt -86.22 -10.75 54.08 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 177.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.424 ' O ' ' HE1' ' A' ' 39' ' ' HIS . 30.5 tt0 -105.26 11.89 32.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.037 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.475 ' HB2' ' CD1' ' A' ' 119' ' ' LEU . 80.7 mtm180 -70.88 130.42 41.59 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 174.181 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.645 ' HA ' ' HD1' ' A' ' 39' ' ' HIS . 7.4 tp10 -62.98 161.07 13.67 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.675 HD21 ' HB2' ' A' ' 77' ' ' TRP . 36.3 tp -57.41 -42.1 81.62 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 118.075 0.398 . . . . 0.0 110.343 175.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.75 -23.21 67.08 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.735 172.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.552 ' HG ' ' HB3' ' A' ' 115' ' ' GLU . 68.9 mt -96.06 -7.08 37.15 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.092 0.472 . . . . 0.0 110.527 178.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.475 ' CD1' ' HB2' ' A' ' 114' ' ' ARG . 5.3 tp -89.76 80.39 6.55 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 121.38 0.609 . . . . 0.0 110.412 -169.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 8.9 p -97.39 150.12 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 172.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.572 ' HA ' ' OD2' ' A' ' 35' ' ' ASP . 9.8 t -81.15 165.23 21.74 Favored 'General case' 0 C--N 1.313 -0.985 0 C-N-CA 120.32 -0.552 . . . . 0.0 111.407 -170.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.537 170.946 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.0 pt . . . . . 0 CA--C 1.519 -0.217 0 CA-C-O 121.532 0.682 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.451 ' HA ' HD21 ' A' ' 33' ' ' LEU . . . -128.08 84.38 2.24 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.853 -176.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -77.0 142.52 39.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.607 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -69.74 90.22 0.58 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.621 0.724 . . . . 0.0 111.564 -176.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -131.91 116.03 16.65 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.98 -1.009 . . . . 0.0 108.71 174.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.479 ' O ' ' HD2' ' A' ' 62' ' ' TYR . 64.7 m-20 -56.91 120.78 8.52 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -178.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 60' ' ' ARG . 23.2 t -107.2 110.08 22.05 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.21 -177.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -96.82 120.3 36.9 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 175.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.458 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 65.9 mt -96.62 113.78 31.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.56 175.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.423 HD23 ' HG2' ' A' ' 28' ' ' ARG . 61.8 mt -99.21 137.65 37.42 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.69 -177.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -109.52 37.42 2.63 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 170.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.23 -62.59 4.54 Favored Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.35 -173.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.496 ' HG3' ' HG3' ' A' ' 27' ' ' ARG . 12.7 pt-20 -100.76 -37.63 8.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.645 0.259 . . . . 0.0 111.527 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.496 ' HG3' ' HG3' ' A' ' 26' ' ' GLU . 51.5 mtp85 -88.08 139.44 30.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.629 0.252 . . . . 0.0 111.023 -174.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.423 ' HG2' HD23 ' A' ' 23' ' ' LEU . 98.6 mtt180 -121.65 111.21 16.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.623 -177.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 -110.98 103.47 11.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.309 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -79.17 108.89 13.0 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 174.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.6 p -123.33 159.35 27.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.152 -172.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.2 mp -88.07 141.24 28.73 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.758 177.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.463 HD12 ' HB ' ' A' ' 36' ' ' VAL . 8.7 tt -83.75 131.47 34.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.672 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -103.73 -43.38 5.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.761 0.315 . . . . 0.0 110.791 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -160.09 137.23 9.38 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 175.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.463 ' HB ' HD12 ' A' ' 33' ' ' LEU . 14.7 p -129.07 149.41 33.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.772 0.32 . . . . 0.0 110.3 -175.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.8 p -164.98 -168.01 1.34 Allowed 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 120.585 0.231 . . . . 0.0 111.164 -177.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.4 mt -89.94 -15.48 31.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.23 -177.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -98.09 5.9 48.14 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.004 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.55 -159.91 24.62 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.305 -0.95 . . . . 0.0 112.624 -178.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.9 tt -159.28 149.54 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.634 0.254 . . . . 0.0 110.415 -174.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 119' ' ' LEU . 38.5 tp -116.45 129.54 56.27 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.277 176.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.2 m -127.1 170.58 16.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.197 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -132.23 100.11 0.41 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.984 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.446 HE21 HD13 ' A' ' 22' ' ' ILE . 69.0 mt-30 -95.69 147.58 33.23 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-O 120.587 0.232 . . . . 0.0 110.509 -179.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 45' ' ' GLN . 24.4 Cg_exo -62.76 -77.03 0.02 OUTLIER 'Trans proline' 0 CA--C 1.533 0.471 0 C-N-CA 123.054 2.503 . . . . 0.0 113.762 -177.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -140.67 -40.6 0.41 Allowed 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -174.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -70.11 108.0 3.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.82 0.343 . . . . 0.0 110.845 -175.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -167.56 137.84 2.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.817 -177.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 . . . . . 0 C--N 1.324 -0.513 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 177.137 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 . . . . . 0 CA--C 1.511 -0.544 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 55' ' ' ARG . 9.6 ttm180 -111.48 113.52 53.51 Favored Pre-proline 0 N--CA 1.433 -1.28 0 CA-C-N 114.25 -1.341 . . . . 0.0 110.251 -172.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.73 112.92 1.09 Allowed 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.988 2.459 . . . . 0.0 112.667 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -106.47 134.7 49.2 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 177.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.458 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 43.0 mt-10 -108.2 114.13 27.79 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.193 -171.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.83 121.98 39.28 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.771 0.32 . . . . 0.0 110.649 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.435 ' O ' ' HA ' ' A' ' 20' ' ' SER . 70.7 mtp180 -111.41 113.4 25.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.25 178.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.632 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 97.8 mt -99.83 114.03 26.94 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.081 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.479 ' HD2' ' O ' ' A' ' 19' ' ' ASP . 87.3 m-85 -94.32 103.77 15.77 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.225 -177.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.478 HD22 HD12 ' A' ' 69' ' ' ILE . 4.3 mm? -97.09 -4.17 39.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.899 0.857 . . . . 0.0 108.728 171.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.84 -159.22 25.67 Favored Glycine 0 N--CA 1.441 -0.983 0 N-CA-C 109.771 -1.332 . . . . 0.0 109.771 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.7 tp -101.91 -28.34 12.46 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 176.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -92.43 -17.5 24.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.06 176.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.6 t -105.31 99.81 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.746 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.6 tp -125.59 100.7 6.57 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.747 -175.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.632 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 2.3 mp -84.64 101.78 9.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -109.64 119.84 40.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.107 0.479 . . . . 0.0 110.609 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.8 ptp -125.66 131.35 52.65 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.317 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.52 ' HB3' ' HB3' ' A' ' 89' ' ' HIS . 34.9 tt0 -97.84 104.26 16.27 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.518 HG23 ' HA ' ' A' ' 87' ' ' CYS . 4.0 pt -110.31 169.95 3.49 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.359 -168.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.515 ' HB2' HE21 ' A' ' 88' ' ' GLN . 23.2 t -120.04 136.89 54.4 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.629 178.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.2 tp -68.62 122.37 18.36 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.309 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.492 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -94.72 -56.32 2.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.897 0.38 . . . . 0.0 110.564 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 65.8 p-90 -144.19 147.45 33.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.77 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -130.34 122.91 28.78 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.785 177.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -132.03 103.08 6.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.649 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.3 t70 64.77 -84.45 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.228 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -128.47 -10.33 3.35 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.995 178.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 80.4 mt -85.31 116.2 23.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.932 0.396 . . . . 0.0 110.07 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 41.5 mt -113.58 114.66 26.78 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.206 -175.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -100.57 121.38 7.22 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 121.015 -0.612 . . . . 0.0 111.809 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.429 ' CB ' HD11 ' A' ' 73' ' ' ILE . 81.3 m-85 -113.7 148.52 36.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.73 0.3 . . . . 0.0 110.916 -178.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.492 ' HG3' ' HB3' ' A' ' 76' ' ' ALA . 50.6 mt-10 -108.89 150.09 28.19 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.88 174.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.518 ' HA ' HG23 ' A' ' 73' ' ' ILE . 11.7 p -73.91 119.21 17.82 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.999 -177.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.515 HE21 ' HB2' ' A' ' 74' ' ' SER . 3.0 tp-100 -105.94 -63.17 1.28 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.295 0.569 . . . . 0.0 110.014 -178.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.52 ' HB3' ' HB3' ' A' ' 72' ' ' GLU . 19.3 t60 -116.68 99.33 7.06 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.539 -0.755 . . . . 0.0 108.975 177.011 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.1 mt -96.72 124.82 49.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.037 -178.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -69.39 143.95 53.52 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.4 mp -60.01 -39.47 85.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.064 0.459 . . . . 0.0 110.582 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -69.24 -34.57 75.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.995 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 48.3 t -60.7 -46.74 89.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.151 176.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 64.4 mt -60.54 -44.81 97.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.363 178.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' A' ' 100' ' ' ARG . 42.8 t -57.07 -57.78 11.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.342 -178.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -64.74 -33.67 76.51 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -175.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.97 -59.21 5.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.903 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 99' ' ' ARG . 24.5 ttt180 -68.98 -36.71 78.17 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.789 -179.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' A' ' 96' ' ' SER . 0.0 OUTLIER -58.08 -42.81 86.38 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -178.547 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 57.3 tp -68.35 -52.21 35.82 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 121.056 -0.258 . . . . 0.0 110.895 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.623 HG23 HD21 ' A' ' 112' ' ' LEU . 61.0 t -64.7 -36.23 76.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 120.908 0.385 . . . . 0.0 111.723 -176.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -69.4 -52.2 29.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.169 -176.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.1 mp -70.38 -27.38 64.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.747 0.308 . . . . 0.0 111.139 -178.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -76.59 -13.62 60.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.205 0.526 . . . . 0.0 109.596 176.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.414 ' HA ' HD21 ' A' ' 106' ' ' LEU . 0.2 OUTLIER 64.22 43.86 4.68 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.781 -179.819 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -89.11 -2.76 77.13 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 174.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.6 t70 72.55 144.69 0.07 Allowed 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.807 0.843 . . . . 0.0 110.899 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -77.9 -8.06 57.58 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.221 -0.3 . . . . 0.0 110.719 -177.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -54.75 -39.74 68.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.199 0.523 . . . . 0.0 110.13 176.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 89.9 mt -70.78 -23.28 62.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.293 -178.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.623 HD21 HG23 ' A' ' 102' ' ' VAL . 94.8 mt -81.33 -21.71 39.01 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 122.143 -0.348 . . . . 0.0 110.371 178.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -110.48 23.66 13.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.715 -172.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 70.2 mtm180 -77.18 -169.17 1.28 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 173.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.453 ' O ' HD12 ' A' ' 119' ' ' LEU . 7.1 mm-40 -109.92 149.36 30.02 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 175.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 61.7 tp -54.25 -34.74 61.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.77 0.319 . . . . 0.0 110.781 175.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.4 -13.73 62.5 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.737 176.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 79.3 mt -96.33 -10.68 27.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.953 0.406 . . . . 0.0 110.533 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.453 HD12 ' O ' ' A' ' 115' ' ' GLU . 9.8 mp -94.01 105.05 17.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.49 0.662 . . . . 0.0 110.277 -178.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.943 HG12 ' H ' ' A' ' 121' ' ' SER . 3.5 t -118.01 -164.17 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 114.743 -1.117 . . . . 0.0 108.957 -176.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.943 ' H ' HG12 ' A' ' 120' ' ' VAL . 72.7 m -90.53 172.22 8.86 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 122.449 0.299 . . . . 0.0 111.226 -177.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.201 0 O-C-N 123.727 0.642 . . . . 0.0 110.594 175.802 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.9 mm . . . . . 0 N--CA 1.45 -0.456 0 CA-C-O 121.985 0.898 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.482 ' HB1' ' O ' ' A' ' 34' ' ' HIS . . . -171.03 126.54 0.69 Allowed 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 113.744 -1.571 . . . . 0.0 108.46 176.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.461 ' HD2' HD11 ' A' ' 63' ' ' LEU . 1.7 m-85 -94.11 9.35 38.14 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -174.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.8 t70 54.11 81.35 0.1 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.078 -177.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 62' ' ' TYR . . . -135.17 174.78 10.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.996 -172.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.534 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 8.9 m-20 -81.32 108.95 15.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.643 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.426 ' HB3' HD23 ' A' ' 61' ' ' LEU . 4.0 p -118.44 120.4 37.44 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.076 -177.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -115.68 136.53 52.97 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.066 178.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.528 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 84.9 mt -103.33 118.89 51.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 173.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.627 HD21 ' HG2' ' A' ' 28' ' ' ARG . 24.4 mt -99.05 113.61 25.89 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.476 -177.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.409 HE21 ' HB2' ' A' ' 55' ' ' ARG . 61.4 tt0 -93.07 79.94 4.55 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 173.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.91 -72.02 1.1 Allowed Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.045 -176.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -132.49 -20.11 2.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.822 0.344 . . . . 0.0 111.151 -177.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.423 ' HD3' ' H ' ' A' ' 28' ' ' ARG . 9.5 tpp180 -91.13 129.64 37.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.153 0.501 . . . . 0.0 110.017 -176.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.627 ' HG2' HD21 ' A' ' 23' ' ' LEU . 24.7 mtt85 -109.4 121.76 45.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.223 -169.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 7.6 m-90 -108.4 123.34 48.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.761 176.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -80.37 103.2 10.07 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 174.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.801 HG23 ' HB2' ' A' ' 45' ' ' GLN . 7.1 p -105.69 161.04 5.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.194 -174.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.411 HD11 ' N ' ' A' ' 32' ' ' LEU . 6.2 mp -97.41 115.45 27.76 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 64.5 tp -60.29 138.54 57.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.028 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.648 ' HB2' ' HA ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -127.67 -79.15 0.58 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.083 -170.915 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.403 ' CG ' ' HA ' ' A' ' 121' ' ' SER . 5.7 m-20 -143.86 110.94 5.74 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -173.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.6 p -120.87 147.51 24.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.045 0.45 . . . . 0.0 112.077 -172.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.1 p -131.43 -179.32 5.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.645 176.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 61.2 mt -81.71 -1.35 46.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.287 0.565 . . . . 0.0 110.182 177.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.796 ' HD1' ' HA ' ' A' ' 115' ' ' GLU . 2.4 m170 -107.82 -16.03 14.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.684 0.754 . . . . 0.0 109.911 -173.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.493 ' HA2' ' SG ' ' A' ' 87' ' ' CYS . . . 165.93 165.55 23.47 Favored Glycine 0 N--CA 1.443 -0.866 0 CA-C-N 114.614 -1.175 . . . . 0.0 111.523 -171.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.1 tt -125.87 128.2 71.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.055 0.455 . . . . 0.0 111.039 -175.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.687 HD12 ' HB3' ' A' ' 82' ' ' LEU . 65.6 tp -104.13 121.17 42.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.391 175.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.648 ' HA ' ' HB2' ' A' ' 34' ' ' HIS . 15.7 m -124.76 170.57 14.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.584 178.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -128.57 124.81 4.79 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 111.126 -0.789 . . . . 0.0 111.126 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.801 ' HB2' HG23 ' A' ' 31' ' ' VAL . 27.4 tt0 -138.82 98.69 8.58 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 116.95 0.375 . . . . 0.0 111.052 -178.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -80.6 47.35 2.53 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.904 2.403 . . . . 0.0 111.477 175.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -129.42 171.62 12.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.76 -177.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.19 122.72 22.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.161 0.505 . . . . 0.0 110.113 177.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -127.66 146.86 50.41 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.212 -171.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.043 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 . . . . . 0 CA--C 1.518 -0.28 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.466 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 15.5 mmt180 -110.47 107.11 58.3 Favored Pre-proline 0 N--CA 1.448 -0.558 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.038 178.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -58.84 134.86 63.08 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.701 2.268 . . . . 0.0 111.54 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -104.57 135.96 45.02 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.147 0.499 . . . . 0.0 110.739 -175.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.528 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 59.9 mm-40 -107.24 127.57 53.65 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.202 178.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.89 107.95 20.55 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 175.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -107.48 105.27 15.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.832 -178.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.692 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 61.8 mt -104.4 115.09 29.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.413 -175.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.534 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 87.5 m-85 -93.24 110.56 22.08 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.613 176.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.461 HD11 ' HD2' ' A' ' 16' ' ' PHE . 4.4 mm? -100.26 -19.97 16.12 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.352 0.596 . . . . 0.0 109.793 174.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -158.59 -158.62 9.14 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.963 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -81.21 -39.34 25.56 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -108.78 -21.81 12.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.373 . . . . 0.0 110.392 177.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.4 t -75.47 95.0 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.37 -177.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 61' ' ' LEU . 42.1 tp -117.61 130.45 56.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.218 -178.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.692 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 59.7 mt -110.12 114.01 45.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -120.71 139.79 52.56 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.918 0.39 . . . . 0.0 110.626 -176.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.3 ptp -147.67 136.14 21.67 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.157 177.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.465 ' HB3' ' HB3' ' A' ' 89' ' ' HIS . 30.4 tt0 -80.74 112.74 18.4 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 175.26 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.574 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 17.5 pt -121.45 145.67 27.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.341 0.591 . . . . 0.0 111.617 -175.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.6 t -112.3 136.98 51.08 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.521 -0.763 . . . . 0.0 108.979 176.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 37.1 tp -71.36 111.9 7.06 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.97 0.414 . . . . 0.0 110.927 -176.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -92.06 -46.57 7.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.058 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 -157.75 148.15 20.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.888 0.375 . . . . 0.0 111.084 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -142.81 121.65 12.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.558 175.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -145.64 139.9 26.95 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.048 -176.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.6 t70 66.91 -89.6 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.827 0.705 . . . . 0.0 110.927 178.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -143.28 7.23 2.04 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 175.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.687 ' HB3' HD12 ' A' ' 42' ' ' LEU . 96.8 mt -111.4 132.47 54.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.49 -0.355 . . . . 0.0 110.315 -176.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.9 mp -120.35 124.03 44.55 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.341 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.87 111.27 3.48 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 121.105 -0.569 . . . . 0.0 111.798 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.574 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 77.8 m-85 -102.31 146.48 27.97 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -96.7 133.21 41.52 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.493 ' SG ' ' HA2' ' A' ' 40' ' ' GLY . 83.0 m -86.62 113.34 22.42 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.327 -176.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -92.91 -61.09 1.65 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.721 0.296 . . . . 0.0 110.848 176.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.465 ' HB3' ' HB3' ' A' ' 72' ' ' GLU . 22.1 t60 -116.62 100.78 8.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.88 0.372 . . . . 0.0 110.575 -176.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 21.3 mt -101.66 128.09 54.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 175.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.473 ' O ' HG13 ' A' ' 95' ' ' ILE . 9.1 t70 -67.79 137.69 55.58 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -178.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.82 -30.65 70.97 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.118 0.261 . . . . 0.0 111.35 -177.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -67.16 -43.02 83.32 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 175.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.493 ' HB3' HG22 ' A' ' 69' ' ' ILE . 51.5 m -67.34 -38.84 85.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.934 178.354 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 91' ' ' ASP . 78.5 mt -58.66 -45.6 90.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 121.026 0.441 . . . . 0.0 110.021 174.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.9 m -62.24 -40.65 96.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.742 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -60.42 -51.17 70.62 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.839 0.352 . . . . 0.0 110.189 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -57.65 -58.96 6.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.718 -177.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -60.52 -49.02 79.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.76 -175.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -67.6 -40.54 84.73 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -175.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 44.8 tp -62.82 -42.94 99.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.884 0.373 . . . . 0.0 110.839 -177.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 54.5 t -71.37 -39.88 72.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.607 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -67.7 -39.69 84.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.143 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 77.5 mt -60.15 -33.6 72.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.85 0.357 . . . . 0.0 111.14 177.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -87.07 -30.08 21.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.07 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.13 32.74 19.61 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.421 0.629 . . . . 0.0 109.832 -177.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -81.57 52.68 4.59 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.631 -177.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 58.76 80.98 0.17 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.552 0.691 . . . . 0.0 111.499 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.25 2.68 42.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.801 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -67.68 -19.24 65.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.523 0.678 . . . . 0.0 110.314 177.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.445 HD23 HH21 ' A' ' 114' ' ' ARG . 61.2 mt -71.41 -35.43 71.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.606 -0.724 . . . . 0.0 112.044 -175.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.0 pp -87.1 5.17 39.04 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -170.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -115.16 21.4 14.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.163 0.506 . . . . 0.0 111.274 -177.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.478 ' HB2' HD11 ' A' ' 119' ' ' LEU . 34.6 mtt180 -79.96 -91.37 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 174.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.796 ' HA ' ' HD1' ' A' ' 39' ' ' HIS . 9.0 tp10 -179.84 161.05 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 178.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 61.6 tp -54.6 -50.58 67.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 118.132 0.424 . . . . 0.0 110.572 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.22 -4.0 36.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.992 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.2 mt -104.06 -7.83 19.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.677 0.275 . . . . 0.0 110.996 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.478 HD11 ' HB2' ' A' ' 114' ' ' ARG . 3.9 mp -92.63 116.59 29.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.219 0.533 . . . . 0.0 110.674 179.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.3 p -107.8 136.14 44.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 115.414 -0.812 . . . . 0.0 108.864 176.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.403 ' HA ' ' CG ' ' A' ' 35' ' ' ASP . 56.7 p -65.21 171.67 3.6 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.252 -173.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.301 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.083 172.331 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.578 HG21 ' H ' ' A' ' 15' ' ' ALA . 26.5 mm . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.578 ' H ' HG21 ' A' ' 14' ' ' ILE . . . 81.07 -43.04 0.18 Allowed 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.027 0.931 . . . . 0.0 110.488 -177.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 61.05 13.74 4.86 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.286 173.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 57.37 27.87 14.47 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.229 0.537 . . . . 0.0 110.56 -174.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.42 175.4 8.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.163 178.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.529 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 69.7 m-20 -95.76 127.53 41.87 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.232 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.2 p -127.88 133.32 49.31 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.246 -177.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -122.42 150.9 41.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.33 176.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.481 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 66.6 mt -114.18 129.7 69.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 172.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.471 HD13 ' HD2' ' A' ' 60' ' ' ARG . 63.8 mt -113.28 152.93 29.24 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.366 -174.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -147.03 92.33 2.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.297 -0.865 . . . . 0.0 108.883 171.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.15 -93.94 0.44 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.283 -174.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.58 2.29 10.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.845 0.355 . . . . 0.0 110.606 174.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -75.58 140.06 42.44 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 172.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.2 ptt-85 -146.18 119.22 8.79 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.025 0.44 . . . . 0.0 111.504 -177.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.502 ' HH2' ' HB2' ' A' ' 50' ' ' ASN . 29.9 m-90 -114.97 115.34 26.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.942 178.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -73.9 104.73 4.88 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 171.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.648 HG23 ' HG2' ' A' ' 45' ' ' GLN . 8.2 p -115.37 168.65 6.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.539 -167.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.508 ' H ' HG22 ' A' ' 31' ' ' VAL . 45.1 tp -90.32 111.53 22.78 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.21 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.499 HD23 ' HA ' ' A' ' 15' ' ' ALA . 45.3 tp -74.5 148.01 41.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.987 175.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -124.1 -80.53 0.62 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.808 0.337 . . . . 0.0 111.212 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.501 ' OD2' ' HA ' ' A' ' 121' ' ' SER . 5.4 m-20 -134.09 165.4 25.15 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -173.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.502 HG12 ' CG2' ' A' ' 14' ' ' ILE . 7.6 p -160.35 153.71 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.188 0.518 . . . . 0.0 111.577 -176.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.489 ' HA ' ' HA ' ' A' ' 112' ' ' LEU . 70.1 p -138.7 -178.9 5.52 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 172.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 69.5 mt -83.64 3.94 30.67 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.426 0.632 . . . . 0.0 109.621 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.849 ' HD1' ' HA ' ' A' ' 115' ' ' GLU . 1.6 m170 -117.21 -10.29 10.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.054 -174.145 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 168.11 156.16 9.99 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.405 -174.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.439 ' CG2' ' HB2' ' A' ' 85' ' ' PHE . 11.8 tt -122.19 145.26 29.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.592 0.234 . . . . 0.0 110.389 -178.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.784 HD11 ' HB3' ' A' ' 82' ' ' LEU . 47.2 tp -121.64 117.16 26.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.396 -177.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.7 m -120.19 171.09 9.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.738 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -121.94 113.56 2.29 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.221 177.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.648 ' HG2' HG23 ' A' ' 31' ' ' VAL . 21.5 mt-30 -113.3 145.88 34.15 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-O 120.441 0.162 . . . . 0.0 110.652 -176.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -62.56 -59.28 0.26 Allowed 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 122.622 2.215 . . . . 0.0 112.429 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 179.12 -41.38 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.239 -179.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -58.72 130.58 47.58 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.907 0.384 . . . . 0.0 111.344 -176.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.454 ' HE3' ' H ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -141.35 -179.6 6.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.986 -179.217 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.502 ' HB2' ' HH2' ' A' ' 29' ' ' TRP . 8.5 t30 . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.332 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 N--CA 1.467 0.417 0 CA-C-O 121.562 0.696 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -94.99 141.42 23.23 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.22 178.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -70.73 104.53 1.49 Allowed 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.762 2.308 . . . . 0.0 112.519 -178.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -95.82 150.57 20.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.645 179.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.481 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 27.2 mt-10 -115.54 136.17 53.35 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 120.867 0.365 . . . . 0.0 111.647 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.413 ' HB3' ' CG ' ' A' ' 71' ' ' MET . . . -99.5 112.55 24.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.47 173.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.471 ' HD2' HD13 ' A' ' 23' ' ' LEU . 18.2 ttt180 -106.47 105.33 15.32 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.4 -176.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.643 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 67.9 mt -103.53 119.83 39.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.996 0.427 . . . . 0.0 110.977 -175.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.529 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 84.2 m-85 -94.03 104.84 16.87 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.026 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.8 tp -98.09 -14.76 20.29 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 173.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -165.0 -167.57 25.8 Favored Glycine 0 N--CA 1.44 -1.053 0 CA-C-N 113.753 -1.567 . . . . 0.0 109.196 174.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 65.4 mt -86.24 -29.31 23.23 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 117.697 0.749 . . . . 0.0 110.462 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -113.39 -9.04 13.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.343 175.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.9 t -93.25 88.11 2.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.438 HD11 ' CG ' ' A' ' 60' ' ' ARG . 50.7 tp -112.53 120.21 40.83 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.966 -175.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.643 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 25.6 mt -98.89 106.67 19.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 174.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.64 147.65 42.69 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.79 -178.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.413 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 19.2 ptm -149.11 134.55 18.5 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.435 -179.132 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -90.6 118.13 29.8 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.519 HG23 ' HA ' ' A' ' 87' ' ' CYS . 8.7 pt -128.41 156.95 40.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.232 0.539 . . . . 0.0 111.947 -170.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.4 p -119.46 115.85 24.91 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.481 178.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 55.6 tp -58.18 120.3 8.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.09 0.471 . . . . 0.0 111.039 -177.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -97.79 -57.21 2.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.011 -177.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 -140.96 149.78 42.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.014 0.435 . . . . 0.0 111.319 -176.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -134.15 114.71 13.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.708 176.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -127.35 120.88 29.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.759 0.314 . . . . 0.0 111.261 -176.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.5 t70 65.96 -87.01 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.092 177.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -138.08 2.65 2.97 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.778 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.784 ' HB3' HD11 ' A' ' 42' ' ' LEU . 93.8 mt -109.45 127.24 54.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.878 0.371 . . . . 0.0 110.137 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.7 mp -117.23 129.09 55.7 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.706 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -104.76 121.51 6.97 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.121 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.485 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 34.6 m-85 -107.14 139.26 41.85 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.963 0.411 . . . . 0.0 110.38 -179.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -83.53 132.8 34.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.596 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.808 ' HB3' HD11 ' A' ' 90' ' ' ILE . 75.7 m -82.97 111.11 18.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.327 -176.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -90.96 -66.2 0.95 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.241 178.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -126.89 115.38 19.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.545 -175.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.808 HD11 ' HB3' ' A' ' 87' ' ' CYS . 3.6 mp -117.59 122.78 70.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 171.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.456 ' O ' HG13 ' A' ' 95' ' ' ILE . 10.9 m-20 -69.35 156.75 38.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.754 0.311 . . . . 0.0 111.436 -173.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 71.5 mt -56.51 -54.03 50.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.234 -171.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -69.6 -29.45 66.97 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 -179.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.9 t -64.78 -44.63 89.37 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 91' ' ' ASP . 75.5 mt -57.84 -48.68 83.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.317 176.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.7 t -63.66 -38.12 89.93 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.711 -178.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -57.49 -53.99 51.95 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.917 0.389 . . . . 0.0 110.639 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.425 ' O ' HG22 ' A' ' 102' ' ' VAL . 2.1 tm? -63.5 -46.95 83.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.08 -178.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -57.12 -51.81 67.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.411 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.448 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 18.0 tpp85 -64.01 -34.17 77.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.786 -177.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 49.7 tp -65.49 -39.24 91.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.346 177.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.508 HG21 HD13 ' A' ' 112' ' ' LEU . 80.8 t -64.92 -36.62 78.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.643 177.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -63.98 -42.43 97.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.854 178.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 91.8 mt -68.49 -41.41 80.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.508 -177.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -93.66 -2.74 53.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.875 -175.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.7 mp 56.08 50.42 13.72 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.145 0.498 . . . . 0.0 110.15 -175.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -71.34 5.05 10.55 Favored Glycine 0 CA--C 1.522 0.472 0 CA-C-N 115.391 -0.822 . . . . 0.0 113.89 -176.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 71.32 108.23 0.06 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.534 0.683 . . . . 0.0 112.45 176.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -61.42 -21.96 64.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.85 175.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.594 ' O ' ' HG3' ' A' ' 114' ' ' ARG . 52.7 mt-10 -53.58 -44.58 69.46 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.779 177.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 46.5 mt -66.96 -41.83 86.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.724 -178.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.508 HD13 HG21 ' A' ' 102' ' ' VAL . 93.0 mt -68.55 -27.42 66.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.866 -0.607 . . . . 0.0 112.186 -173.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -114.51 22.96 13.17 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.878 0.695 . . . . 0.0 112.878 -170.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.594 ' HG3' ' O ' ' A' ' 110' ' ' GLU . 58.3 mtm180 -84.6 -94.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 119.951 -0.699 . . . . 0.0 109.517 171.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.849 ' HA ' ' HD1' ' A' ' 39' ' ' HIS . 0.8 OUTLIER -178.47 165.99 1.78 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 174.458 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.462 ' H ' ' CD ' ' A' ' 115' ' ' GLU . 52.7 tp -64.63 -41.72 95.97 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 175.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.91 -10.59 59.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 177.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.473 HD11 ' HB2' ' A' ' 115' ' ' GLU . 95.3 mt -106.38 3.47 27.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.422 178.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 119' ' ' LEU . 4.7 tp -95.32 120.37 35.44 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.305 0.574 . . . . 0.0 111.47 -171.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 39.0 t -107.46 149.81 10.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 176.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.501 ' HA ' ' OD2' ' A' ' 35' ' ' ASP . 8.3 t -74.9 168.88 19.06 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.18 -178.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.184 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.875 177.279 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.519 HG12 HD11 ' A' ' 111' ' ' LEU . 7.3 pt . . . . . 0 N--CA 1.449 -0.525 0 CA-C-O 121.572 0.701 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.68 86.77 2.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.226 175.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -88.74 154.34 20.36 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.914 -176.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -78.49 93.04 4.71 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.69 0.757 . . . . 0.0 110.912 -178.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.46 167.87 20.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.81 177.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -101.01 133.26 45.77 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 177.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.5 t -131.04 121.48 25.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.027 0.441 . . . . 0.0 111.698 -174.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -111.8 137.75 49.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.322 174.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.0 mt -110.61 122.02 64.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 170.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 mt -114.18 175.93 5.26 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.71 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.56 40.36 0.51 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.625 0.726 . . . . 0.0 110.144 171.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.99 -42.41 3.15 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.386 -0.824 . . . . 0.0 113.282 -178.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -118.25 -48.35 2.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 117.614 0.707 . . . . 0.0 111.035 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 64.8 mtt-85 -82.84 149.9 26.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.767 179.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.419 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 6.9 ptp180 -140.98 131.71 25.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.215 171.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 48.8 p90 -143.05 133.99 25.52 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.988 0.423 . . . . 0.0 111.119 175.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -86.0 130.59 34.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.789 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.3 p -133.78 155.08 39.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -173.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.403 ' N ' HD13 ' A' ' 32' ' ' LEU . 5.5 mp -91.23 142.18 28.0 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.974 0.416 . . . . 0.0 111.151 -177.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 64.0 tp -75.2 145.98 41.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.265 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -129.98 -48.69 1.12 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.641 0.258 . . . . 0.0 110.561 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -158.43 165.46 34.6 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 108.401 -0.962 . . . . 0.0 108.401 175.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.1 p -162.96 139.07 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.3 0.572 . . . . 0.0 111.734 -175.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.7 p -119.89 -172.89 2.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.959 177.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.9 tt -85.62 1.36 49.5 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.763 0.792 . . . . 0.0 109.05 173.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.707 ' CE1' ' HA ' ' A' ' 115' ' ' GLU . 2.1 m170 -101.34 -47.36 4.72 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 -175.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -165.76 -168.67 28.28 Favored Glycine 0 N--CA 1.44 -1.09 0 CA-C-N 114.746 -1.116 . . . . 0.0 111.472 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.1 tt -127.79 146.19 33.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.601 0.2 . . . . 0.0 110.833 -175.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 50.3 tp -116.26 121.34 41.73 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.814 0.34 . . . . 0.0 110.282 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.9 m -129.43 170.09 19.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.243 -177.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -114.59 111.31 2.52 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 176.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.462 ' HB3' HD12 ' A' ' 83' ' ' LEU . 8.4 tt0 -123.88 113.59 28.41 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-O 120.734 0.302 . . . . 0.0 111.254 -171.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -88.2 29.89 0.45 Allowed 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 123.079 2.519 . . . . 0.0 112.271 177.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.799 ' HG2' ' H ' ' A' ' 48' ' ' ASP . 5.3 tt0 -109.78 -164.22 0.92 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.771 -176.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.799 ' H ' ' HG2' ' A' ' 47' ' ' GLN . 13.5 t70 -135.04 179.7 6.15 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -113.7 173.21 6.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.199 0.524 . . . . 0.0 111.938 -174.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.181 -179.902 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 121.963 0.887 . . . . 0.0 108.799 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.478 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 24.8 mmt85 -105.2 123.22 40.4 Favored Pre-proline 0 N--CA 1.442 -0.84 0 CA-C-N 114.566 -1.197 . . . . 0.0 109.601 176.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -45.97 128.14 11.15 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 124.05 3.167 . . . . 0.0 114.199 -174.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -106.21 136.64 45.57 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 173.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -120.09 112.51 19.21 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.972 -0.455 . . . . 0.0 111.516 -174.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.32 121.14 38.87 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.771 0.319 . . . . 0.0 110.621 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -111.59 119.95 40.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.152 177.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.743 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 96.1 mt -99.81 111.58 23.9 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.666 177.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.404 ' CE1' HD11 ' A' ' 68' ' ' LEU . 72.9 m-85 -88.52 102.81 15.29 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.712 -178.321 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.41 -7.76 30.98 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 174.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.91 -176.89 48.2 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.808 178.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.2 mt -78.85 -20.07 50.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.175 0.512 . . . . 0.0 110.223 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.7 -37.84 8.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.717 177.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.9 t -84.8 91.78 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.994 -176.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.404 HD11 ' CE1' ' A' ' 62' ' ' TYR . 3.6 mm? -104.65 107.79 18.91 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.197 176.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.743 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 57.0 mt -93.98 92.62 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 177.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.535 ' O ' ' HD3' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -102.34 127.25 49.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.18 0.514 . . . . 0.0 110.699 -178.331 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.0 ptm -125.64 125.41 43.07 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.109 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -83.97 119.3 24.74 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.695 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.631 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 10.8 pt -130.27 161.09 40.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.398 0.618 . . . . 0.0 111.971 -170.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.3 p -130.94 137.86 49.48 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 171.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.438 HD13 ' HB3' ' A' ' 83' ' ' LEU . 7.4 tp -67.75 110.92 3.98 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.062 0.458 . . . . 0.0 110.799 -176.267 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -113.99 -8.28 13.08 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.597 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.557 ' HB2' HD21 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -132.57 149.0 52.38 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-O 121.616 0.722 . . . . 0.0 110.16 -177.104 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -162.27 116.18 1.81 Allowed 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 114.17 -1.377 . . . . 0.0 110.002 -179.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.531 ' HB2' ' CZ3' ' A' ' 77' ' ' TRP . 1.7 tpm_? -135.85 74.16 1.49 Allowed 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.813 -177.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.6 t70 66.41 -83.28 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.004 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -116.99 -9.62 10.58 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.009 -0.615 . . . . 0.0 111.792 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.495 HD12 ' HB2' ' A' ' 121' ' ' SER . 44.8 mt -105.1 113.17 26.6 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.462 HD12 ' HB3' ' A' ' 45' ' ' GLN . 4.9 mp -121.19 144.74 48.43 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.996 -174.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -121.54 142.29 15.18 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.89 -177.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.631 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 61.8 m-85 -118.31 129.35 55.4 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 -178.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -82.53 129.21 34.88 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 175.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.836 ' HG ' HG12 ' A' ' 90' ' ' ILE . 18.1 t -84.4 124.11 30.95 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.244 0.545 . . . . 0.0 110.987 -173.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -88.32 -49.04 7.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.009 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -129.19 115.4 17.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.75 -177.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.836 HG12 ' HG ' ' A' ' 87' ' ' CYS . 0.6 OUTLIER -113.63 115.89 51.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 173.887 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.471 ' HB2' ' OG ' ' A' ' 94' ' ' SER . 22.2 m-20 -69.08 148.28 50.25 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.076 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.43 -38.98 91.83 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.042 -174.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -65.36 -38.9 91.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.089 178.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.471 ' OG ' ' HB2' ' A' ' 91' ' ' ASP . 2.3 m -58.41 -49.9 75.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.26 176.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 62.2 mt -61.33 -39.06 81.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.805 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.415 ' O ' ' HG3' ' A' ' 100' ' ' ARG . 26.4 m -64.14 -40.77 96.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.849 -179.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -60.34 -43.97 95.95 Favored 'General case' 0 CA--C 1.521 -0.157 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 176.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.11 -53.77 53.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 178.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -58.43 -45.01 89.34 Favored 'General case' 0 C--O 1.223 -0.294 0 C-N-CA 121.024 -0.27 . . . . 0.0 111.417 -178.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 96' ' ' SER . 44.3 mtp180 -64.39 -42.8 95.93 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.072 -178.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 43.1 tp -62.54 -42.81 99.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.907 0.384 . . . . 0.0 110.609 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.22 -38.44 77.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.006 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -68.92 -44.38 73.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.18 -178.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.7 mp -63.14 -38.23 90.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.904 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -81.79 -19.09 41.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.581 176.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 19.4 tp 59.86 35.92 21.9 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.845 -177.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -100.29 64.52 0.6 Allowed Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.471 -0.786 . . . . 0.0 113.244 -174.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 64.28 97.06 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 173.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -68.36 -32.45 72.55 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.81 0.814 . . . . 0.0 109.145 172.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -68.53 -8.16 38.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.385 -1.28 . . . . 0.0 111.678 -175.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.664 ' HG ' ' NH2' ' A' ' 114' ' ' ARG . 6.4 tt -64.45 -41.0 96.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.107 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 93.4 mt -67.66 -21.13 65.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.508 -177.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -76.3 -24.03 54.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.316 -177.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.664 ' NH2' ' HG ' ' A' ' 111' ' ' LEU . 22.1 mtm180 -68.09 146.66 53.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.916 0.388 . . . . 0.0 110.008 -179.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.707 ' HA ' ' CE1' ' A' ' 39' ' ' HIS . 0.3 OUTLIER -83.56 159.42 21.65 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.779 -172.513 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.557 HD21 ' HB2' ' A' ' 77' ' ' TRP . 23.8 tp -59.67 -37.69 79.47 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 175.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.82 -22.58 65.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.109 176.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 58.7 mt -88.37 -9.12 53.75 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.857 0.36 . . . . 0.0 110.62 178.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.46 HD11 ' O ' ' A' ' 115' ' ' GLU . 4.3 mp -101.87 107.33 18.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.614 -174.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.406 HG11 ' O ' ' A' ' 121' ' ' SER . 3.2 p -91.2 167.4 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 169.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.495 ' HB2' HD12 ' A' ' 82' ' ' LEU . 32.7 t -64.19 157.94 24.39 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 178.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.241 0.543 . . . . 0.0 110.339 176.929 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.458 ' O ' ' HA ' ' A' ' 35' ' ' ASP . 47.7 mm . . . . . 0 N--CA 1.459 -0.019 0 CA-C-O 121.336 0.589 . . . . 0.0 111.399 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -154.48 114.25 3.79 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.828 175.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -105.32 176.08 5.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.075 -177.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -96.44 28.6 3.24 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 175.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.85 133.95 38.06 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.598 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.43 ' HB3' ' HB2' ' A' ' 62' ' ' TYR . 22.6 t70 -71.28 126.82 30.63 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 176.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 m -122.59 120.2 33.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.999 0.428 . . . . 0.0 111.58 -173.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -117.64 119.33 34.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.517 174.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.593 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 1.7 mp -103.42 120.05 52.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 171.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.471 HD22 ' CB ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -138.66 169.4 17.85 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.068 0.461 . . . . 0.0 112.071 -169.785 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -129.45 43.78 3.08 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.392 -0.822 . . . . 0.0 108.826 171.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.51 -100.08 2.42 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.75 -175.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -81.1 17.93 1.16 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.226 0.536 . . . . 0.0 112.105 -173.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.1 tpm_? -143.91 101.32 3.72 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.331 176.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.471 ' CB ' HD22 ' A' ' 23' ' ' LEU . 15.4 ptp180 -93.24 136.46 33.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.408 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.429 ' HB2' ' O ' ' A' ' 22' ' ' ILE . 9.5 m-90 -116.67 94.65 4.69 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.476 170.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -67.46 104.84 1.64 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 175.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.564 HG12 HD12 ' A' ' 22' ' ' ILE . 9.9 p -118.5 166.06 13.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.294 -167.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.4 ' H ' HG22 ' A' ' 31' ' ' VAL . 95.6 mt -96.43 127.01 42.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.2 tp -66.75 139.05 57.79 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -130.73 -28.97 1.97 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -176.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.458 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 4.5 t70 -178.76 170.09 1.59 Allowed 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 169.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.6 p -164.69 148.14 2.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.19 0.519 . . . . 0.0 111.336 -175.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.4 p -139.16 -173.01 3.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.862 177.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.0 tp -90.07 9.46 28.05 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.63 0.729 . . . . 0.0 109.504 176.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.71 ' HD1' ' HA ' ' A' ' 115' ' ' GLU . 6.5 m170 -113.56 -5.29 13.43 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.829 0.824 . . . . 0.0 109.211 -178.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 148.64 -172.2 28.86 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 114.35 -1.295 . . . . 0.0 112.052 -175.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.9 tt -134.48 151.92 32.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -173.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.913 ' HG ' HD12 ' A' ' 82' ' ' LEU . 32.6 tp -130.03 106.6 8.74 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.096 0.474 . . . . 0.0 110.05 -178.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.6 m -113.14 169.02 5.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.973 -178.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 81' ' ' GLY . . . -117.53 111.61 2.27 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.708 -177.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.678 ' HB2' HD12 ' A' ' 83' ' ' LEU . 45.1 tp60 -87.91 133.79 36.71 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -178.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -57.11 -71.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.454 2.103 . . . . 0.0 112.242 177.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -151.26 -53.15 0.13 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.743 0.306 . . . . 0.0 110.728 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -63.9 115.22 4.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.057 -177.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.544 ' HB2' ' HG2' ' A' ' 45' ' ' GLN . 71.9 t-105 -159.52 149.33 18.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.682 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.411 ' OD1' ' HD3' ' A' ' 55' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.868 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.83 0.348 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.411 ' HD3' ' OD1' ' A' ' 50' ' ' ASN . 20.6 mtp180 -95.0 126.71 45.71 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.299 -179.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.42 150.6 46.7 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.65 2.233 . . . . 0.0 112.038 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.449 ' HB3' HG21 ' A' ' 22' ' ' ILE . 64.3 m-85 -135.83 147.97 48.5 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.22 -177.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.593 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 36.1 mt-10 -113.03 133.69 54.86 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -112.17 119.41 38.29 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.825 0.345 . . . . 0.0 110.911 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.53 ' HB3' HD11 ' A' ' 68' ' ' LEU . 17.0 mtm180 -114.54 112.89 23.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.222 174.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.669 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 65.3 mt -100.82 115.27 29.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.123 179.031 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.43 ' HB2' ' HB3' ' A' ' 19' ' ' ASP . 64.0 m-85 -90.54 114.15 26.3 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.074 -177.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -113.12 1.6 15.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.323 0.582 . . . . 0.0 109.733 175.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.98 -165.94 36.32 Favored Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.4 mt -83.38 -39.65 20.4 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 117.179 0.489 . . . . 0.0 110.187 178.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -96.92 -29.21 13.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.182 176.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.2 t -80.39 90.24 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.616 -176.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.53 HD11 ' HB3' ' A' ' 60' ' ' ARG . 65.7 tp -117.86 111.77 19.48 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.037 178.255 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.669 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 56.8 mt -86.98 99.38 8.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.9 ptt180 -98.18 142.48 29.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.089 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.8 ptm -149.02 130.98 15.24 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.626 174.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.465 ' HB2' ' HB3' ' A' ' 89' ' ' HIS . 36.5 mt-10 -91.5 124.71 35.88 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -179.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.662 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 9.2 pt -133.73 160.26 42.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.332 0.587 . . . . 0.0 111.904 -169.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 65.7 m -124.97 137.77 54.25 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.832 171.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.8 tp -64.59 126.04 26.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.298 -178.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.499 ' HB1' ' HG3' ' A' ' 86' ' ' GLU . . . -103.38 -48.28 4.04 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.946 0.403 . . . . 0.0 110.724 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 42.8 p-90 -151.89 147.34 26.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.514 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -137.78 117.17 12.8 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.245 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -131.59 122.67 26.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.732 -178.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 62.53 -88.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.068 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.407 ' O ' ' HA2' ' A' ' 44' ' ' GLY . . . -128.85 -15.11 2.18 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.324 179.136 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.913 HD12 ' HG ' ' A' ' 42' ' ' LEU . 3.9 mm? -87.3 122.3 30.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.304 0.573 . . . . 0.0 111.163 -176.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.678 HD12 ' HB2' ' A' ' 45' ' ' GLN . 38.7 mt -106.57 116.03 31.23 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.183 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -97.21 118.68 6.14 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.842 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.662 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 91.4 m-85 -114.01 136.56 52.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.399 0.142 . . . . 0.0 110.919 -178.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.499 ' HG3' ' HB1' ' A' ' 76' ' ' ALA . 51.6 mt-10 -85.57 135.01 33.99 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 173.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.515 ' HA ' HG23 ' A' ' 73' ' ' ILE . 26.3 p -81.05 128.65 33.95 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.485 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -105.24 -46.9 4.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.951 0.405 . . . . 0.0 110.685 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.465 ' HB3' ' HB2' ' A' ' 72' ' ' GLU . 53.2 t60 -125.85 114.51 18.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.31 177.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.6 mp -121.87 106.36 17.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 176.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.403 ' O ' HG13 ' A' ' 95' ' ' ILE . 5.3 m-20 -59.69 144.16 48.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.558 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 85.6 mt -61.68 -34.69 76.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.114 0.483 . . . . 0.0 109.753 178.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -62.76 -45.45 92.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.625 174.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 39.1 m -60.79 -43.77 97.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.773 177.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 91' ' ' ASP . 73.0 mt -60.07 -45.17 95.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.37 177.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.481 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 50.5 m -57.45 -50.93 71.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.799 178.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -53.81 -50.86 65.21 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.749 0.309 . . . . 0.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 51.1 tp -63.67 -50.26 69.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.327 -175.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 40.9 ttt85 -66.0 -42.15 90.11 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.5 -175.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 96' ' ' SER . 30.2 mmm180 -63.39 -40.0 96.04 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.221 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.62 -46.68 89.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.714 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.501 HG21 HD13 ' A' ' 112' ' ' LEU . 99.0 t -67.09 -39.73 83.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.275 -179.178 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -66.84 -45.12 79.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.795 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.423 HD13 ' O ' ' A' ' 100' ' ' ARG . 10.8 mp -70.36 -9.87 57.44 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.874 -177.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -111.0 -5.41 14.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.019 176.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 20.0 tp 59.94 43.13 15.17 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.333 0.587 . . . . 0.0 110.609 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -91.29 16.54 58.61 Favored Glycine 0 C--O 1.229 -0.202 0 C-N-CA 120.957 -0.639 . . . . 0.0 113.36 -175.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 68.81 116.55 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.499 0.666 . . . . 0.0 112.14 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -71.9 -20.69 61.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.826 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -59.68 -35.4 74.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.87 -175.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 71.2 mt -65.64 -26.98 68.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.279 -177.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.501 HD13 HG21 ' A' ' 102' ' ' VAL . 87.7 mt -77.44 -12.63 59.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.06 -177.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.4 ' HA ' ' CE1' ' A' ' 39' ' ' HIS . 14.7 mt-10 -127.84 38.28 4.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.897 0.379 . . . . 0.0 111.677 -174.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.79 HH11 ' HG ' ' A' ' 119' ' ' LEU . 33.4 mtt180 -70.21 -100.66 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 167.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.71 ' HA ' ' HD1' ' A' ' 39' ' ' HIS . 9.2 tp10 -179.2 152.81 0.56 Allowed 'General case' 0 C--O 1.22 -0.489 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 171.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.62 -39.35 76.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 119.328 0.967 . . . . 0.0 110.17 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -74.92 -7.35 53.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.357 177.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.612 ' HG ' ' HB3' ' A' ' 115' ' ' GLU . 84.4 mt -105.97 -10.2 16.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 178.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.79 ' HG ' HH11 ' A' ' 114' ' ' ARG . 1.2 mp -90.31 110.32 21.39 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.565 0.698 . . . . 0.0 111.856 -173.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 44.0 t -102.73 151.43 6.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 169.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.507 ' HB2' HD13 ' A' ' 82' ' ' LEU . 40.9 t -61.41 163.24 6.9 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 120.819 0.342 . . . . 0.0 111.64 -176.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.283 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.14 166.133 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.684 ' O ' ' HA ' ' A' ' 35' ' ' ASP . 50.4 mm . . . . . 0 N--CA 1.449 -0.477 0 CA-C-O 121.801 0.81 . . . . 0.0 109.467 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.14 102.99 2.99 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.555 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -86.57 161.09 18.72 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -82.32 84.09 7.24 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 174.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.19 145.39 47.66 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.597 -174.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.418 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 7.7 m-20 -67.88 120.14 13.69 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 176.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.2 m -112.78 109.22 18.56 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.845 0.355 . . . . 0.0 110.818 -176.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -111.47 122.95 49.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.988 0.423 . . . . 0.0 111.167 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.466 HD11 HG13 ' A' ' 43' ' ' VAL . 1.8 mp -96.87 113.35 31.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 172.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.514 ' HB2' ' HB2' ' A' ' 58' ' ' GLU . 40.9 mt -94.61 137.91 33.13 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.632 -175.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.448 ' HB3' ' HZ3' ' A' ' 29' ' ' TRP . 8.6 tt0 -116.05 79.06 1.25 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 170.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.38 -83.54 0.76 Allowed Glycine 0 N--CA 1.443 -0.837 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.387 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -117.23 -5.63 11.33 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -174.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -114.17 152.34 31.33 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 121.151 -0.22 . . . . 0.0 110.489 -176.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -125.36 127.93 47.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.268 0.556 . . . . 0.0 111.798 -171.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.448 ' HZ3' ' HB3' ' A' ' 24' ' ' GLN . 10.9 m-90 -109.8 99.62 8.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.869 176.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -77.17 115.47 16.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.149 176.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.496 HG21 ' H ' ' A' ' 32' ' ' LEU . 9.8 p -136.93 169.58 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.727 -171.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.496 ' H ' HG21 ' A' ' 31' ' ' VAL . 55.1 tp -90.42 137.11 32.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.839 0.352 . . . . 0.0 111.028 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.9 tp -85.19 152.7 23.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.518 178.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -128.45 -38.46 1.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.777 -0.192 . . . . 0.0 111.478 176.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.684 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 10.8 t70 -164.65 157.65 17.05 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 174.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.6 p -156.94 138.88 5.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.888 0.375 . . . . 0.0 110.726 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.6 m -148.0 -169.38 3.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.074 0.464 . . . . 0.0 110.878 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 62.5 tp -69.75 -21.38 63.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.734 0.778 . . . . 0.0 111.287 -176.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -111.85 14.5 21.0 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.564 -171.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.434 ' HA3' HD13 ' A' ' 116' ' ' LEU . . . 149.92 177.79 24.27 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 119.616 -1.278 . . . . 0.0 113.714 177.267 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.7 tt -143.45 135.59 23.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.061 -0.57 . . . . 0.0 109.974 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.663 HD11 ' HB3' ' A' ' 82' ' ' LEU . 34.6 tp -109.5 116.35 31.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.66 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.466 HG13 HD11 ' A' ' 22' ' ' ILE . 34.3 m -114.7 162.88 12.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.508 178.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -118.8 99.32 0.77 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.787 -177.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.416 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 8.7 tt0 -117.57 122.33 30.96 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 177.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 45' ' ' GLN . 23.7 Cg_exo -64.18 -17.2 58.85 Favored 'Trans proline' 0 CA--C 1.529 0.238 0 C-N-CA 122.83 2.353 . . . . 0.0 113.179 -177.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -99.14 128.51 45.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.847 0.356 . . . . 0.0 110.859 -178.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -89.3 100.19 13.03 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -89.44 173.98 8.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.713 -178.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 . . . . . 0 C--N 1.325 -0.484 0 CA-C-O 121.307 0.575 . . . . 0.0 111.09 179.895 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.477 0.179 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -84.55 125.9 70.34 Favored Pre-proline 0 C--O 1.234 0.24 0 CA-C-O 120.694 0.283 . . . . 0.0 110.801 176.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -74.13 128.69 12.42 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.33 2.02 . . . . 0.0 111.528 175.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.477 ' CE2' ' HB2' ' A' ' 75' ' ' LEU . 43.6 m-85 -123.19 154.4 38.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.145 -178.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.514 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 43.8 mt-10 -117.42 138.3 51.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.782 0.325 . . . . 0.0 111.001 177.263 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.496 ' HB2' HD13 ' A' ' 73' ' ' ILE . . . -106.06 117.35 33.81 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.169 175.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -113.59 110.87 20.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.952 178.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.558 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 88.8 mt -106.37 116.45 31.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.385 -178.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.418 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 61.3 m-85 -101.04 102.31 13.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.156 -177.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -88.89 -9.39 51.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.607 0.717 . . . . 0.0 109.272 175.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 177.34 -169.47 41.67 Favored Glycine 0 N--CA 1.442 -0.958 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 178.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.4 tp -80.5 -29.73 37.3 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 117.556 0.678 . . . . 0.0 110.009 177.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -97.35 -31.99 12.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.514 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.3 t -88.61 99.24 8.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.658 -177.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 65.6 tp -119.03 126.53 51.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.722 -178.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.558 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 60.2 mt -113.41 135.84 51.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 175.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -145.79 146.88 31.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.197 0.523 . . . . 0.0 111.636 -175.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -152.94 141.58 20.91 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.186 173.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -81.84 111.91 18.49 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 174.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.522 HG22 ' HA ' ' A' ' 87' ' ' CYS . 23.3 pt -110.65 166.23 5.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.469 0.652 . . . . 0.0 111.572 -172.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.2 p -127.53 133.46 49.81 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.367 -0.833 . . . . 0.0 108.893 173.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.477 ' HB2' ' CE2' ' A' ' 57' ' ' PHE . 63.8 tp -58.74 119.87 7.92 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 177.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -101.44 -50.72 3.66 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.149 -178.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 -157.65 144.97 18.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.147 0.499 . . . . 0.0 111.816 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -122.17 113.43 19.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.175 173.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -120.91 96.99 5.33 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.681 0.277 . . . . 0.0 111.588 -174.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.3 t70 62.36 10.07 3.69 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 168.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 132.7 -22.97 4.04 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.443 -0.884 . . . . 0.0 111.919 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.663 ' HB3' HD11 ' A' ' 42' ' ' LEU . 95.1 mt -93.21 113.18 25.32 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 175.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.1 mp -108.55 119.76 40.47 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.972 0.415 . . . . 0.0 110.918 -178.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -103.2 114.72 4.94 Favored Glycine 0 N--CA 1.439 -1.158 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.447 178.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.41 ' CG ' HD11 ' A' ' 73' ' ' ILE . 84.4 m-85 -100.0 141.69 32.47 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.075 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -93.92 125.49 38.57 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 178.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.522 ' HA ' HG22 ' A' ' 73' ' ' ILE . 78.0 m -74.19 108.67 7.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.526 178.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -81.92 -61.86 1.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 37.3 t60 -116.82 108.49 15.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.285 178.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.401 HD13 ' N ' ' A' ' 90' ' ' ILE . 3.3 mp -99.47 125.35 53.06 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 174.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.465 ' HB3' ' HB2' ' A' ' 94' ' ' SER . 27.5 t70 -60.74 144.05 53.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 123.046 0.216 . . . . 0.0 110.605 -178.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.5 mp -58.94 -41.8 88.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.135 -176.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -73.93 -29.13 61.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.351 0.596 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.465 ' HB2' ' HB3' ' A' ' 91' ' ' ASP . 23.1 t -62.51 -43.93 97.61 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.586 174.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 67.8 mt -65.56 -47.08 87.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.104 178.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.466 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 33.2 p -62.64 -42.91 99.86 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.566 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -58.87 -48.26 82.01 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.649 0.261 . . . . 0.0 110.675 176.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.06 -47.66 84.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.399 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.56 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 2.7 tpt180 -63.02 -48.17 79.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.331 -178.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 96' ' ' SER . 29.1 mmm180 -64.97 -34.92 79.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.825 0.345 . . . . 0.0 110.711 -178.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 45.8 tp -61.04 -42.7 98.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.776 175.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.802 HG21 HD13 ' A' ' 112' ' ' LEU . 42.0 t -58.83 -41.92 84.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.054 176.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.56 ' HG2' ' O ' ' A' ' 99' ' ' ARG . 5.1 mm-40 -61.82 -35.11 77.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.057 0.455 . . . . 0.0 110.346 179.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 94.6 mt -79.46 -42.28 25.69 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.167 -174.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 34.2 p30 -98.16 -2.23 40.38 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.7 -176.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 9.3 mp 63.39 30.58 15.45 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 123.611 0.569 . . . . 0.0 112.243 178.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.438 ' O ' HG11 ' A' ' 102' ' ' VAL . . . -75.28 70.94 1.82 Allowed Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 172.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -36.27 138.39 0.21 Allowed 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -169.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.471 ' O ' ' HG2' ' A' ' 113' ' ' GLU . 14.1 pt-20 -66.16 -12.44 55.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.145 -1.389 . . . . 0.0 112.91 -172.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.63 -38.23 71.81 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.313 0.578 . . . . 0.0 109.877 178.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.506 ' HB3' ' NH1' ' A' ' 114' ' ' ARG . 46.7 mt -72.44 -27.54 62.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.58 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.802 HD13 HG21 ' A' ' 102' ' ' VAL . 96.0 mt -77.21 -19.28 56.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.608 179.107 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 66.8 mm-40 -100.86 18.38 19.68 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.682 -173.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.725 HH21 ' HA ' ' A' ' 119' ' ' LEU . 57.9 mtm-85 -79.14 -160.52 0.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 175.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.593 ' O ' HD12 ' A' ' 119' ' ' LEU . 0.5 OUTLIER -117.21 158.35 24.44 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 173.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.448 ' H ' ' CD ' ' A' ' 115' ' ' GLU . 59.5 tp -57.93 -34.03 69.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 118.133 0.424 . . . . 0.0 110.278 178.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -72.68 -11.06 60.48 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.614 175.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 68.9 mt -105.37 -0.1 26.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.385 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.725 ' HA ' HH21 ' A' ' 114' ' ' ARG . 5.9 mp -90.22 91.93 8.72 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.158 0.504 . . . . 0.0 109.842 179.075 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 8.9 t -107.77 163.15 5.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.47 -178.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.0 p -74.59 171.79 13.21 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.83 0.348 . . . . 0.0 111.311 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.33 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -172.404 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.1 mm . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 121.329 0.585 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -156.52 93.13 1.36 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.545 177.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -91.67 153.65 19.54 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.833 -178.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -77.28 78.74 3.8 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 171.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.81 138.19 53.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.599 -174.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.523 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 4.6 m-20 -63.51 117.76 7.19 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 176.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.0 m -115.39 113.25 23.51 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.91 0.386 . . . . 0.0 110.401 -177.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -117.79 125.01 49.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.21 178.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.472 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 80.5 mt -96.93 118.92 44.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 174.178 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.66 HD21 ' HG2' ' A' ' 28' ' ' ARG . 31.0 mt -106.84 153.07 23.04 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.039 0.447 . . . . 0.0 110.99 -174.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.498 ' NE2' ' HB3' ' A' ' 55' ' ' ARG . 55.4 tt0 -149.82 89.21 1.59 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.233 170.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.32 -83.81 0.43 Allowed Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.464 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -111.98 -27.55 8.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.92 0.39 . . . . 0.0 111.109 -177.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -86.88 138.17 31.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.882 0.372 . . . . 0.0 111.434 -170.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.66 ' HG2' HD21 ' A' ' 23' ' ' LEU . 52.1 mtt180 -125.14 111.26 15.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.663 -176.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 25.8 m-90 -98.49 106.01 18.23 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.281 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -71.99 110.78 6.71 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 172.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.4 p -126.15 153.8 34.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.027 0.442 . . . . 0.0 111.542 -171.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.56 139.4 30.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.03 176.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.0 tp -80.33 143.09 33.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.093 -177.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -116.03 -38.92 3.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.622 176.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -175.41 165.54 3.26 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 177.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.0 p -162.15 147.07 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.048 0.451 . . . . 0.0 110.995 178.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.1 p -145.16 -167.97 2.82 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.277 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.1 tp -87.78 12.72 12.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.859 0.838 . . . . 0.0 109.229 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.58 ' ND1' ' HA ' ' A' ' 115' ' ' GLU . 10.5 m170 -110.58 -13.21 14.26 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.657 178.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.456 ' HA3' ' O ' ' A' ' 85' ' ' PHE . . . 144.98 -158.56 27.67 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 114.663 -1.153 . . . . 0.0 112.304 -175.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.8 tt -140.73 148.35 21.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.83 0.347 . . . . 0.0 110.851 -172.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.452 HD11 ' HB3' ' A' ' 82' ' ' LEU . 56.3 tp -121.24 121.49 37.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.338 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.444 HG23 HD13 ' A' ' 22' ' ' ILE . 22.1 m -132.03 -177.26 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.599 178.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.475 ' O ' ' HD3' ' A' ' 46' ' ' PRO . . . -107.45 171.0 16.01 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.998 179.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -112.0 92.27 17.68 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-O 120.817 0.341 . . . . 0.0 110.679 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.475 ' HD3' ' O ' ' A' ' 44' ' ' GLY . 2.5 Cg_endo -88.63 -68.59 0.01 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 123.247 2.631 . . . . 0.0 113.403 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.5 mp0 -84.21 -167.48 1.78 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.832 0.349 . . . . 0.0 111.126 -174.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -64.55 126.23 27.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.474 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.421 ' HH2' HG21 ' A' ' 22' ' ' ILE . 75.4 t-105 -135.5 137.66 42.33 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.029 -173.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.5 m120 . . . . . 0 N--CA 1.464 0.237 0 CA-C-O 120.865 0.364 . . . . 0.0 110.845 179.087 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.495 ' O ' ' HD3' ' A' ' 56' ' ' PRO . 53.1 tp60 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 121.377 0.608 . . . . 0.0 109.569 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.498 ' HB3' ' NE2' ' A' ' 24' ' ' GLN . 7.9 mmt180 -93.2 113.18 59.28 Favored Pre-proline 0 N--CA 1.449 -0.492 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.989 -177.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.495 ' HD3' ' O ' ' A' ' 54' ' ' GLN . 17.5 Cg_exo -65.61 137.4 50.08 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.571 2.181 . . . . 0.0 110.866 169.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -126.76 161.65 27.66 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.789 0.328 . . . . 0.0 110.86 -177.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.515 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 42.8 mt-10 -120.67 148.74 43.53 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 178.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -124.97 124.26 41.63 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.134 0.493 . . . . 0.0 111.819 -178.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.435 ' HD3' ' OH ' ' A' ' 62' ' ' TYR . 94.0 mtt180 -105.36 119.4 38.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.073 173.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.839 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 97.7 mt -113.13 109.46 18.83 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 174.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.523 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 46.9 m-85 -92.33 109.18 20.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.839 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.404 ' HG ' HD21 ' A' ' 101' ' ' LEU . 3.6 mm? -105.65 -6.9 18.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.369 0.604 . . . . 0.0 109.87 175.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -178.66 -158.42 21.19 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.101 -179.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 65' ' ' LEU . 4.5 mp -81.82 -50.85 8.74 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -101.11 -11.65 19.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.438 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.7 t -90.04 84.28 2.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.727 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.2 tt -123.19 137.05 54.99 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.733 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.839 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 75.0 mt -107.83 113.87 44.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.951 177.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 70' ' ' ARG . 41.9 ttm105 -110.21 114.92 28.79 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.158 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 18.6 ptm -137.93 116.69 12.27 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.92 -177.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -71.0 134.93 47.54 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 174.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.587 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 9.2 pt -130.08 150.61 34.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.475 0.655 . . . . 0.0 111.84 -172.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.3 m -108.31 122.46 47.01 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.311 175.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.96 110.49 1.36 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 178.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -89.39 -44.76 9.96 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.823 -175.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 60.3 p-90 -156.58 158.2 36.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.317 0.58 . . . . 0.0 111.517 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -139.68 105.44 5.15 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.324 -0.853 . . . . 0.0 108.829 177.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -117.86 105.51 12.01 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.71 -173.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.4 t70 62.82 -87.97 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.48 -178.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -124.89 6.65 8.31 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.963 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.452 ' HB3' HD11 ' A' ' 42' ' ' LEU . 59.4 mt -106.23 122.05 45.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.936 0.398 . . . . 0.0 110.872 -177.153 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 80.4 mt -104.09 114.87 29.42 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.027 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.97 121.92 6.73 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.113 -179.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.587 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 75.2 m-85 -115.47 145.39 42.64 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.7 0.286 . . . . 0.0 110.625 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -95.77 138.42 33.44 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 174.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 12.7 p -71.98 111.71 7.46 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.018 0.437 . . . . 0.0 110.167 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -87.81 -49.8 6.87 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.361 -176.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -147.74 138.23 23.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.315 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 27.1 mt -134.24 132.76 55.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.775 0.322 . . . . 0.0 110.551 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.456 ' O ' HG13 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -66.29 136.39 55.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.566 176.806 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.2 mp -61.52 -35.44 77.71 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -175.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -66.9 -43.08 84.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.107 0.48 . . . . 0.0 109.767 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.513 ' HB3' HG22 ' A' ' 69' ' ' ILE . 41.6 m -58.5 -44.37 89.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.465 174.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 91' ' ' ASP . 77.5 mt -57.8 -44.37 85.98 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.152 175.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.1 m -62.15 -36.17 81.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.058 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -67.27 -51.3 54.52 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 176.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.21 -47.01 84.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.382 -178.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.414 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 51.7 ttt-85 -53.47 -58.08 8.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.224 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 -66.46 -36.28 82.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.649 -176.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.47 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 63.4 tp -57.52 -49.88 74.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.694 179.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.561 HG21 HD12 ' A' ' 112' ' ' LEU . 85.9 t -66.42 -38.81 82.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.386 -178.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.694 ' HA ' ' HA2' ' A' ' 107' ' ' GLY . 50.5 mt-10 -59.25 -47.84 83.84 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.794 0.331 . . . . 0.0 110.722 178.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.51 -13.66 59.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.47 ' HB2' ' O ' ' A' ' 101' ' ' LEU . 10.5 t-20 -83.18 -29.37 28.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.123 0.487 . . . . 0.0 110.95 -177.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 44.9 tp -176.53 -33.46 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.295 -0.866 . . . . 0.0 108.682 -178.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.694 ' HA2' ' HA ' ' A' ' 103' ' ' GLU . . . 87.24 7.98 75.77 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 114.975 -1.012 . . . . 0.0 113.069 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.417 ' OD2' ' HG ' ' A' ' 111' ' ' LEU . 16.9 t70 -85.12 110.58 19.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.962 0.411 . . . . 0.0 110.234 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -89.11 -8.43 53.83 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.783 -178.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -70.53 -39.11 74.26 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.417 ' HG ' ' OD2' ' A' ' 108' ' ' ASP . 84.2 mt -57.54 -34.23 68.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.413 174.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.561 HD12 HG21 ' A' ' 102' ' ' VAL . 87.4 mt -78.96 -14.09 59.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.759 0.314 . . . . 0.0 111.085 -178.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -127.83 37.18 4.23 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.246 0.546 . . . . 0.0 110.677 -172.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -75.85 -98.18 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 171.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.682 ' O ' HD12 ' A' ' 119' ' ' LEU . 0.1 OUTLIER -178.4 154.37 0.8 Allowed 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 171.457 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 61.2 tp -59.29 -37.78 78.54 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 177.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.5 -18.2 63.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.378 175.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 82.3 mt -101.6 2.55 39.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.558 -178.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.682 HD12 ' O ' ' A' ' 115' ' ' GLU . 5.7 mp -93.66 114.65 27.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.11 0.481 . . . . 0.0 109.896 178.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.475 HG13 ' H ' ' A' ' 121' ' ' SER . 6.4 t -111.08 167.51 4.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.232 -174.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.475 ' H ' HG13 ' A' ' 120' ' ' VAL . 75.5 m -82.9 172.09 13.19 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.083 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.223 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.641 176.212 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.1 pt . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 121.212 0.529 . . . . 0.0 111.709 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.46 86.72 1.35 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.222 172.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.98 143.73 35.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.835 -178.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -86.64 90.03 8.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.231 0.538 . . . . 0.0 110.634 -178.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -107.04 145.05 32.81 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.386 176.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.524 ' HB3' ' HB2' ' A' ' 62' ' ' TYR . 13.9 t70 -66.92 115.97 7.25 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.6 m -115.95 125.86 53.11 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.737 -170.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -134.93 132.93 39.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.911 171.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.681 HD13 HG12 ' A' ' 31' ' ' VAL . 1.5 mp -97.38 129.0 48.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.43 178.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.768 HD23 ' HG2' ' A' ' 28' ' ' ARG . 26.5 mt -108.88 148.68 30.26 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.727 -175.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.22 50.25 1.32 Allowed 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 169.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.23 -80.92 0.83 Allowed Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.838 -175.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -85.39 -31.77 22.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.938 0.399 . . . . 0.0 111.023 -177.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -97.38 145.09 26.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 -173.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.768 ' HG2' HD23 ' A' ' 23' ' ' LEU . 40.4 mtp180 -132.05 125.2 30.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.484 -174.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 -127.35 108.16 10.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.915 0.388 . . . . 0.0 111.415 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -64.91 124.96 23.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.975 175.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.681 HG12 HD13 ' A' ' 22' ' ' ILE . 9.8 p -131.31 164.1 35.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.846 0.355 . . . . 0.0 111.123 -171.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 mp -97.55 125.11 42.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.55 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.1 tp -79.36 146.93 32.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.454 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -129.68 -38.43 1.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.544 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.495 ' OD2' ' HG ' ' A' ' 119' ' ' LEU . 6.2 t70 -165.77 167.45 16.98 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.5 p -165.14 140.01 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.891 0.377 . . . . 0.0 110.411 -177.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.409 ' HB3' ' O ' ' A' ' 112' ' ' LEU . 50.5 m -152.52 -170.03 3.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.611 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.439 ' HG ' ' HB3' ' A' ' 112' ' ' LEU . 21.2 mt -74.08 -9.2 58.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.453 0.644 . . . . 0.0 110.449 -178.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.404 ' ND1' ' HA ' ' A' ' 115' ' ' GLU . 11.0 m170 -93.36 -23.99 18.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.113 -175.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.63 ' HA2' ' HB2' ' A' ' 87' ' ' CYS . . . 157.77 -145.03 11.19 Favored Glycine 0 N--CA 1.44 -1.042 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.658 -175.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.2 tt -154.94 144.65 13.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 120.794 0.331 . . . . 0.0 110.519 -173.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.523 HD22 ' O ' ' A' ' 119' ' ' LEU . 35.7 tp -115.95 117.06 29.09 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.113 0.483 . . . . 0.0 110.365 177.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.427 HG22 ' HB2' ' A' ' 83' ' ' LEU . 30.7 m -123.05 175.45 5.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.731 175.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -127.5 132.91 7.68 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.362 -178.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.581 ' HB3' HD12 ' A' ' 83' ' ' LEU . 3.7 pt20 -84.63 120.58 74.24 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-O 120.915 0.388 . . . . 0.0 110.719 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -93.95 3.88 2.96 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 123.117 2.545 . . . . 0.0 112.065 176.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.488 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 50.8 tp60 -157.09 175.58 13.88 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -174.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.488 ' H ' ' HG3' ' A' ' 47' ' ' GLN . 20.4 t70 -59.18 142.93 50.45 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.314 0.384 . . . . 0.0 110.529 177.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 61.5 t-105 -94.15 153.25 18.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.162 0.506 . . . . 0.0 111.569 -172.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.8 t30 . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.808 -178.876 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -108.95 118.21 52.02 Favored Pre-proline 0 N--CA 1.449 -0.521 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.335 -175.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_exo -50.51 142.07 31.64 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 123.976 3.117 . . . . 0.0 114.073 -176.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.46 ' CD1' ' HE1' ' A' ' 85' ' ' PHE . 61.7 m-85 -123.94 143.98 50.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.923 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.496 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 42.9 mt-10 -104.27 137.88 41.54 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -107.17 117.05 33.05 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.789 0.328 . . . . 0.0 111.246 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.6 mtt180 -103.98 107.62 18.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.245 173.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 1.004 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 90.8 mt -105.41 102.88 12.33 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.035 177.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.524 ' HB2' ' HB3' ' A' ' 19' ' ' ASP . 70.5 m-85 -80.93 106.88 13.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.991 179.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.404 HD22 HG13 ' A' ' 67' ' ' VAL . 45.4 tp -102.86 -23.02 13.78 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.248 0.547 . . . . 0.0 109.875 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -159.84 -159.22 9.65 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.049 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.8 tp -82.16 -43.11 18.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.88 0.371 . . . . 0.0 110.139 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -104.89 -13.58 15.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.512 177.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.404 HG13 HD22 ' A' ' 63' ' ' LEU . 31.7 t -90.67 86.11 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-O 121.321 0.581 . . . . 0.0 110.568 -178.237 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.9 tp -109.89 116.01 30.85 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.794 176.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 1.004 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 58.3 mt -83.84 104.0 11.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.813 177.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 70' ' ' ARG . 16.7 ttt-85 -108.1 111.11 22.98 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.524 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.6 ptp -130.26 136.42 49.17 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 174.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.523 ' HB2' ' HB3' ' A' ' 89' ' ' HIS . 89.6 mt-10 -95.0 115.86 27.97 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.516 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 8.7 pt -115.59 153.65 17.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.659 -168.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.3 p -114.48 118.88 35.04 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.548 176.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 55.1 tp -57.97 115.07 2.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.95 0.405 . . . . 0.0 110.608 -178.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -91.12 -50.8 5.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.839 -175.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 66.2 p-90 -145.26 147.43 32.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.576 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -143.84 113.25 6.94 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.381 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -156.81 144.28 19.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.675 0.274 . . . . 0.0 111.196 -179.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 59.85 24.34 13.37 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.167 171.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.69 -19.21 55.65 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.723 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.7 mt -86.96 129.21 34.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.984 0.421 . . . . 0.0 110.831 -178.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.581 HD12 ' HB3' ' A' ' 45' ' ' GLN . 75.6 mt -114.52 110.65 20.15 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.217 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -104.19 113.04 4.3 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.959 -0.638 . . . . 0.0 111.884 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.516 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 54.4 m-85 -104.4 141.18 36.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.924 0.392 . . . . 0.0 110.621 -179.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -87.28 127.06 35.18 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 174.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.699 ' SG ' HG12 ' A' ' 90' ' ' ILE . 3.2 t -71.85 101.02 2.53 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.187 0.518 . . . . 0.0 109.635 -179.279 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.753 HE21 ' HA ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -85.3 -61.51 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.798 -171.872 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.523 ' HB3' ' HB2' ' A' ' 72' ' ' GLU . 10.7 t-160 -118.18 98.38 6.27 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.441 -179.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.699 HG12 ' SG ' ' A' ' 87' ' ' CYS . 1.1 mt -92.24 114.36 29.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.457 ' O ' HG12 ' A' ' 95' ' ' ILE . 21.3 t70 -71.79 143.41 49.54 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 -178.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.0 mp -54.16 -35.41 62.24 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.644 0.59 . . . . 0.0 111.781 -176.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -66.22 -39.26 89.46 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.382 0.61 . . . . 0.0 110.295 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.6 m -73.82 -27.42 61.1 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.81 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.457 HG12 ' O ' ' A' ' 91' ' ' ASP . 42.2 mm -57.57 -46.67 86.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 172.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.0 t -67.53 -43.15 81.47 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.293 -178.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -60.86 -53.47 56.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.345 -178.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 54.9 tp -64.4 -50.58 67.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 -175.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -63.42 -48.64 76.93 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.708 -176.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 100' ' ' ARG . 48.4 mtt-85 -69.72 -28.14 65.56 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -174.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 55.1 tp -67.0 -41.03 87.41 Favored 'General case' 0 C--O 1.22 -0.479 0 C-N-CA 120.155 -0.618 . . . . 0.0 109.775 174.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.715 HG23 HD11 ' A' ' 112' ' ' LEU . 93.3 t -70.21 -41.24 78.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.782 0.325 . . . . 0.0 110.705 178.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -67.29 -58.01 5.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.48 -178.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.86 -23.68 66.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.951 0.405 . . . . 0.0 112.026 -174.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -101.54 4.29 40.91 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.061 0.458 . . . . 0.0 110.279 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 54.8 42.99 30.74 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.659 177.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -82.85 -1.64 90.62 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 121.162 -0.542 . . . . 0.0 113.032 -178.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.501 ' OD2' ' HB2' ' A' ' 110' ' ' GLU . 14.3 t70 73.82 129.07 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.472 0.709 . . . . 0.0 111.555 177.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -74.69 -25.43 59.15 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -174.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.501 ' HB2' ' OD2' ' A' ' 108' ' ' ASP . 0.6 OUTLIER -63.48 -24.19 67.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.758 0.313 . . . . 0.0 111.589 -173.722 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.504 ' HB3' HH11 ' A' ' 114' ' ' ARG . 72.6 mt -76.01 -21.98 56.3 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.027 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.715 HD11 HG23 ' A' ' 102' ' ' VAL . 94.2 mt -80.7 -13.92 58.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.083 0.468 . . . . 0.0 110.352 178.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -120.87 31.9 6.21 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.803 -173.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.57 HH21 ' HA ' ' A' ' 119' ' ' LEU . 64.9 mtm-85 -75.4 -88.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 175.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.71 ' O ' HD12 ' A' ' 119' ' ' LEU . 0.8 OUTLIER 175.93 158.3 0.25 Allowed 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 106.494 -1.669 . . . . 0.0 106.494 173.271 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 63.9 tp -63.46 -35.56 80.85 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 118.872 0.76 . . . . 0.0 109.823 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -79.88 -3.11 46.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.089 0.471 . . . . 0.0 110.888 175.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 49.3 mt -107.6 7.09 28.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.601 0.715 . . . . 0.0 110.057 175.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.71 HD12 ' O ' ' A' ' 115' ' ' GLU . 4.9 mp -101.11 91.18 4.42 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 172.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.868 HG21 ' H ' ' A' ' 121' ' ' SER . 7.4 p -108.33 -171.68 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.781 -170.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.868 ' H ' HG21 ' A' ' 120' ' ' VAL . 47.3 m -72.16 172.08 10.83 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 122.777 0.431 . . . . 0.0 111.23 -176.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.374 179.727 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.8 pt . . . . . 0 N--CA 1.451 -0.421 0 CA-C-O 121.787 0.803 . . . . 0.0 110.463 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.38 100.24 6.92 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.35 -0.841 . . . . 0.0 108.863 176.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -87.33 152.31 22.38 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.84 -171.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -78.0 64.96 3.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.697 0.76 . . . . 0.0 109.863 173.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.21 155.1 33.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.831 -174.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.503 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 6.9 m-20 -83.3 128.58 34.62 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 177.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 p -120.87 111.92 18.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.948 0.404 . . . . 0.0 111.306 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.652 ' HG2' ' HG2' ' A' ' 30' ' ' GLU . 37.5 mt-10 -114.94 135.77 53.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.374 177.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.49 HG23 ' HH2' ' A' ' 49' ' ' TRP . 90.2 mt -103.07 112.95 38.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.222 0.534 . . . . 0.0 109.951 175.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.455 HD12 ' HB2' ' A' ' 60' ' ' ARG . 3.1 mt -95.83 146.01 24.9 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.942 -176.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -143.87 84.26 1.78 Allowed 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 172.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.98 -96.29 0.16 Allowed Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.306 -0.861 . . . . 0.0 113.008 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -81.76 -24.63 35.92 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.386 -0.407 . . . . 0.0 111.552 -174.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -119.34 164.2 16.05 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.655 -169.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.45 ' O ' ' HD2' ' A' ' 28' ' ' ARG . 0.3 OUTLIER -147.85 133.09 18.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.292 175.777 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 27.8 m-90 -116.72 119.19 34.68 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.232 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.652 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 41.7 mt-10 -73.43 122.56 22.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.312 0.577 . . . . 0.0 110.499 176.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.585 HG21 ' HG3' ' A' ' 45' ' ' GLN . 11.2 p -120.78 162.86 19.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.415 -173.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.5 mp -88.5 122.85 32.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.341 175.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.9 tp -70.78 146.47 49.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.04 175.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -135.59 -57.69 0.78 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.42 177.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.542 ' OD2' ' HG ' ' A' ' 119' ' ' LEU . 6.5 t70 -149.71 143.03 25.19 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 176.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.8 p -148.14 150.44 14.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 110.523 -0.177 . . . . 0.0 110.523 -173.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.812 ' HG ' ' HA ' ' A' ' 112' ' ' LEU . 10.3 t -166.99 -164.02 0.59 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.033 0.444 . . . . 0.0 111.064 -179.191 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 59.5 mt -88.2 8.85 25.14 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.72 -174.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -109.21 -12.69 14.76 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 121.703 0.763 . . . . 0.0 109.11 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.438 ' HA3' ' O ' ' A' ' 85' ' ' PHE . . . 142.13 -143.36 12.77 Favored Glycine 0 N--CA 1.44 -1.049 0 CA-C-N 114.593 -1.185 . . . . 0.0 111.111 -174.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.4 tt -165.33 144.27 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.703 0.252 . . . . 0.0 110.874 -174.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.4 tp -116.85 115.24 25.16 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.143 0.496 . . . . 0.0 109.786 174.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.489 HG21 HD13 ' A' ' 22' ' ' ILE . 14.2 m -119.19 176.96 2.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.572 -178.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -136.65 121.58 2.42 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.257 -0.973 . . . . 0.0 113.084 -178.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.585 ' HG3' HG21 ' A' ' 31' ' ' VAL . 33.9 mt-30 -117.68 167.69 10.65 Favored Pre-proline 0 C--N 1.324 -0.515 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 172.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.505 ' O ' ' HG3' ' A' ' 47' ' ' GLN . 39.1 Cg_exo -60.01 -64.09 0.11 Allowed 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 121.819 1.68 . . . . 0.0 110.604 169.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' A' ' 46' ' ' PRO . 39.8 mt-30 -171.5 -170.92 0.86 Allowed 'General case' 0 C--O 1.233 0.236 0 O-C-N 124.084 0.865 . . . . 0.0 109.252 177.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' A' ' 47' ' ' GLN . 1.1 m-20 77.31 152.72 0.13 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.647 0.981 . . . . 0.0 113.647 171.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.577 ' CZ2' HD13 ' A' ' 83' ' ' LEU . 9.0 m95 -153.2 -172.04 4.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.044 -1.434 . . . . 0.0 109.328 176.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 120.742 0.306 . . . . 0.0 110.606 176.888 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 . . . . . 0 C--O 1.232 0.151 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -92.97 112.45 56.07 Favored Pre-proline 0 N--CA 1.446 -0.673 0 CA-C-N 114.449 -1.251 . . . . 0.0 110.15 177.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -56.43 139.69 87.51 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 123.238 2.625 . . . . 0.0 112.233 177.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -111.8 158.06 19.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.447 -178.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -134.39 130.12 36.39 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.467 ' HB2' HD11 ' A' ' 73' ' ' ILE . . . -97.3 122.77 40.71 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.315 -179.527 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.455 ' HB2' HD12 ' A' ' 23' ' ' LEU . 50.8 ttp180 -114.53 105.17 12.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.669 179.052 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.876 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 70.7 mt -103.97 128.07 51.52 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.776 -175.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.503 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 62.9 m-85 -99.0 113.07 25.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.648 179.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -113.43 2.62 15.49 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.169 0.509 . . . . 0.0 109.801 174.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.85 -175.72 47.73 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.052 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.1 mp -68.04 -42.03 81.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.072 0.463 . . . . 0.0 110.04 177.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -100.78 -33.85 10.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.939 176.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.9 t -67.37 96.46 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.149 0.5 . . . . 0.0 110.817 -175.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.441 HD11 ' CG ' ' A' ' 60' ' ' ARG . 32.7 tp -121.78 122.31 39.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.285 -176.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.876 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 62.6 mt -99.84 106.67 19.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.07 178.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.2 ptp85 -107.39 127.69 53.81 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.263 178.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.42 ' CG ' ' HB1' ' A' ' 59' ' ' ALA . 23.2 ptm -142.74 122.66 13.55 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.093 0.473 . . . . 0.0 110.657 177.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.651 ' HG2' HE21 ' A' ' 88' ' ' GLN . 34.2 tt0 -71.11 126.26 29.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.297 177.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.633 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 14.5 pt -132.27 151.65 35.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.48 0.657 . . . . 0.0 111.962 -173.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.431 ' HB3' ' OE1' ' A' ' 88' ' ' GLN . 10.8 p -112.16 138.15 49.23 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.65 174.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 43.8 tp -74.74 103.17 4.91 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.18 -44.79 12.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.349 -175.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 63.3 p-90 -151.46 146.94 26.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.967 0.413 . . . . 0.0 110.961 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -131.27 99.15 4.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.646 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.631 ' HB3' ' HB2' ' A' ' 82' ' ' LEU . 16.9 tpt180 -84.03 67.63 9.74 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.106 176.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.7 t70 63.17 -85.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.405 -176.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -98.16 -22.35 15.38 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.39 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.631 ' HB2' ' HB3' ' A' ' 79' ' ' ARG . 81.4 mt -84.59 113.49 21.29 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -179.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.577 HD13 ' CZ2' ' A' ' 49' ' ' TRP . 34.0 mt -108.78 110.51 21.91 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -172.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -99.28 117.11 5.77 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.054 -0.594 . . . . 0.0 112.026 -178.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.633 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 97.5 m-85 -109.14 146.81 33.48 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.933 0.397 . . . . 0.0 111.022 -178.371 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -104.13 149.13 25.51 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.151 175.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 8.3 p -78.48 119.79 22.28 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.97 0.415 . . . . 0.0 111.777 -176.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.651 HE21 ' HG2' ' A' ' 72' ' ' GLU . 26.0 mt-30 -96.3 -35.85 11.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.652 175.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -167.42 100.53 0.5 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.893 0.378 . . . . 0.0 111.025 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 37.9 mt -89.9 121.08 39.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 175.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.431 ' O ' HG13 ' A' ' 95' ' ' ILE . 18.7 t70 -66.75 150.45 49.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.808 0.337 . . . . 0.0 111.188 -175.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 72.3 mt -61.8 -39.05 90.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.61 -176.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -66.74 -40.92 88.52 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.504 ' HB3' HG23 ' A' ' 69' ' ' ILE . 15.3 m -59.11 -47.44 85.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.765 176.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 91' ' ' ASP . 73.5 mt -60.3 -43.65 94.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.448 178.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 44.5 m -59.15 -44.78 92.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.844 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -69.7 -38.03 76.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.93 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.5 tp -66.48 -41.98 88.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.656 0.265 . . . . 0.0 110.988 -179.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -60.26 -43.97 95.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.01 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.591 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -67.38 -39.74 85.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.573 177.52 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.5 tp -61.37 -46.3 90.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.273 -177.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.46 HG22 HD12 ' A' ' 112' ' ' LEU . 59.4 t -66.1 -36.72 78.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 177.081 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -59.62 -40.32 87.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.793 176.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 85.2 mt -73.46 -8.85 57.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.385 -178.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -106.89 -30.32 8.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.072 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 88.9 mt 62.72 19.7 11.58 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.576 0.547 . . . . 0.0 111.125 -178.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -87.62 53.77 4.35 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.577 -176.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 63.61 111.31 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.73 0.776 . . . . 0.0 112.546 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.93 -17.43 61.02 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 173.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.59 -28.11 69.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.324 177.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.486 HD21 HH11 ' A' ' 114' ' ' ARG . 43.6 mt -65.36 -20.71 66.51 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.07 0.462 . . . . 0.0 110.508 179.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.812 ' HA ' ' HG ' ' A' ' 37' ' ' SER . 95.2 mt -75.27 -8.16 55.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.07 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -122.43 30.94 6.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.698 0.285 . . . . 0.0 111.448 -177.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.486 HH11 HD21 ' A' ' 111' ' ' LEU . 29.2 mtm180 -85.22 -159.07 0.41 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 173.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.462 ' O ' HD11 ' A' ' 119' ' ' LEU . 5.2 tm-20 -116.28 156.95 25.72 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 174.245 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 67.6 tp -54.99 -40.07 69.7 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 117.919 0.327 . . . . 0.0 111.797 -176.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.41 -16.27 63.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.722 0.296 . . . . 0.0 111.738 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 88.5 mt -87.27 -14.97 39.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.235 0.541 . . . . 0.0 110.296 176.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.542 ' HG ' ' OD2' ' A' ' 35' ' ' ASP . 9.8 mp -84.66 79.65 9.52 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 175.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 15.6 t -96.28 149.85 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.421 -173.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 74.4 m -79.3 172.09 14.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.18 177.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.234 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.216 178.445 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.676 ' O ' ' HA ' ' A' ' 35' ' ' ASP . 48.3 mm . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 121.845 0.831 . . . . 0.0 111.504 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -150.97 108.99 3.71 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.425 177.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -95.54 165.25 12.43 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -78.66 47.58 0.74 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.765 0.793 . . . . 0.0 110.271 176.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 62' ' ' TYR . . . -107.9 174.14 6.01 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.389 -177.336 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.518 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 5.2 m-20 -93.52 130.17 39.48 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 177.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 p -126.94 110.93 13.53 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.956 0.408 . . . . 0.0 111.0 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -112.03 142.13 44.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.469 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 74.9 mt -100.32 124.56 53.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 171.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.509 ' HB2' ' HB2' ' A' ' 58' ' ' GLU . 39.5 mt -112.33 163.51 14.32 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.021 0.439 . . . . 0.0 110.93 -174.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -146.77 72.78 1.29 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 170.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.02 -60.29 2.65 Favored Glycine 0 CA--C 1.522 0.48 0 CA-C-N 115.155 -0.929 . . . . 0.0 113.127 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -121.82 -45.39 2.28 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -172.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 mtm180 -86.41 149.83 24.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.802 0.335 . . . . 0.0 111.307 -172.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -126.2 130.29 50.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.195 -172.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 16.8 m-90 -127.1 106.83 9.53 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.521 0.2 . . . . 0.0 110.775 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -68.7 120.63 14.98 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.4 p -126.79 153.01 35.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.368 -0.378 . . . . 0.0 109.989 -177.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.472 HD12 ' HG3' ' A' ' 45' ' ' GLN . 9.3 mp -80.9 126.97 32.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.729 0.299 . . . . 0.0 110.681 178.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.0 tp -76.93 140.0 40.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.834 176.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -122.74 -36.54 2.88 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 177.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.676 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 12.7 t70 -163.89 160.98 22.74 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 172.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.1 p -157.09 124.91 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.136 0.493 . . . . 0.0 110.17 178.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 69.9 p -132.6 -173.11 3.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.111 0.481 . . . . 0.0 111.254 -175.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.614 HD11 HD13 ' A' ' 90' ' ' ILE . 52.7 tp -79.5 -3.86 48.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.518 0.675 . . . . 0.0 110.661 -177.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.439 ' ND1' ' HA ' ' A' ' 115' ' ' GLU . 2.6 m80 -102.7 -30.72 10.73 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 122.17 0.986 . . . . 0.0 109.221 -175.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.65 ' HA2' ' SG ' ' A' ' 87' ' ' CYS . . . 171.08 178.74 41.8 Favored Glycine 0 N--CA 1.436 -1.313 0 CA-C-N 113.755 -1.566 . . . . 0.0 111.449 -174.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.9 tt -123.22 138.81 51.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-O 120.96 0.41 . . . . 0.0 109.985 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.8 tp -114.05 100.72 8.6 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.295 0.569 . . . . 0.0 110.411 -177.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.5 m -105.71 -175.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 176.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -179.9 121.92 0.76 Allowed Glycine 0 N--CA 1.442 -0.949 0 C-N-CA 119.298 -1.43 . . . . 0.0 113.328 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.472 ' HG3' HD12 ' A' ' 32' ' ' LEU . 1.2 tm0? 177.64 -58.33 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.432 0 O-C-N 124.505 0.767 . . . . 0.0 109.98 176.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.465 ' HD3' ' CB ' ' A' ' 45' ' ' GLN . 2.1 Cg_endo -81.85 149.94 16.12 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 122.288 1.992 . . . . 0.0 112.214 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -116.1 -13.93 11.18 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.338 177.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.95 163.33 22.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.584 179.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -134.47 -179.06 5.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.005 0.431 . . . . 0.0 111.58 -176.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.2 t30 . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.402 -178.883 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 . . . . . 0 CA--C 1.527 0.086 0 CA-C-O 120.698 0.285 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -86.12 130.93 48.19 Favored Pre-proline 0 N--CA 1.449 -0.507 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -49.14 116.64 2.34 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.413 2.742 . . . . 0.0 112.675 177.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.416 ' CD1' ' HE2' ' A' ' 85' ' ' PHE . 27.6 m-85 -108.53 143.27 37.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.102 -179.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.509 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 35.6 mt-10 -116.32 150.68 37.28 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 178.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.447 ' HB1' ' CG ' ' A' ' 71' ' ' MET . . . -116.82 126.01 52.41 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 120.781 0.324 . . . . 0.0 110.293 176.031 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -120.09 105.3 10.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.564 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.749 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 77.8 mt -101.97 130.44 48.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.925 -174.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.518 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 42.6 m-85 -103.9 93.5 4.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.602 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.5 HD22 HD23 ' A' ' 101' ' ' LEU . 9.9 mp -93.07 -5.92 49.3 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.639 0.733 . . . . 0.0 109.585 177.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.77 175.88 44.45 Favored Glycine 0 N--CA 1.44 -1.046 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.628 177.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.3 mp -69.8 -30.19 67.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.075 0.464 . . . . 0.0 110.312 177.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -110.56 3.98 19.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.81 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.2 t -114.7 85.84 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.933 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 45.0 tp -107.89 129.83 55.06 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.121 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.749 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 56.9 mt -113.59 123.05 68.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.637 178.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.2 ptt85 -116.35 144.54 44.13 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 173.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.447 ' CG ' ' HB1' ' A' ' 59' ' ' ALA . 15.8 ptm -158.58 140.18 13.52 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.202 178.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.516 ' HB2' ' HB3' ' A' ' 89' ' ' HIS . 2.3 mp0 -93.01 123.29 36.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.299 -177.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 23.3 pt -128.88 171.61 16.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.046 -176.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.48 ' HB2' ' NE2' ' A' ' 88' ' ' GLN . 9.0 t -140.41 135.88 32.51 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 175.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 44.2 tp -71.57 112.74 7.93 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.093 0.473 . . . . 0.0 110.931 -176.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.14 -55.83 3.64 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.918 -177.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 64.3 p-90 -141.25 142.49 33.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.863 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -137.23 120.35 16.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.019 177.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.0 ttt180 -145.69 138.28 25.76 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.856 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 57.38 -102.98 0.16 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.733 0.646 . . . . 0.0 110.791 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.409 ' O ' HD21 ' A' ' 82' ' ' LEU . . . -133.92 34.51 2.38 Favored Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 175.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.409 HD21 ' O ' ' A' ' 81' ' ' GLY . 82.4 mt -131.99 125.94 32.76 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.0 mp -129.97 119.37 23.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.061 0.458 . . . . 0.0 110.854 -177.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -101.43 119.34 6.46 Favored Glycine 0 N--CA 1.444 -0.823 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.88 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.416 ' HE2' ' CD1' ' A' ' 57' ' ' PHE . 28.1 m-85 -105.15 140.68 37.95 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -85.14 141.44 30.19 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 173.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.65 ' SG ' ' HA2' ' A' ' 40' ' ' GLY . 34.6 m -86.66 107.5 18.22 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 120.921 0.391 . . . . 0.0 110.584 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.48 ' NE2' ' HB2' ' A' ' 74' ' ' SER . 44.9 mt-30 -81.64 -50.27 9.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.636 -178.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 72' ' ' GLU . 8.3 t60 -138.32 98.33 3.58 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.565 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.614 HD13 HD11 ' A' ' 38' ' ' LEU . 25.0 mt -93.96 106.68 18.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 169.045 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -70.58 160.83 31.79 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.987 -172.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.429 ' N ' HD13 ' A' ' 92' ' ' LEU . 6.6 mp -62.82 -36.2 82.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.273 -178.32 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -64.93 -37.73 88.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.83 177.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 35.7 t -63.51 -52.18 62.35 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.33 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 65.8 mt -58.45 -40.21 77.62 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.388 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.64 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 54.7 m -56.33 -53.41 57.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.239 -178.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -67.03 -46.31 74.81 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -176.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.9 -47.51 82.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.01 0.433 . . . . 0.0 110.872 -178.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.416 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 15.8 tpp180 -58.55 -44.53 89.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.007 -179.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.533 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 2.1 mmp_? -55.01 -50.89 67.9 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.271 0.357 . . . . 0.0 111.117 179.109 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.5 HD23 HD22 ' A' ' 63' ' ' LEU . 34.8 tp -64.6 -40.6 95.8 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.317 -178.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 37.5 t -53.71 -48.81 60.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.568 177.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 99' ' ' ARG . 40.2 mt-10 -64.94 -43.41 92.82 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.391 -178.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 75.3 mt -70.1 -35.32 74.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.48 -177.23 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.66 0.73 56.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.557 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 26.0 tp 61.6 40.93 12.89 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.615 0.722 . . . . 0.0 110.376 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -73.52 103.22 1.39 Allowed Glycine 0 N--CA 1.44 -1.066 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 175.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -49.41 129.71 19.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.765 0.317 . . . . 0.0 110.49 175.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.1 -9.85 58.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.975 -175.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -50.63 -53.62 29.33 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.741 0.305 . . . . 0.0 110.576 -179.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 54.1 mt -58.8 -45.14 90.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.86 -178.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.56 -22.16 66.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.536 -176.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -121.01 26.26 9.15 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.505 -169.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.411 ' HB3' ' H ' ' A' ' 115' ' ' GLU . 17.8 ttm180 -93.3 -100.2 0.14 Allowed 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 174.447 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.439 ' HA ' ' ND1' ' A' ' 39' ' ' HIS . 0.4 OUTLIER -169.33 157.8 7.71 Favored 'General case' 0 C--O 1.223 -0.328 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 170.111 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.435 ' H ' ' CD ' ' A' ' 115' ' ' GLU . 63.4 tp -59.75 -47.4 85.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.993 0.425 . . . . 0.0 110.012 177.219 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.61 -12.54 61.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.295 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.405 HD13 ' HB2' ' A' ' 115' ' ' GLU . 76.4 mt -96.8 -6.16 36.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.104 0.478 . . . . 0.0 110.354 177.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.444 HD23 ' OD2' ' A' ' 35' ' ' ASP . 1.5 mp -104.18 158.64 16.3 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.517 -177.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.2 p -151.61 150.07 13.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 63.9 m -68.3 172.28 6.12 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.057 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.236 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -176.355 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.8 tp . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 70.9 -53.9 0.67 Allowed 'General case' 0 N--CA 1.472 0.665 0 O-C-N 123.491 0.495 . . . . 0.0 110.523 -172.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.6 p90 47.42 -169.67 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 171.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -94.27 101.11 13.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.371 178.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.08 139.19 44.53 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.64 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.529 ' HB3' ' HB2' ' A' ' 62' ' ' TYR . 7.3 t70 -84.58 113.38 21.21 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 174.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.3 t -114.45 137.6 51.64 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.32 0.581 . . . . 0.0 111.834 -171.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.444 ' HG2' ' HE2' ' A' ' 62' ' ' TYR . 8.1 pt-20 -136.23 130.47 33.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.896 172.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.483 ' O ' ' HE3' ' A' ' 29' ' ' TRP . 86.9 mt -98.9 116.34 41.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.892 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.528 ' HB2' ' HB2' ' A' ' 58' ' ' GLU . 3.9 mt -96.03 164.19 12.81 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.186 0.517 . . . . 0.0 110.933 -174.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -144.59 74.36 1.41 Allowed 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.171 -0.922 . . . . 0.0 108.619 166.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.71 -53.4 4.85 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.423 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -135.09 -54.42 0.8 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.673 0.273 . . . . 0.0 111.637 -175.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 23' ' ' LEU . 97.5 mtt180 -78.91 155.5 29.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.047 -173.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.434 ' HB2' ' HB2' ' A' ' 21' ' ' GLU . 33.9 ptt180 -133.46 131.34 39.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.482 0.658 . . . . 0.0 111.848 -178.224 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.557 ' HZ2' ' HB3' ' A' ' 50' ' ' ASN . 28.0 m-90 -95.99 114.11 25.79 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.949 173.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -69.25 129.25 39.3 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 174.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.7 p -147.82 148.13 16.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.533 -175.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.3 mp -84.89 124.18 31.33 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.189 176.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.5 tp -72.43 141.15 48.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.147 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -124.79 -19.15 5.38 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.456 179.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -175.48 158.84 2.33 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 172.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.3 p -160.4 141.39 3.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.876 0.369 . . . . 0.0 110.542 -177.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.9 p -158.7 -166.48 1.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.823 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.9 mt -101.54 20.16 16.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.341 0.591 . . . . 0.0 110.569 -177.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -141.89 15.97 2.12 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.765 177.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.81 162.41 9.88 Favored Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.349 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.459 ' CG2' ' HB2' ' A' ' 85' ' ' PHE . 7.7 tt -137.94 133.5 44.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.649 HD13 ' HB3' ' A' ' 82' ' ' LEU . 43.2 tp -112.99 122.33 47.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.151 0.501 . . . . 0.0 110.797 -175.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.4 m -126.7 166.37 23.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.777 178.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -115.46 93.73 0.63 Allowed Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 176.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.843 ' HB3' HD12 ' A' ' 83' ' ' LEU . 49.7 tt0 -115.79 113.05 42.46 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-O 121.007 0.432 . . . . 0.0 111.937 -170.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -83.71 -9.69 9.87 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 123.529 2.819 . . . . 0.0 111.534 171.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -73.12 138.34 45.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.114 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -79.45 148.01 32.07 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.551 -173.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.533 ' HA ' ' CE3' ' A' ' 49' ' ' TRP . 4.5 m95 -75.71 134.14 40.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.372 177.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.557 ' HB3' ' HZ2' ' A' ' 29' ' ' TRP . 28.2 p-10 . . . . . 0 N--CA 1.466 0.341 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.43 -171.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 . . . . . 0 N--CA 1.462 0.155 0 CA-C-O 120.996 0.427 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.8 mtp85 -79.18 147.05 68.49 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 175.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -65.52 131.95 29.55 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.644 2.229 . . . . 0.0 112.707 -176.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -119.43 166.19 13.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.021 179.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.528 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 29.8 mt-10 -127.31 131.79 50.39 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.6 ' O ' ' HA ' ' A' ' 70' ' ' ARG . . . -98.85 108.41 21.09 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 121.135 -0.226 . . . . 0.0 110.476 179.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.487 ' HA ' ' O ' ' A' ' 69' ' ' ILE . 37.5 ttp180 -113.77 111.53 21.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.093 0.473 . . . . 0.0 110.2 177.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.635 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 81.8 mt -105.62 125.45 51.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.268 -176.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.529 ' HB2' ' HB3' ' A' ' 19' ' ' ASP . 58.4 m-85 -93.38 111.29 22.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.218 175.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.752 HD12 HD21 ' A' ' 101' ' ' LEU . 80.2 mt -107.81 -10.03 15.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.515 0.674 . . . . 0.0 110.094 177.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 177.2 -162.34 30.39 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.498 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.9 mp -90.78 -16.32 28.58 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 117.159 0.48 . . . . 0.0 110.46 177.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -108.01 -42.09 4.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.995 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.9 t -84.32 96.83 4.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.053 0.454 . . . . 0.0 111.1 -177.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.5 tp -116.99 120.62 38.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.598 176.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.635 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 62.7 mt -99.06 138.36 23.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.539 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.6 ' HA ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -143.17 143.83 31.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.682 -0.236 . . . . 0.0 110.422 175.239 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.459 ' HA ' ' NH2' ' A' ' 70' ' ' ARG . 25.9 ptt? -161.82 152.92 18.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.356 175.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.503 ' HB2' ' HB3' ' A' ' 89' ' ' HIS . 57.5 mp0 -86.04 129.43 34.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.894 0.378 . . . . 0.0 110.442 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.512 HG21 ' HA ' ' A' ' 87' ' ' CYS . 19.0 pt -133.07 163.58 37.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -177.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.3 t -139.45 136.63 34.84 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 175.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.409 HD11 ' HB3' ' A' ' 78' ' ' ALA . 1.5 tm? -76.72 112.49 13.35 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -177.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -123.18 -4.72 8.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.409 0.623 . . . . 0.0 110.223 176.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.527 ' CZ3' ' HB2' ' A' ' 79' ' ' ARG . 9.8 t90 -132.28 134.34 45.16 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-O 122.116 0.96 . . . . 0.0 109.483 -177.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.409 ' HB3' HD11 ' A' ' 75' ' ' LEU . . . -155.04 99.38 2.1 Favored 'General case' 0 C--N 1.284 -2.274 0 CA-C-N 113.715 -1.584 . . . . 0.0 110.632 -175.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.527 ' HB2' ' CZ3' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -103.42 76.18 1.4 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.672 178.268 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 36.9 t70 63.07 -88.52 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.349 -177.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -108.23 -12.12 22.46 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.386 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.649 ' HB3' HD13 ' A' ' 42' ' ' LEU . 96.2 mt -88.08 112.91 23.19 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 176.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.843 HD12 ' HB3' ' A' ' 45' ' ' GLN . 95.1 mt -102.59 122.39 44.29 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.782 -175.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -109.71 107.79 2.41 Favored Glycine 0 N--CA 1.444 -0.825 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.764 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.482 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 57.8 m-85 -93.16 128.52 39.14 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.31 138.27 33.62 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 173.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.512 ' HA ' HG21 ' A' ' 73' ' ' ILE . 3.7 p -84.82 114.25 21.95 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.017 -175.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -82.74 -55.24 4.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.462 -178.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.503 ' HB3' ' HB2' ' A' ' 72' ' ' GLU . 28.6 t60 -126.49 112.26 15.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.364 -176.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.432 HD13 ' HB2' ' A' ' 87' ' ' CYS . 1.9 mp -118.18 115.79 49.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.996 176.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.405 ' O ' HG13 ' A' ' 95' ' ' ILE . 5.3 p-10 -83.04 159.9 22.07 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.807 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 40.8 tp -62.93 -29.96 71.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.155 -177.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.68 -47.93 70.88 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.2 t -56.13 -49.34 74.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.226 175.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 91' ' ' ASP . 77.1 mt -57.65 -48.6 82.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.439 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.3 p -64.2 -37.93 89.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.69 -175.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -69.72 -43.78 71.68 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.54 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -66.14 -53.93 31.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.225 -177.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -57.85 -46.41 84.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.55 -178.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.584 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 30.5 ttt180 -65.84 -36.19 82.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.131 -173.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.752 HD21 HD12 ' A' ' 63' ' ' LEU . 25.4 tp -64.7 -40.83 96.03 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.503 179.103 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 56.2 t -60.74 -39.26 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.265 177.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -68.53 -35.14 77.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.769 177.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 93.5 mt -72.25 -20.78 61.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.299 -178.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -118.04 8.81 12.56 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -175.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 31.0 tp 57.35 46.53 18.21 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.472 0.653 . . . . 0.0 110.779 178.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.415 ' O ' HD11 ' A' ' 111' ' ' LEU . . . -80.2 -4.38 89.81 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.602 -0.727 . . . . 0.0 113.032 -177.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.7 t70 74.87 126.6 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.239 0.616 . . . . 0.0 111.508 178.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -78.13 -15.62 58.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.455 -174.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -80.06 -30.32 39.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.689 0.28 . . . . 0.0 110.623 -177.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.415 HD11 ' O ' ' A' ' 107' ' ' GLY . 75.1 mt -62.89 -26.27 68.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.266 0.555 . . . . 0.0 110.34 176.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.418 ' O ' HD23 ' A' ' 112' ' ' LEU . 9.9 tt -75.15 -18.75 60.14 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.178 177.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -109.95 26.8 10.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.653 -171.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -78.14 -157.51 0.11 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 167.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.554 ' O ' HD11 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -128.13 158.88 36.8 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 172.701 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.438 ' H ' ' CD ' ' A' ' 115' ' ' GLU . 29.9 tp -50.39 -45.39 55.45 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.088 0.243 . . . . 0.0 111.356 178.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.48 -7.27 36.57 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 178.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 49.4 mt -107.8 -8.51 16.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.641 0.258 . . . . 0.0 110.628 179.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.554 HD11 ' O ' ' A' ' 115' ' ' GLU . 2.5 mp -79.75 97.13 6.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.495 0.664 . . . . 0.0 111.401 -173.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 20.7 t -90.89 154.91 3.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.842 174.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.0 p -62.93 171.67 2.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.738 0.304 . . . . 0.0 111.63 -178.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.386 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.132 -179.67 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.611 ' O ' ' HA ' ' A' ' 35' ' ' ASP . 50.2 mm . . . . . 0 CA--C 1.527 0.061 0 CA-C-O 121.661 0.743 . . . . 0.0 112.193 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.67 123.25 11.78 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.52 175.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -120.01 -173.24 2.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.942 -177.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -83.17 13.79 3.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.077 0.465 . . . . 0.0 110.22 174.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.584 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -75.96 119.42 19.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.953 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -86.27 137.88 32.28 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 171.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.512 ' HA ' ' O ' ' A' ' 60' ' ' ARG . 22.8 t -116.08 131.61 56.89 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.861 -172.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.542 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 51.5 mt-10 -107.87 126.51 52.75 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.744 176.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.531 HG22 ' HH2' ' A' ' 49' ' ' TRP . 70.8 mt -99.8 107.52 20.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 170.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.674 ' HG ' ' HB2' ' A' ' 58' ' ' GLU . 0.3 OUTLIER -117.46 163.49 16.3 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.169 -178.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -142.42 70.84 1.33 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.999 178.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.96 -68.6 2.25 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.292 -0.867 . . . . 0.0 113.282 -179.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.47 ' HG2' ' HG3' ' A' ' 27' ' ' ARG . 38.1 tt0 -89.21 -64.03 1.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -174.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.47 ' HG3' ' HG2' ' A' ' 26' ' ' GLU . 46.2 mtt85 -106.79 157.36 17.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.982 0.42 . . . . 0.0 111.796 -170.317 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.585 ' HG2' ' HB3' ' A' ' 23' ' ' LEU . 35.6 mtt-85 -129.45 132.55 46.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.21 -173.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 26.2 m-90 -130.93 117.71 19.63 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.542 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 0.5 OUTLIER -77.33 152.55 34.45 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.338 0.589 . . . . 0.0 110.798 -177.757 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.5 p -135.5 157.67 39.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.699 -172.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.4 mt -80.93 120.99 25.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.889 178.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.6 tp -73.75 134.24 43.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.775 175.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -120.75 -37.16 3.04 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.499 178.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.611 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 6.4 t70 -168.91 162.21 11.14 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 173.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.436 HG23 ' HB ' ' A' ' 41' ' ' ILE . 8.1 p -161.85 142.44 3.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.082 0.468 . . . . 0.0 110.743 -178.501 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 112' ' ' LEU . 69.9 p -134.33 -174.33 3.53 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.256 179.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 50.2 tp -79.06 -1.98 38.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.72 0.771 . . . . 0.0 109.979 176.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.754 ' HD1' ' HA ' ' A' ' 115' ' ' GLU . 5.4 m170 -105.5 -45.26 4.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.749 -175.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.476 ' HA3' HD11 ' A' ' 116' ' ' LEU . . . -164.82 168.63 39.15 Favored Glycine 0 N--CA 1.444 -0.832 0 CA-C-N 114.495 -1.23 . . . . 0.0 112.289 -178.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.436 ' HB ' HG23 ' A' ' 36' ' ' VAL . 13.4 tt -121.75 138.47 51.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.755 0.312 . . . . 0.0 110.465 -178.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.532 HD12 ' HB3' ' A' ' 82' ' ' LEU . 65.7 tp -112.84 111.22 21.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.178 0.514 . . . . 0.0 110.145 179.02 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.2 m -116.21 171.21 5.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.755 -179.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' A' ' 81' ' ' GLY . . . -131.07 118.51 2.43 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.461 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -108.05 154.07 41.39 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 178.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -60.6 -64.67 0.09 OUTLIER 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.698 2.265 . . . . 0.0 112.262 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -164.79 -46.07 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -67.74 146.21 53.98 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -172.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.735 ' HE3' ' HA ' ' A' ' 49' ' ' TRP . 0.0 OUTLIER -151.68 -170.42 3.65 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.186 -178.365 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 . . . . . 0 CA--C 1.529 0.162 0 C-N-CA 121.183 -0.207 . . . . 0.0 111.087 -177.023 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 . . . . . 0 C--O 1.233 0.186 0 CA-C-O 121.368 0.604 . . . . 0.0 109.628 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 66.3 mtt85 -83.48 124.84 75.18 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.443 176.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.28 158.23 58.45 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 123.129 2.553 . . . . 0.0 112.788 -176.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.446 ' CD1' ' HE1' ' A' ' 85' ' ' PHE . 71.5 m-85 -133.0 160.99 35.54 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -175.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.674 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 34.0 mt-10 -116.16 130.92 57.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.952 179.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.404 ' HB3' HD12 ' A' ' 73' ' ' ILE . . . -119.22 127.94 53.74 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.856 0.36 . . . . 0.0 110.762 178.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.653 ' HG3' HD22 ' A' ' 23' ' ' LEU . 35.6 mtm180 -118.12 136.7 53.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.807 175.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.862 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 95.1 mt -116.38 120.08 37.7 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.961 -177.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.584 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 68.6 m-85 -86.75 90.91 8.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.394 175.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.588 ' HG ' HD21 ' A' ' 101' ' ' LEU . 10.9 mp -85.25 -29.56 24.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.398 0.618 . . . . 0.0 109.766 179.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -162.04 -172.02 28.9 Favored Glycine 0 N--CA 1.442 -0.955 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -73.86 -39.05 64.26 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.204 0.526 . . . . 0.0 109.613 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -97.75 -8.88 27.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.831 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.9 t -106.49 88.77 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.126 0.489 . . . . 0.0 110.904 -176.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 62.3 tp -104.45 111.57 24.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.57 175.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.862 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 49.1 mm -90.5 135.96 25.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.64 -177.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -119.84 144.72 47.21 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.3 ptm -155.23 127.94 8.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.484 0.659 . . . . 0.0 111.272 178.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.48 ' HB3' ' HB3' ' A' ' 89' ' ' HIS . 9.6 tp10 -78.27 123.11 26.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.378 176.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.765 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 28.0 pt -130.23 141.75 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.45 0.643 . . . . 0.0 112.454 -175.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.2 t -114.94 124.27 51.26 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 173.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 28.9 tp -66.13 106.72 1.71 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.061 0.458 . . . . 0.0 110.576 -176.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.59 -44.73 12.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.151 -175.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 60.4 p-90 -150.45 138.95 20.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.996 0.427 . . . . 0.0 111.028 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -134.12 113.15 11.75 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.906 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -136.31 133.2 36.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.052 -178.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.5 t70 66.77 -80.12 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.375 0 O-C-N 124.11 0.881 . . . . 0.0 110.626 178.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.459 ' O ' ' HA2' ' A' ' 44' ' ' GLY . . . -152.63 -1.26 0.21 Allowed Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 175.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.532 ' HB3' HD12 ' A' ' 42' ' ' LEU . 97.5 mt -98.39 123.33 42.46 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.2 mp -117.65 120.55 38.35 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.39 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -97.54 108.9 3.72 Favored Glycine 0 N--CA 1.441 -0.995 0 N-CA-C 111.291 -0.723 . . . . 0.0 111.291 177.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.765 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 92.5 m-85 -96.35 125.02 40.56 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.804 0.335 . . . . 0.0 110.439 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -82.88 120.75 26.07 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 176.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.709 ' SG ' HG13 ' A' ' 90' ' ' ILE . 8.9 t -78.23 125.73 29.78 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.243 0.544 . . . . 0.0 110.381 -173.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.472 ' HB2' ' HG3' ' A' ' 72' ' ' GLU . 37.4 mt-30 -90.14 -34.67 15.78 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.714 -176.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.48 ' HB3' ' HB3' ' A' ' 72' ' ' GLU . 74.7 t60 -143.64 110.91 5.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.699 -177.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.709 HG13 ' SG ' ' A' ' 87' ' ' CYS . 0.7 OUTLIER -110.64 107.75 23.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 174.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.499 ' O ' HG13 ' A' ' 95' ' ' ILE . 12.6 m-20 -60.79 143.5 54.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.64 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.4 mp -60.16 -40.02 88.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.07 0.462 . . . . 0.0 110.376 -178.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -64.25 -41.13 97.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.205 177.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.461 ' OG ' HG23 ' A' ' 69' ' ' ILE . 47.4 t -58.07 -49.04 78.28 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.416 175.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 91' ' ' ASP . 59.8 mt -58.97 -44.96 92.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.614 178.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.51 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 4.9 t -60.19 -50.31 74.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.846 -177.442 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.466 ' HB2' HD13 ' A' ' 69' ' ' ILE . 79.3 m-70 -64.73 -35.24 80.41 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.553 0.216 . . . . 0.0 110.914 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.408 ' O ' HG22 ' A' ' 102' ' ' VAL . 55.5 tp -61.47 -48.7 79.91 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 178.044 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 35.4 ttt85 -63.94 -29.28 70.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.704 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.545 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 35.3 mmt180 -58.03 -51.71 68.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.664 0.269 . . . . 0.0 110.371 175.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.588 HD21 ' HG ' ' A' ' 63' ' ' LEU . 48.1 tp -64.69 -42.4 95.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.703 -179.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.83 HG21 HD12 ' A' ' 112' ' ' LEU . 96.2 t -60.49 -36.38 69.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.039 0.447 . . . . 0.0 110.642 178.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -70.32 -49.59 47.9 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.925 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 72.7 mt -67.29 -34.13 76.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.082 -178.37 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -90.43 -7.95 51.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.654 -176.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 86.5 mt 60.84 39.57 16.84 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.819 -179.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -84.94 7.76 73.2 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.68 -0.691 . . . . 0.0 114.244 -172.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.4 t70 70.23 119.14 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.466 0.65 . . . . 0.0 111.855 177.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -78.3 -21.17 50.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.592 -177.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -65.77 -38.42 88.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.36 . . . . 0.0 110.973 -177.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.429 ' HB2' HD13 ' A' ' 14' ' ' ILE . 96.9 mt -57.02 -30.93 64.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.226 177.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.83 HD12 HG21 ' A' ' 102' ' ' VAL . 75.4 mt -74.79 -16.09 60.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.43 -177.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -113.84 26.11 10.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.71 0.29 . . . . 0.0 111.259 -172.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -77.8 -99.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 174.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.754 ' HA ' ' HD1' ' A' ' 39' ' ' HIS . 0.2 OUTLIER -178.84 162.31 1.3 Allowed 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 176.226 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.476 HD11 ' HA3' ' A' ' 40' ' ' GLY . 52.1 tp -62.72 -42.4 99.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.101 0.477 . . . . 0.0 109.858 177.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.32 -6.42 49.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.464 175.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 82.5 mt -108.58 4.19 23.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.952 0.406 . . . . 0.0 110.449 177.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.53 HD12 ' O ' ' A' ' 115' ' ' GLU . 1.9 mp -100.09 102.86 14.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.243 0.544 . . . . 0.0 111.051 -177.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 20.7 t -97.92 154.93 3.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 174.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.5 p -61.6 171.93 1.38 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.634 -178.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.216 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.62 -179.019 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.404 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 48.3 mm . . . . . 0 N--CA 1.447 -0.6 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 14' ' ' ILE . . . 165.99 98.38 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.793 1.237 . . . . 0.0 107.784 179.012 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -85.11 -13.62 49.68 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -166.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 t70 62.02 17.54 9.13 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 122.272 1.034 . . . . 0.0 109.714 -176.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.14 155.96 36.45 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.808 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.526 ' HB3' ' HB2' ' A' ' 62' ' ' TYR . 13.2 t70 -69.94 118.28 12.58 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 177.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 t -117.02 125.17 50.95 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.122 0.487 . . . . 0.0 110.894 -176.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -120.26 125.17 47.44 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 172.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.503 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 62.5 mt -102.5 130.77 51.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 171.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.401 HD22 ' N ' ' A' ' 23' ' ' LEU . 1.6 pt? -138.12 170.94 15.16 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 120.982 0.42 . . . . 0.0 110.866 -177.036 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.404 ' NE2' ' HB2' ' A' ' 55' ' ' ARG . 30.7 tt0 -127.09 37.93 4.18 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 175.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.4 -55.69 4.85 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 114.739 -1.119 . . . . 0.0 113.087 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -83.33 -37.86 22.83 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -173.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -133.57 142.79 48.31 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 -178.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -119.15 147.03 44.64 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 123.517 0.511 . . . . 0.0 110.833 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.557 ' HH2' ' HB2' ' A' ' 50' ' ' ASN . 14.5 m-90 -128.61 131.26 48.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.25 178.364 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -69.88 108.18 3.87 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 172.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.584 HG21 ' HB2' ' A' ' 45' ' ' GLN . 11.0 p -105.33 152.36 7.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.859 -178.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 mp -92.31 114.47 27.02 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.797 0.332 . . . . 0.0 110.497 178.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.6 tp -68.1 147.99 51.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.175 177.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.429 ' HB2' ' O ' ' A' ' 42' ' ' LEU . 87.4 m-70 -139.27 -89.56 0.2 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.243 178.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -126.83 140.5 52.31 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -174.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.507 HG23 ' HB ' ' A' ' 41' ' ' ILE . 14.1 p -141.54 159.81 21.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 116.835 -0.166 . . . . 0.0 111.234 -171.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 89.2 p -159.94 -173.78 4.25 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.583 0.23 . . . . 0.0 110.64 177.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.4 mt -93.55 14.75 17.87 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.332 0.587 . . . . 0.0 110.323 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -139.83 18.91 2.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.49 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.584 ' HA3' HD11 ' A' ' 116' ' ' LEU . . . 144.72 163.84 10.25 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.328 -0.939 . . . . 0.0 112.532 177.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.507 ' HB ' HG23 ' A' ' 36' ' ' VAL . 9.4 tt -140.37 136.07 36.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -179.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.511 HD13 ' HB3' ' A' ' 82' ' ' LEU . 49.9 tp -115.0 113.37 24.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.035 0.445 . . . . 0.0 110.259 -178.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.0 m -127.58 175.93 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.03 -179.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -124.95 125.35 5.66 Favored Glycine 0 N--CA 1.449 -0.433 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.705 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.584 ' HB2' HG21 ' A' ' 31' ' ' VAL . 24.7 tt0 -140.06 118.74 8.61 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-O 120.57 0.224 . . . . 0.0 110.769 -177.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -86.49 6.61 5.33 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.896 2.397 . . . . 0.0 112.592 177.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.522 ' H ' ' HG2' ' A' ' 45' ' ' GLN . 49.0 mt-30 -104.03 170.39 7.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.558 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -97.98 -161.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.082 -177.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -114.53 172.15 7.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.987 0.422 . . . . 0.0 111.751 -178.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.557 ' HB2' ' HH2' ' A' ' 29' ' ' TRP . 10.4 t30 . . . . . 0 N--CA 1.463 0.202 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.575 -173.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 . . . . . 0 C--O 1.233 0.212 0 CA-C-O 121.212 0.529 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.404 ' HB2' ' NE2' ' A' ' 24' ' ' GLN . 65.6 mtp180 -91.03 147.59 36.09 Favored Pre-proline 0 N--CA 1.444 -0.741 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.829 177.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -51.72 146.69 26.65 Favored 'Trans proline' 0 C--O 1.239 0.537 0 C-N-CA 123.1 2.533 . . . . 0.0 112.844 177.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -117.88 138.24 52.25 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 173.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.503 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 2.9 mp0 -103.95 125.64 50.49 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.614 -177.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -105.73 113.99 27.89 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.7 177.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.481 ' CG ' HD12 ' A' ' 68' ' ' LEU . 40.8 ttm180 -116.06 119.09 34.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.552 -178.156 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 67.6 mt -107.73 119.1 38.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.547 -178.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.526 ' HB2' ' HB3' ' A' ' 19' ' ' ASP . 35.5 m-85 -94.08 117.39 30.04 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.511 178.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.545 HD13 HD22 ' A' ' 101' ' ' LEU . 71.0 mt -101.11 -19.85 15.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.698 0.761 . . . . 0.0 109.043 170.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -166.95 -158.97 11.81 Favored Glycine 0 N--CA 1.443 -0.884 0 N-CA-C 109.996 -1.241 . . . . 0.0 109.996 178.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.406 HD21 ' O ' ' A' ' 65' ' ' LEU . 4.1 tt -81.41 -35.41 30.74 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 117.638 0.719 . . . . 0.0 109.206 177.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -96.71 -45.61 6.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.26 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 32.5 t -70.9 98.12 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-O 121.248 0.547 . . . . 0.0 109.993 -177.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.481 HD12 ' CG ' ' A' ' 60' ' ' ARG . 33.9 tp -130.19 113.11 14.06 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.573 -174.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.471 HD11 ' N ' ' A' ' 69' ' ' ILE . 3.5 mp -94.27 107.94 20.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 177.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.716 ' HD3' ' H ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -115.16 127.94 55.87 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.786 -179.688 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.1 ptm -136.94 154.27 50.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.597 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.539 ' HB3' ' HB3' ' A' ' 89' ' ' HIS . 34.7 tt0 -111.66 119.62 39.29 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -176.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.516 HG23 ' HA ' ' A' ' 87' ' ' CYS . 15.7 pt -123.22 161.46 24.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.4 -171.347 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 p -122.52 126.18 47.28 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.144 175.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 57.6 tp -63.44 122.07 15.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.968 0.413 . . . . 0.0 111.246 -177.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.456 ' HB2' ' HG2' ' A' ' 86' ' ' GLU . . . -95.33 -55.04 3.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 -178.24 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 66.1 p-90 -145.86 144.65 30.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.126 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -129.82 119.78 23.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.274 178.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.1 mmt85 -125.46 103.04 7.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.332 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 65.86 -84.09 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.404 175.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -128.24 -5.34 5.18 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 121.161 -0.543 . . . . 0.0 112.334 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.511 ' HB3' HD13 ' A' ' 42' ' ' LEU . 98.8 mt -105.26 121.12 43.2 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.2 mp -119.07 128.94 54.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.659 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.96 119.13 5.81 Favored Glycine 0 N--CA 1.443 -0.891 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.428 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -106.82 138.41 43.05 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.456 ' HG2' ' HB2' ' A' ' 76' ' ' ALA . 6.0 mm-40 -82.73 127.73 33.7 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 173.081 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.768 ' HB2' HD13 ' A' ' 90' ' ' ILE . 6.8 p -71.77 102.57 2.87 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.222 178.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -86.23 -57.83 2.87 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.131 -173.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.539 ' HB3' ' HB3' ' A' ' 72' ' ' GLU . 50.5 t60 -126.24 101.37 6.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.193 0.52 . . . . 0.0 110.786 -176.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.768 HD13 ' HB2' ' A' ' 87' ' ' CYS . 1.9 mp -113.92 111.03 34.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 175.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -78.98 169.19 18.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.861 0.363 . . . . 0.0 110.559 -176.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.544 HD11 ' N ' ' A' ' 93' ' ' ASP . 1.3 pp -63.39 -32.59 74.07 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -174.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.544 ' N ' HD11 ' A' ' 92' ' ' LEU . 32.3 t70 -71.45 -35.53 70.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.238 0.542 . . . . 0.0 109.634 -178.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.5 t -67.33 -47.23 71.12 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.356 178.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 72.4 mt -60.59 -42.01 90.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.97 179.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.2 t -60.01 -52.07 66.96 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.475 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -61.92 -47.22 85.91 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.944 0.402 . . . . 0.0 110.513 178.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 47.0 tp -61.92 -56.05 23.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.975 -174.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 51.2 ttt-85 -66.14 -38.59 88.51 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.876 -0.329 . . . . 0.0 111.058 -173.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.448 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 56.1 mtt180 -68.51 -26.52 65.49 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.368 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.545 HD22 HD13 ' A' ' 63' ' ' LEU . 33.4 tp -68.27 -39.39 82.19 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 176.005 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.697 HG23 HD13 ' A' ' 112' ' ' LEU . 58.1 t -67.41 -40.11 83.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.021 173.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -62.43 -41.57 98.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.007 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 81.9 mt -62.64 -35.47 79.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.955 0.407 . . . . 0.0 111.335 178.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -93.42 2.71 56.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.103 -178.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.9 mt 55.99 38.12 29.61 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.588 0.555 . . . . 0.0 110.979 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -66.46 -27.75 73.3 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.943 -176.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.2 t70 71.35 150.55 0.1 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.217 0.607 . . . . 0.0 110.479 -176.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -87.12 -1.67 58.06 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.713 0.635 . . . . 0.0 112.713 -172.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -56.45 -43.55 79.61 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.465 0.65 . . . . 0.0 109.722 173.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 42.6 mt -62.98 -31.01 72.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.833 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.697 HD13 HG23 ' A' ' 102' ' ' VAL . 92.2 mt -94.58 1.64 55.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.972 -175.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -131.44 28.2 4.67 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -175.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.423 ' HB2' ' H ' ' A' ' 115' ' ' GLU . 25.0 mtt180 -78.44 -95.83 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 173.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.487 ' HB2' HD13 ' A' ' 118' ' ' LEU . 3.4 mm-40 -174.41 168.4 3.89 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 172.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.584 HD11 ' HA3' ' A' ' 40' ' ' GLY . 67.2 tp -64.88 -49.93 68.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 118.23 0.468 . . . . 0.0 110.094 178.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.65 -18.87 65.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.742 176.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.487 HD13 ' HB2' ' A' ' 115' ' ' GLU . 97.0 mt -95.33 1.81 54.5 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.912 0.386 . . . . 0.0 110.639 178.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.406 HD11 ' HA ' ' A' ' 119' ' ' LEU . 2.2 tp -98.07 108.62 21.37 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.186 0.517 . . . . 0.0 110.394 -176.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 30.8 m -88.02 171.99 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.754 177.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 98.0 p -100.91 171.68 7.5 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.869 0.366 . . . . 0.0 110.509 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 179.874 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 p -165.32 147.17 7.63 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.598 177.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -86.18 -57.96 2.82 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 177.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -63.61 106.91 1.04 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.877 0.846 . . . . 0.0 110.717 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -145.21 -29.52 0.44 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.502 -1.226 . . . . 0.0 109.734 -174.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -114.66 156.36 24.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.074 -177.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -77.8 -36.13 50.65 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 173.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.8 mmt85 -81.99 -178.38 6.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.535 -1.211 . . . . 0.0 109.184 173.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -104.67 127.49 52.45 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 168.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.607 ' HD3' ' H ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -56.61 144.12 33.22 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 178.51 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -51.38 108.87 0.29 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 123.71 0.632 . . . . 0.0 111.989 -173.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -95.56 22.31 7.24 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 175.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -135.72 144.07 45.69 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.194 -1.366 . . . . 0.0 107.851 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.621 ' O ' ' HA ' ' A' ' 35' ' ' ASP . 35.9 mm -85.09 89.36 2.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 C-N-CA 119.736 -0.786 . . . . 0.0 110.53 -175.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -160.7 103.94 1.37 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.243 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -107.44 161.95 14.37 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.546 -174.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -83.63 81.35 8.78 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 174.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.36 144.76 46.8 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.459 -176.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.532 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 18.7 m-20 -71.1 110.06 5.55 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 176.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.466 ' HB3' ' O ' ' A' ' 31' ' ' VAL . 22.6 t -101.12 108.23 19.86 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.253 -178.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.555 ' OE2' ' HD2' ' A' ' 28' ' ' ARG . 38.1 mt-10 -109.85 119.7 40.16 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.818 175.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.595 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 71.3 mt -101.22 111.53 31.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 170.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.465 ' H ' HD22 ' A' ' 23' ' ' LEU . 2.2 pt? -127.92 171.48 11.77 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.839 -173.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -141.28 78.81 1.66 Allowed 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 174.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.79 -84.32 0.04 OUTLIER Glycine 0 CA--C 1.521 0.411 0 CA-C-N 115.105 -0.952 . . . . 0.0 113.371 -177.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -85.97 -30.13 23.0 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 123.172 0.589 . . . . 0.0 111.938 -173.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -106.65 123.92 48.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.742 -0.208 . . . . 0.0 110.94 -171.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.555 ' HD2' ' OE2' ' A' ' 21' ' ' GLU . 8.9 ttp180 -112.92 134.88 54.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.723 -0.217 . . . . 0.0 110.966 -178.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 6.8 m-90 -129.62 108.34 10.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.192 0.52 . . . . 0.0 110.525 172.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -72.47 128.79 36.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.773 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.466 ' O ' ' HB3' ' A' ' 20' ' ' SER . 11.6 p -137.71 160.76 33.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.786 0.327 . . . . 0.0 111.198 -173.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.1 mp -96.36 129.4 43.7 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.328 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.5 tt -81.64 138.04 35.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.084 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -111.51 -42.7 3.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.642 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.621 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 13.4 t70 -165.14 139.23 4.87 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 172.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.512 HG23 ' HB ' ' A' ' 41' ' ' ILE . 7.5 p -132.72 141.7 44.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.936 0.398 . . . . 0.0 110.356 -179.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.7 p -145.48 -169.78 3.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.938 0.399 . . . . 0.0 111.344 -175.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.3 mt -84.65 -12.3 54.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.154 -174.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.47 ' HE1' HD13 ' A' ' 119' ' ' LEU . 10.5 p80 -107.96 -19.58 13.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.496 -177.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 176.49 -178.15 47.86 Favored Glycine 0 N--CA 1.443 -0.855 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.285 -175.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.512 ' HB ' HG23 ' A' ' 36' ' ' VAL . 8.5 tt -148.65 133.21 9.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 120.814 0.34 . . . . 0.0 110.218 -177.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.598 HD11 ' HB3' ' A' ' 82' ' ' LEU . 55.4 tp -108.61 114.46 28.3 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.034 0.445 . . . . 0.0 110.245 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.8 m -113.49 167.72 6.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.208 176.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -124.94 113.63 2.0 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.617 -0.801 . . . . 0.0 111.395 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.577 ' HG3' HD12 ' A' ' 83' ' ' LEU . 21.1 mt-30 -108.89 113.64 59.26 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-O 120.945 0.403 . . . . 0.0 110.695 -178.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -78.07 12.33 2.05 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 123.221 2.614 . . . . 0.0 111.461 174.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -148.62 127.34 12.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.173 -0.922 . . . . 0.0 108.791 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -89.14 133.63 34.32 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.877 0.37 . . . . 0.0 110.71 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.415 ' HH2' HG21 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -89.73 -111.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.23 179.789 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.466 ' ND2' ' HB2' ' A' ' 52' ' ' ASP . 5.3 t30 -95.06 -65.71 0.96 Allowed 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 174.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.33 63.81 0.9 Allowed Glycine 0 CA--C 1.5 -0.851 0 C-N-CA 120.053 -1.07 . . . . 0.0 110.614 176.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.588 ' OD1' ' HB2' ' A' ' 54' ' ' GLN . 15.9 t70 -133.44 109.91 12.45 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.184 -0.508 . . . . 0.0 109.803 -175.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -66.94 -9.9 26.57 Favored 'Trans proline' 0 CA--C 1.529 0.273 0 C-N-CA 123.251 2.634 . . . . 0.0 112.833 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.588 ' HB2' ' OD1' ' A' ' 52' ' ' ASP . 2.4 mp0 -84.42 -13.71 51.38 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 -97.25 110.68 55.45 Favored Pre-proline 0 N--CA 1.449 -0.509 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.843 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -69.74 143.6 51.42 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.599 2.199 . . . . 0.0 111.449 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -121.76 152.83 39.03 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.05 0.453 . . . . 0.0 111.016 -174.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.595 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 36.8 mt-10 -106.19 128.15 53.72 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.466 ' HB1' ' HG3' ' A' ' 71' ' ' MET . . . -109.41 107.92 18.26 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 177.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.456 ' HG2' HD11 ' A' ' 68' ' ' LEU . 33.7 ttm180 -109.99 115.4 29.7 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.884 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.63 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 67.6 mt -106.67 106.99 17.78 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.591 -176.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.532 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 28.2 m-85 -85.41 95.07 9.14 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 176.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 22.2 tp -78.93 -23.54 44.59 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 177.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -169.14 167.59 40.59 Favored Glycine 0 N--CA 1.436 -1.357 0 CA-C-N 113.646 -1.616 . . . . 0.0 109.335 172.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.5 mt -56.91 -41.57 78.38 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 117.63 0.715 . . . . 0.0 110.73 178.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -94.08 -8.2 40.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.48 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 32.8 t -114.46 92.99 2.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-O 121.045 0.45 . . . . 0.0 110.159 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.456 HD11 ' HG2' ' A' ' 60' ' ' ARG . 49.8 tp -109.94 122.97 48.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.277 -176.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.63 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 58.1 mt -103.53 132.56 49.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 173.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -135.17 143.65 46.59 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.761 0.315 . . . . 0.0 111.155 -175.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.466 ' HG3' ' HB1' ' A' ' 59' ' ' ALA . 17.9 ptm -158.58 128.21 5.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.225 -178.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -85.21 125.36 32.8 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.754 175.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.517 HG21 ' HA ' ' A' ' 87' ' ' CYS . 22.7 pt -132.47 172.32 16.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.732 -175.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.4 m -132.23 146.75 52.22 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.188 172.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 63.0 tp -69.41 112.77 6.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.406 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.13 -49.74 7.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.454 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 65.9 p-90 -156.0 141.24 17.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.928 0.394 . . . . 0.0 111.549 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -120.39 122.18 40.18 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 172.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -150.83 113.48 4.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.694 0.283 . . . . 0.0 111.683 -172.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 66.05 26.45 10.78 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.347 173.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.58 -11.44 68.45 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.321 -0.943 . . . . 0.0 112.132 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.598 ' HB3' HD11 ' A' ' 42' ' ' LEU . 74.8 mt -96.74 122.33 39.57 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.577 HD12 ' HG3' ' A' ' 45' ' ' GLN . 5.5 mp -115.35 114.52 25.24 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.068 0.461 . . . . 0.0 110.361 -179.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -98.9 114.88 5.15 Favored Glycine 0 N--CA 1.441 -0.984 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.215 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -99.49 152.77 19.62 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -103.73 135.09 45.94 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 176.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.517 ' HA ' HG21 ' A' ' 73' ' ' ILE . 74.8 m -76.2 132.83 40.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.946 -177.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -112.03 -53.6 2.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.508 177.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -139.31 98.25 3.47 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 -176.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 32.9 mt -97.76 124.55 50.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 172.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.41 ' O ' ' HB3' ' A' ' 94' ' ' SER . 28.9 t70 -60.99 147.24 44.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.748 0.309 . . . . 0.0 111.115 -176.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.63 -45.09 92.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.241 -177.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -69.39 -35.94 76.28 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.41 ' HB3' ' O ' ' A' ' 91' ' ' ASP . 32.4 t -57.54 -50.96 71.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.417 174.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 80.3 mt -60.01 -39.5 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-O 121.002 0.43 . . . . 0.0 110.332 176.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 53.9 m -59.02 -39.28 81.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.884 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -70.73 -47.39 59.96 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.888 0.375 . . . . 0.0 110.394 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.408 ' O ' HG22 ' A' ' 102' ' ' VAL . 57.1 tp -58.44 -53.55 57.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.379 -176.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -66.35 -36.94 84.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 -177.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.452 HH11 ' HD2' ' A' ' 100' ' ' ARG . 10.1 tpp85 -63.26 -39.24 94.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.867 177.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.2 tp -65.59 -42.05 92.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.747 0.308 . . . . 0.0 110.678 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 98' ' ' LEU . 64.3 t -63.47 -44.76 98.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.371 . . . . 0.0 110.373 177.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -59.71 -46.27 89.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.614 177.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.3 tt -57.44 -45.9 84.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.756 -177.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -80.58 -16.01 55.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.154 -177.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.56 ' HB3' HH21 ' A' ' 10' ' ' ARG . 29.5 tp 59.15 52.93 5.76 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.995 0.902 . . . . 0.0 109.203 -171.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' ' 108' ' ' ASP . . . -90.1 -0.4 77.49 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 114.948 -1.024 . . . . 0.0 112.358 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 107' ' ' GLY . 1.3 m-20 72.12 120.47 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.604 0.716 . . . . 0.0 111.507 -178.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 113' ' ' GLU . 1.5 mp0 -65.69 -8.96 23.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.277 176.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -50.58 -36.52 35.16 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.277 174.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.581 HD21 HH21 ' A' ' 114' ' ' ARG . 72.3 mt -63.33 -32.18 73.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.328 0.585 . . . . 0.0 111.07 -178.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.4 mt -79.84 -14.62 58.53 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.751 -177.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 72.4 mt-10 -102.0 12.52 36.75 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -170.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.685 ' HB2' HD12 ' A' ' 119' ' ' LEU . 14.8 mtt85 -76.23 -162.67 0.25 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.067 0.461 . . . . 0.0 109.929 175.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.418 ' O ' HD13 ' A' ' 119' ' ' LEU . 1.5 tm-20 -123.31 148.2 46.22 Favored 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 173.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 61.6 tp -53.42 -38.26 63.31 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 118.246 0.475 . . . . 0.0 112.061 -174.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.52 -16.85 64.45 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.846 0.355 . . . . 0.0 111.53 177.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 79.2 mt -89.96 -15.23 32.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.715 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.685 HD12 ' HB2' ' A' ' 114' ' ' ARG . 10.8 mp -86.42 104.79 16.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.53 0.681 . . . . 0.0 111.077 -177.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 121' ' ' SER . 15.0 t -113.55 166.38 7.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.042 -178.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.45 ' N ' HG12 ' A' ' 120' ' ' VAL . 21.1 p -69.28 171.63 8.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.76 0.314 . . . . 0.0 111.118 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -58.8 -27.27 64.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.42 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -106.36 133.64 50.74 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 173.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -121.55 137.47 54.72 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.002 0.429 . . . . 0.0 109.95 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--O 1.245 0.816 0 CA-C-O 118.661 -0.685 . . . . 0.0 110.001 -177.963 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.0 mtp . . . . . 0 N--CA 1.482 1.175 0 CA-C-O 120.846 0.355 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 p -89.51 17.81 5.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.465 0.65 . . . . 0.0 110.089 174.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -69.1 118.75 12.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.131 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -76.05 -61.4 1.95 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.918 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -137.94 89.46 2.4 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 174.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -80.03 114.17 18.74 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.949 -177.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.37 -8.32 56.75 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.422 176.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 68.0 123.8 0.03 OUTLIER 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.737 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -62.1 124.08 19.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.117 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 58.6 mtt180 -93.54 168.55 10.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.993 -175.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -87.39 129.96 34.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.296 -178.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -72.19 120.62 18.05 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.108 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -65.28 168.48 6.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.24 175.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.487 ' O ' HG21 ' A' ' 14' ' ' ILE . 17.8 tt -77.46 89.44 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-O 122.823 1.297 . . . . 0.0 109.73 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.9 101.48 4.31 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.3 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -76.8 167.13 22.36 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.064 -178.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -80.19 46.71 0.84 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 171.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -97.13 144.22 27.19 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.623 -1.172 . . . . 0.0 110.522 -173.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.533 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 20.9 m-20 -91.45 118.37 30.5 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 175.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.5 t -107.31 115.15 29.65 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.502 -176.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.767 ' HG2' ' HG3' ' A' ' 30' ' ' GLU . 56.2 mt-10 -106.21 129.58 54.23 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.224 176.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.431 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 76.9 mt -96.81 115.4 36.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 173.033 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.51 ' HB2' ' HB2' ' A' ' 58' ' ' GLU . 6.9 mt -101.85 135.81 42.75 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.186 -174.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -116.76 77.28 1.1 Allowed 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 171.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.36 -73.89 1.54 Allowed Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.127 -177.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -119.34 -36.03 3.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.811 0.339 . . . . 0.0 111.423 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.401 ' HD3' ' CZ2' ' A' ' 29' ' ' TRP . 51.6 ttt180 -90.12 130.34 36.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.64 -172.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.0 ptt85 -112.35 140.35 47.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.664 -177.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.401 ' CZ2' ' HD3' ' A' ' 27' ' ' ARG . 16.8 m-90 -124.89 111.05 15.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.305 174.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.767 ' HG3' ' HG2' ' A' ' 21' ' ' GLU . 4.1 mp0 -67.36 121.07 14.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.117 0.484 . . . . 0.0 110.342 174.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.6 p -116.61 161.69 15.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.249 -175.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 mp -90.5 118.83 30.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.709 0.29 . . . . 0.0 110.701 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.466 HD12 ' HB ' ' A' ' 36' ' ' VAL . 65.8 tp -71.04 146.21 49.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.403 176.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -128.88 -44.12 1.33 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.718 176.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.429 ' CG ' HH22 ' A' ' 114' ' ' ARG . 10.1 t70 -153.13 138.66 17.72 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 177.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.466 ' HB ' HD12 ' A' ' 33' ' ' LEU . 8.7 p -137.85 140.69 40.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.639 ' HG ' ' HA ' ' A' ' 112' ' ' LEU . 5.6 t -151.41 -169.82 3.48 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 120.424 -0.51 . . . . 0.0 111.342 -174.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.9 tp -90.28 10.89 23.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.946 0.879 . . . . 0.0 110.657 -171.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -138.88 19.13 2.65 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.606 -176.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.88 -163.88 25.84 Favored Glycine 0 N--CA 1.442 -0.964 0 C-N-CA 120.233 -0.984 . . . . 0.0 112.805 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.0 tt -157.58 139.2 5.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 120.617 0.246 . . . . 0.0 110.403 -174.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.689 HD11 ' HB3' ' A' ' 82' ' ' LEU . 39.5 tp -115.05 118.22 32.78 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.519 -178.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 33' ' ' LEU . 30.5 m -127.23 169.98 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.794 0.33 . . . . 0.0 111.243 -178.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -113.9 107.12 1.84 Allowed Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 176.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.63 ' HB3' HD11 ' A' ' 83' ' ' LEU . 24.5 tp60 -123.53 111.66 29.69 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 120.646 0.26 . . . . 0.0 111.344 -172.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.4 ' HD2' HE21 ' A' ' 45' ' ' GLN . 3.1 Cg_exo -77.59 47.42 2.29 Favored 'Trans proline' 0 CA--C 1.532 0.402 0 C-N-CA 123.402 2.735 . . . . 0.0 112.009 175.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.413 ' C ' ' H ' ' A' ' 49' ' ' TRP . 0.1 OUTLIER -135.56 128.39 31.16 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -176.628 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' ' 49' ' ' TRP . 44.3 m-20 -77.35 19.22 0.35 Allowed 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.814 -176.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.535 ' CZ2' HD13 ' A' ' 83' ' ' LEU . 37.5 m95 70.48 145.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 123.433 0.693 . . . . 0.0 111.406 -176.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -67.3 -26.68 66.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.491 -175.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.84 -79.09 0.06 OUTLIER Glycine 0 N--CA 1.442 -0.902 0 C-N-CA 120.158 -1.02 . . . . 0.0 112.179 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.634 ' OD2' ' HG3' ' A' ' 54' ' ' GLN . 1.4 p30 -153.08 155.87 32.28 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 -175.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -85.54 41.19 0.86 Allowed 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 123.068 2.512 . . . . 0.0 113.881 -175.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.634 ' HG3' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -127.31 3.89 6.33 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-O 122.632 1.206 . . . . 0.0 108.087 176.027 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.9 ttm105 -100.19 137.34 20.02 Favored Pre-proline 0 N--CA 1.434 -1.233 0 CA-C-N 113.112 -1.858 . . . . 0.0 110.17 -170.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.94 132.02 49.49 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.873 2.382 . . . . 0.0 112.378 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -116.03 152.28 33.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.599 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.51 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 39.9 mt-10 -116.92 135.97 53.31 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 121.193 -0.203 . . . . 0.0 110.724 -177.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -117.55 125.26 50.52 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.705 0.288 . . . . 0.0 110.628 178.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -124.15 112.7 17.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.919 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.71 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 64.7 mt -103.76 126.68 51.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.704 -175.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.533 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 67.0 m-85 -100.96 111.8 24.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.899 176.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -104.45 -26.0 12.58 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.247 0.546 . . . . 0.0 109.655 173.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -174.82 -168.25 35.23 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.3 mt -77.62 -30.47 52.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.102 0.477 . . . . 0.0 110.276 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -94.01 -32.01 14.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.215 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.9 t -94.61 92.21 3.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.204 -175.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.3 tp -116.46 119.71 36.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.45 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.71 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 66.7 mt -104.88 133.04 50.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.859 -177.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -129.11 142.08 51.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.17 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.409 ' HB3' HG22 ' A' ' 90' ' ' ILE . 21.4 ptm -154.71 134.52 12.89 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 120.809 0.337 . . . . 0.0 111.451 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -83.55 126.51 32.88 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.702 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 14.0 pt -136.61 148.1 27.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.334 0.588 . . . . 0.0 112.325 -174.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 54.7 p -121.22 130.56 53.75 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 172.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.4 tp -64.25 115.83 5.41 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.576 -178.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -118.95 -6.3 10.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.167 0.508 . . . . 0.0 110.398 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.739 ' HB2' HD22 ' A' ' 116' ' ' LEU . 0.3 OUTLIER -133.87 145.63 49.84 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-O 121.811 0.815 . . . . 0.0 109.579 -176.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -162.48 103.88 1.08 Allowed 'General case' 0 C--N 1.293 -1.867 0 CA-C-N 114.038 -1.437 . . . . 0.0 110.225 -177.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.621 ' HB2' ' CZ3' ' A' ' 77' ' ' TRP . 6.2 mmm180 -128.12 92.2 3.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.846 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.5 t70 65.95 -84.89 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.82 177.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -122.65 -5.49 8.38 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.85 -0.691 . . . . 0.0 111.652 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.791 ' HG ' ' HB3' ' A' ' 121' ' ' SER . 4.4 mm? -95.97 115.98 28.25 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.63 HD11 ' HB3' ' A' ' 45' ' ' GLN . 51.5 mt -109.25 128.62 55.21 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.522 -176.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.493 ' HA3' ' HB3' ' A' ' 77' ' ' TRP . . . -114.48 125.87 7.02 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.871 -177.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.702 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 55.9 m-85 -104.33 145.18 30.62 Favored 'General case' 0 C--N 1.314 -0.969 0 O-C-N 122.607 -0.349 . . . . 0.0 110.423 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -94.47 126.23 39.61 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 173.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.519 ' HA ' HG23 ' A' ' 73' ' ' ILE . 24.6 p -75.23 114.08 13.33 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.102 0.477 . . . . 0.0 110.737 -178.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -81.05 -37.42 29.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.475 177.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -160.66 119.33 2.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.681 176.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.409 HG22 ' HB3' ' A' ' 71' ' ' MET . 32.2 mt -102.78 132.9 47.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 172.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.484 ' O ' HG13 ' A' ' 95' ' ' ILE . 14.1 t70 -57.0 128.89 39.23 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 178.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.624 HD12 HD13 ' A' ' 95' ' ' ILE . 4.4 mm? -60.81 -35.93 77.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.056 -173.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -69.12 -41.37 77.48 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 178.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.507 ' HB3' HG21 ' A' ' 69' ' ' ILE . 20.9 m -60.81 -41.6 95.99 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.791 176.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.624 HD13 HD12 ' A' ' 92' ' ' LEU . 71.5 mt -58.83 -44.04 89.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 120.911 0.386 . . . . 0.0 110.596 176.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.3 t -58.82 -47.89 83.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.398 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -64.84 -38.97 92.77 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 110.562 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.509 ' O ' HG21 ' A' ' 102' ' ' VAL . 61.8 tp -59.08 -58.68 7.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.902 -179.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.449 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 77.4 ttt180 -67.0 -34.56 78.0 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.761 -176.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.441 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 12.7 tpp180 -62.32 -39.02 91.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.8 0.333 . . . . 0.0 110.5 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.4 tp -68.41 -34.92 76.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.161 177.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.509 HG21 ' O ' ' A' ' 98' ' ' LEU . 57.3 t -65.6 -43.42 94.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.134 176.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 99' ' ' ARG . 7.2 mm-40 -56.61 -46.59 80.81 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.599 176.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 95.1 mt -59.35 -34.27 72.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.482 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -94.13 5.07 52.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.648 -176.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.46 HD11 ' HA ' ' A' ' 106' ' ' LEU . 3.6 mm? 57.99 33.07 22.79 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.06 0.457 . . . . 0.0 111.269 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -76.49 106.02 2.1 Favored Glycine 0 N--CA 1.437 -1.274 0 C-N-CA 120.42 -0.895 . . . . 0.0 111.288 177.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.576 ' HB3' ' HG2' ' A' ' 110' ' ' GLU . 2.6 m-20 -36.05 117.59 0.47 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.271 0.558 . . . . 0.0 111.432 172.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -72.43 1.88 7.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.981 -172.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.576 ' HG2' ' HB3' ' A' ' 108' ' ' ASP . 8.2 mm-40 -57.38 -32.47 66.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.538 0.685 . . . . 0.0 109.561 176.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.45 HD13 ' HB ' ' A' ' 14' ' ' ILE . 86.9 mt -66.16 -23.34 66.45 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.094 -177.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.639 ' HA ' ' HG ' ' A' ' 37' ' ' SER . 97.5 mt -89.55 -20.11 24.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.753 -175.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -108.18 20.39 18.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.891 0.377 . . . . 0.0 111.445 -172.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.442 ' NE ' ' HA ' ' A' ' 111' ' ' LEU . 80.6 mtm180 -84.98 -169.42 2.64 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.539 ' O ' HD12 ' A' ' 119' ' ' LEU . 0.4 OUTLIER -115.6 154.82 28.75 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 172.642 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.739 HD22 ' HB2' ' A' ' 77' ' ' TRP . 25.3 tp -55.66 -34.77 65.29 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.11 0.413 . . . . 0.0 110.802 177.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.05 -18.91 62.16 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 111.836 175.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 90.4 mt -99.65 -4.34 31.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.853 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.539 HD12 ' O ' ' A' ' 115' ' ' GLU . 8.8 mp -95.07 88.24 5.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.509 0.671 . . . . 0.0 110.058 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.449 HG11 ' N ' ' A' ' 121' ' ' SER . 11.5 t -93.86 168.06 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.409 -179.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.791 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 2.4 p -61.4 171.96 1.28 Allowed 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 122.892 0.477 . . . . 0.0 111.41 178.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -48.48 -38.72 20.82 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.144 0.497 . . . . 0.0 110.955 -177.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -124.14 154.86 39.42 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 168.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -94.98 -33.66 12.66 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 172.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 33.6 t70 . . . . . 0 C--O 1.251 1.161 0 CA-C-N 114.721 -1.127 . . . . 0.0 109.699 176.271 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.478 0.938 0 CA-C-O 120.928 0.395 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 t -97.13 80.51 2.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.625 0.726 . . . . 0.0 109.993 176.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -105.2 9.62 34.02 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.06 176.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -54.97 128.22 32.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.301 -175.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -120.62 -8.73 9.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.716 -175.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -83.77 89.97 7.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.281 0.562 . . . . 0.0 109.894 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.36 -42.73 12.65 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.545 174.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.435 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 38.9 ttm180 50.52 88.66 0.02 OUTLIER 'General case' 0 C--O 1.231 0.102 0 O-C-N 124.038 0.836 . . . . 0.0 110.547 178.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -70.84 -19.54 62.64 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.525 -172.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.435 ' HD2' ' O ' ' A' ' 8' ' ' ARG . 8.6 mpt_? 67.31 164.98 0.22 Allowed 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.636 0.731 . . . . 0.0 111.565 -177.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -102.92 105.15 15.45 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 168.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -78.21 -94.16 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.05 -170.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.57 ' HD3' ' HA ' ' A' ' 122' ' ' ALA . 77.3 mtp85 -149.15 -155.28 0.62 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 -173.022 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.636 HG21 HG13 ' A' ' 36' ' ' VAL . 34.0 mm -65.85 94.86 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.33 0.586 . . . . 0.0 111.141 -178.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -152.82 103.49 2.77 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.684 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -121.16 166.82 13.4 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.375 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -79.09 82.85 5.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.334 0.587 . . . . 0.0 111.366 -176.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.25 138.1 43.21 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.372 174.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.572 ' O ' ' HD2' ' A' ' 62' ' ' TYR . 37.0 t70 -73.65 114.53 12.02 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 p -107.82 113.58 26.91 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.288 0.566 . . . . 0.0 112.074 -174.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -119.7 131.33 55.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.349 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.448 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 72.2 mt -104.03 107.65 22.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 172.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.62 ' H ' HD22 ' A' ' 23' ' ' LEU . 2.0 pt? -112.41 152.14 29.01 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.253 0.549 . . . . 0.0 110.627 -177.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.558 ' OE1' ' HD3' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -125.83 17.19 8.0 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.701 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.76 -43.02 2.73 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.608 -174.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.597 ' HG3' ' ND2' ' A' ' 50' ' ' ASN . 2.3 mm-40 -61.81 -40.87 96.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.303 0.573 . . . . 0.0 110.154 176.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.1 ttt-85 -162.74 161.11 26.15 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.003 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.2 ptt180 -114.48 118.02 32.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 173.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 27.6 m-90 -97.03 123.33 40.73 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.892 -178.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -70.57 116.17 10.58 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 174.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -119.81 159.08 21.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -177.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 mp -103.97 131.34 51.3 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.464 178.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.489 HD13 ' HB ' ' A' ' 36' ' ' VAL . 64.0 tp -68.75 138.35 54.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.47 177.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.886 ' HB3' ' HG ' ' A' ' 121' ' ' SER . 31.9 m-70 -130.99 -37.27 1.29 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.598 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.489 ' HA ' ' HB ' ' A' ' 14' ' ' ILE . 56.3 t0 -170.15 111.2 0.42 Allowed 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.636 HG13 HG21 ' A' ' 14' ' ' ILE . 7.7 p -113.74 156.32 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 O-C-N 122.108 -0.37 . . . . 0.0 110.507 -177.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.603 ' HG ' ' HA ' ' A' ' 112' ' ' LEU . 3.3 t -157.05 -178.89 7.7 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 -177.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.463 ' HG ' ' HB3' ' A' ' 112' ' ' LEU . 92.1 mt -82.03 -2.46 51.78 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.266 0.555 . . . . 0.0 111.449 -176.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.692 ' HA ' ' SG ' ' A' ' 87' ' ' CYS . 13.5 p80 -121.03 21.41 11.32 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.242 -177.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.421 ' HA3' ' O ' ' A' ' 85' ' ' PHE . . . 132.78 -159.57 23.52 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 119.916 -1.135 . . . . 0.0 112.339 178.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.525 HG12 HG12 ' A' ' 43' ' ' VAL . 15.9 tt -158.6 140.36 5.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.142 0.496 . . . . 0.0 111.183 -173.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.477 HD12 ' HB3' ' A' ' 82' ' ' LEU . 58.8 tp -111.39 114.27 27.3 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.293 175.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.525 HG12 HG12 ' A' ' 41' ' ' ILE . 14.4 m -126.57 170.35 16.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.519 -176.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' A' ' 81' ' ' GLY . . . -111.55 103.8 1.6 Allowed Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 176.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.47 106.98 58.12 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -176.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -71.47 -30.18 15.54 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.948 2.432 . . . . 0.0 113.122 -176.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -90.65 175.61 6.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.209 0.528 . . . . 0.0 111.237 -174.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -98.55 163.82 12.51 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.97 177.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -88.58 176.12 7.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.191 0.52 . . . . 0.0 111.521 -174.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.597 ' ND2' ' HG3' ' A' ' 26' ' ' GLU . 23.4 p-10 -86.5 -44.16 12.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.088 -175.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.08 -86.2 0.12 Allowed Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.072 -1.061 . . . . 0.0 112.883 -178.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -130.84 154.89 82.02 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-O 120.631 0.253 . . . . 0.0 110.963 -172.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -79.37 10.97 2.81 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.008 2.472 . . . . 0.0 113.475 -177.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -111.15 16.08 21.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.631 0.729 . . . . 0.0 110.265 178.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.558 ' HD3' ' OE1' ' A' ' 24' ' ' GLN . 45.9 mtt180 -87.57 139.06 31.52 Favored Pre-proline 0 N--CA 1.444 -0.757 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.178 171.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -58.98 107.36 0.34 Allowed 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.387 2.058 . . . . 0.0 111.954 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -95.52 135.36 37.28 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.448 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 44.8 mt-10 -113.12 119.42 37.76 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.791 0.329 . . . . 0.0 110.584 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.8 107.3 19.75 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.8 177.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -96.91 111.63 23.75 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.446 177.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.846 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 75.9 mt -99.96 99.92 10.74 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 175.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.572 ' HD2' ' O ' ' A' ' 19' ' ' ASP . 40.1 m-85 -79.73 94.63 5.78 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.1 tp -88.97 -29.99 19.12 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -155.36 -176.38 27.47 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.994 177.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.96 -45.58 81.22 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.0 0.4 . . . . 0.0 110.372 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.95 5.55 28.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.145 0.498 . . . . 0.0 110.633 177.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.0 t -105.77 84.25 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.1 tp -110.73 117.47 33.53 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.126 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.846 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 55.2 mt -94.24 92.34 3.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 175.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.537 ' O ' ' HD3' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -105.36 123.51 47.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.608 0.718 . . . . 0.0 110.301 -178.263 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.0 ptm -127.67 121.18 29.73 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.767 -177.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -78.27 119.09 21.14 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 176.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.508 HG23 ' HA ' ' A' ' 87' ' ' CYS . 11.6 pt -133.72 161.19 41.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.234 0.54 . . . . 0.0 112.057 -172.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.415 ' HB2' ' OE1' ' A' ' 88' ' ' GLN . 34.1 t -119.38 139.05 52.62 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.007 173.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.6 tp -77.38 114.6 16.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.991 0.424 . . . . 0.0 110.361 -177.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.89 -49.97 6.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.24 -176.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -149.95 151.28 33.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.27 0.557 . . . . 0.0 111.769 -177.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -132.47 114.98 14.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.023 176.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -122.58 118.25 27.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.707 -0.224 . . . . 0.0 110.528 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.6 t70 61.54 -86.44 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.902 0.751 . . . . 0.0 111.093 -178.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.44 ' O ' ' HA2' ' A' ' 44' ' ' GLY . . . -137.27 2.66 3.22 Favored Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 177.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.477 ' HB3' HD12 ' A' ' 42' ' ' LEU . 80.2 mt -103.81 118.8 37.55 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.6 mp -114.09 127.97 56.17 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.705 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.31 124.72 7.88 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.126 -178.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.476 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 49.4 m-85 -109.72 143.35 39.64 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -98.56 142.25 30.38 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 175.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.692 ' SG ' ' HA ' ' A' ' 39' ' ' HIS . 28.4 p -80.1 137.97 36.86 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.499 0.666 . . . . 0.0 111.568 -172.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.415 ' OE1' ' HB2' ' A' ' 74' ' ' SER . 24.2 mt-30 -112.25 -41.15 3.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.031 175.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -154.33 98.45 2.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.908 0.385 . . . . 0.0 111.195 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 51.9 mt -93.55 112.32 26.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 167.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -65.47 148.23 52.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.64 -172.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 39.3 tp -56.63 -34.68 67.52 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.915 0.388 . . . . 0.0 110.536 -177.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -57.67 -55.05 39.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.02 174.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.6 m -63.58 -37.02 85.74 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.947 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 72.6 mt -60.21 -46.61 94.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.601 175.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 90.5 p -63.87 -36.93 85.53 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.467 -178.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 -66.41 -51.05 60.98 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.842 0.353 . . . . 0.0 110.303 177.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.6 tp -63.57 -46.99 83.37 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.476 -175.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -57.82 -55.7 31.53 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.777 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 26.2 mtm180 -60.94 -33.9 73.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.999 -176.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 63.4 tp -60.82 -55.22 35.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.866 0.365 . . . . 0.0 110.983 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 61.4 t -69.31 -41.09 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.054 0.454 . . . . 0.0 110.875 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -68.61 -33.91 74.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.439 -175.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 72.0 mt -78.14 -12.53 60.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.69 0.281 . . . . 0.0 111.394 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -100.11 -10.65 21.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.868 177.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 82.5 mt 59.73 39.18 21.22 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.087 175.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -100.06 42.9 1.87 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.676 -177.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 68.16 115.19 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.567 0.698 . . . . 0.0 112.408 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -19.11 62.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.044 175.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' A' ' 114' ' ' ARG . 46.6 mt-10 -59.92 -25.52 65.21 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.994 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.456 ' HA ' ' NE ' ' A' ' 114' ' ' ARG . 84.2 mt -65.12 -20.61 66.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.042 0.449 . . . . 0.0 110.638 178.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.603 ' HA ' ' HG ' ' A' ' 37' ' ' SER . 89.5 mt -95.95 -10.21 29.25 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.783 0.325 . . . . 0.0 110.557 176.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -110.19 20.22 18.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.592 -172.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 110' ' ' GLU . 70.2 mtm180 -90.75 -165.12 1.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.767 0.317 . . . . 0.0 110.488 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.46 ' O ' HD13 ' A' ' 119' ' ' LEU . 8.3 tp10 -123.54 149.03 45.74 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 174.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 61.7 tp -51.57 -40.28 59.46 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 118.119 0.418 . . . . 0.0 111.429 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.76 -28.2 65.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.87 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.444 ' HG ' ' HB3' ' A' ' 115' ' ' GLU . 71.8 mt -85.99 -18.16 33.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.21 -177.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 115' ' ' GLU . 8.2 mp -77.22 110.9 12.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.504 0.668 . . . . 0.0 111.882 -173.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 22.0 t -106.54 161.64 5.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.236 172.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.886 ' HG ' ' HB3' ' A' ' 34' ' ' HIS . 20.7 t -87.03 165.5 15.77 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.756 0.312 . . . . 0.0 111.143 -171.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.57 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . . . -56.77 -31.09 64.28 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 168.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -75.91 85.23 2.85 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 165.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -85.14 106.94 16.97 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 177.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.576 -0.726 . . . . 0.0 110.454 -172.315 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.6 m -86.19 121.7 29.15 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 171.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -78.71 83.55 4.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.605 0.716 . . . . 0.0 111.849 -171.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -119.86 103.17 9.12 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.741 -1.118 . . . . 0.0 108.354 172.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 39.1 p-80 -64.75 158.52 24.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.734 -174.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -62.02 134.67 56.92 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.34 -142.65 0.29 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -165.211 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -89.86 0.99 56.71 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -163.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -85.03 111.87 20.11 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 174.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -73.48 -3.63 28.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.948 0.404 . . . . 0.0 111.063 -177.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -83.56 7.11 18.22 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.365 -177.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.583 ' HD2' ' HG2' ' A' ' 13' ' ' ARG . 9.4 p-80 -75.03 149.68 39.15 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.193 178.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.642 HH21 ' HB3' ' A' ' 124' ' ' ASP . 68.1 mmt-85 68.26 100.7 0.05 Allowed 'General case' 0 N--CA 1.471 0.591 0 O-C-N 123.866 0.729 . . . . 0.0 109.499 -173.105 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.4 pt -87.21 89.49 3.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.546 0.689 . . . . 0.0 111.132 -178.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.48 79.07 1.88 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.375 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -71.11 140.94 50.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.666 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -80.96 90.83 5.97 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.446 -176.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 62' ' ' TYR . . . -135.51 163.25 30.52 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.87 177.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.536 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 5.2 m-20 -62.77 111.09 1.96 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 176.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.6 m -112.41 96.36 5.96 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.781 0.324 . . . . 0.0 110.269 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -102.66 129.7 49.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.514 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.532 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 1.9 mp -96.57 104.76 16.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 167.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.5 mt -95.09 132.29 40.15 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.327 -174.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -120.91 90.33 3.3 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 171.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.72 -73.4 1.21 Allowed Glycine 0 N--CA 1.445 -0.733 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.527 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -137.64 -14.89 1.42 Allowed 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -173.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.6 ttt180 -95.88 144.68 26.01 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.572 -175.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -99.76 140.15 34.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.393 -175.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 14.1 m-90 -127.67 92.43 3.48 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 165.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -83.93 112.26 19.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.984 0.421 . . . . 0.0 110.283 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.419 HG22 ' N ' ' A' ' 32' ' ' LEU . 9.7 p -125.12 161.22 29.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.133 -173.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.419 ' N ' HG22 ' A' ' 31' ' ' VAL . 5.7 mp -85.37 135.98 33.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.635 174.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.9 tp -70.31 144.32 51.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.974 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.582 ' HB2' ' O ' ' A' ' 42' ' ' LEU . 8.9 m170 -114.78 -54.62 2.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.348 176.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -162.13 135.25 6.09 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.6 p -127.78 142.16 44.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 55.9 p -149.68 -168.78 3.2 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 121.328 0.585 . . . . 0.0 112.371 -172.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 40.3 tp -85.98 1.29 50.74 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.001 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.539 ' HA ' ' SG ' ' A' ' 87' ' ' CYS . 1.8 p80 -127.96 13.75 6.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.87 -176.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.461 ' HA3' ' O ' ' A' ' 85' ' ' PHE . . . 133.72 -147.49 19.06 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 120.259 -0.972 . . . . 0.0 112.275 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.0 tt -161.28 146.91 4.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.849 0.357 . . . . 0.0 110.692 -172.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.582 ' O ' ' HB2' ' A' ' 34' ' ' HIS . 51.4 tp -114.05 126.5 55.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.768 176.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.8 m -125.71 179.35 3.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.801 0.334 . . . . 0.0 110.558 178.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -142.12 91.83 0.18 Allowed Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -95.4 126.97 43.84 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.944 0.402 . . . . 0.0 111.807 -173.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -78.74 -10.9 15.55 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 123.004 2.47 . . . . 0.0 111.548 174.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -107.7 135.86 48.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.871 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -71.22 172.18 9.75 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.396 0.617 . . . . 0.0 111.39 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.484 ' CZ2' HD13 ' A' ' 83' ' ' LEU . 45.6 m95 -78.03 178.1 7.77 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -170.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.53 -40.29 94.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.636 -1.166 . . . . 0.0 111.627 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 169.74 -59.15 0.19 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.68 -0.771 . . . . 0.0 111.747 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -135.83 151.32 73.86 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 178.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -81.37 28.68 0.55 Allowed 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.838 2.359 . . . . 0.0 113.297 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -97.3 -20.63 17.73 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 178.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.41 122.62 87.04 Favored Pre-proline 0 N--CA 1.44 -0.967 0 CA-C-N 113.425 -1.716 . . . . 0.0 110.274 174.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.67 140.47 62.28 Favored 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.554 2.169 . . . . 0.0 112.022 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -110.06 145.59 36.83 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.532 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 33.1 tt0 -118.68 123.59 45.28 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 174.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.7 106.73 19.07 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 174.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.8 ttt85 -104.54 112.56 25.68 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.562 -175.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.6 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 77.2 mt -99.84 120.57 39.96 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.527 -176.279 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.536 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 9.8 m-85 -92.68 98.53 11.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.101 -178.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -95.08 -1.36 52.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.384 0.611 . . . . 0.0 109.503 175.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.88 -174.15 46.84 Favored Glycine 0 N--CA 1.441 -1.004 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.924 177.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -75.29 -38.66 60.24 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -94.55 -22.33 18.29 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.998 -176.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 55.2 t -99.96 104.86 16.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.57 -174.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -116.96 126.78 53.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.355 174.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.6 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 59.0 mt -99.38 104.03 15.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 172.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -104.28 136.22 44.28 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.142 0.496 . . . . 0.0 110.208 -178.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.7 ptp -134.13 112.06 10.82 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.138 173.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.479 ' HB3' ' HB3' ' A' ' 89' ' ' HIS . 10.6 tt0 -76.39 109.46 10.12 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 175.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.659 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 3.3 pt -123.68 151.28 28.32 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-O 121.498 0.666 . . . . 0.0 112.393 -166.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.3 m -108.55 120.4 42.33 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.695 176.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.7 tp -73.53 105.64 4.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.954 0.407 . . . . 0.0 110.328 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -112.11 -2.68 14.92 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.25 0.548 . . . . 0.0 109.724 175.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -123.05 141.97 51.38 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-O 122.248 1.023 . . . . 0.0 110.101 -177.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -162.27 107.35 1.21 Allowed 'General case' 0 C--N 1.286 -2.154 0 CA-C-N 113.25 -1.796 . . . . 0.0 110.039 -177.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -126.18 81.12 1.97 Allowed 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.067 -175.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.2 t70 62.51 -81.34 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.729 0.643 . . . . 0.0 111.796 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -119.19 -12.75 6.75 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.085 -0.578 . . . . 0.0 111.855 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 98.5 mt -89.48 115.04 26.61 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.484 HD13 ' CZ2' ' A' ' 49' ' ' TRP . 45.4 mt -107.81 126.13 52.26 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.416 -175.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -119.26 137.02 12.3 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.352 -176.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.659 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 29.6 m-85 -118.63 143.85 46.54 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 122.771 -0.252 . . . . 0.0 110.521 -178.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -94.91 142.67 27.2 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 171.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.539 ' SG ' ' HA ' ' A' ' 39' ' ' HIS . 9.0 p -72.61 114.75 11.08 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.244 0.545 . . . . 0.0 111.003 -177.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.409 ' HB3' ' O ' ' A' ' 72' ' ' GLU . 9.9 tt0 -96.44 -43.33 7.68 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.027 178.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.479 ' HB3' ' HB3' ' A' ' 72' ' ' GLU . 2.4 t-160 -150.0 98.97 2.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.944 176.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 46.5 mt -102.43 114.68 42.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 169.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -63.76 145.13 56.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.964 -176.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.7 mt -55.68 -37.64 68.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.788 -176.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -56.41 -52.4 64.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.626 175.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.514 ' HB3' HG21 ' A' ' 69' ' ' ILE . 60.0 m -63.9 -34.22 77.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.059 -178.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 72.5 mt -63.02 -44.38 99.59 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.087 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 175.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.1 m -62.52 -38.03 88.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.053 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -67.97 -44.65 76.22 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 177.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.79 -46.03 91.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.229 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -53.21 -48.99 67.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.87 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 19.3 tpp85 -68.63 -43.6 75.98 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.7 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 44.4 tp -57.45 -52.24 66.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.751 -177.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 95.3 t -61.62 -52.55 59.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.997 0.427 . . . . 0.0 110.901 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.88 -36.79 77.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.097 -177.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 44.5 tp -68.99 -32.77 72.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.188 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -96.43 10.61 37.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.317 -178.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 23.5 tp 68.04 27.99 6.86 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.48 0.657 . . . . 0.0 110.457 176.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -68.91 104.49 1.26 Allowed Glycine 0 N--CA 1.438 -1.232 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.575 176.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -42.48 119.42 1.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.058 0.456 . . . . 0.0 110.728 172.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.43 -22.21 66.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.435 -170.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 114' ' ' ARG . 92.4 mt-10 -65.41 -22.11 66.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.839 0.352 . . . . 0.0 110.555 -178.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 98.7 mt -63.26 -33.9 76.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.076 175.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.2 mt -79.84 -23.62 41.87 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.73 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -97.26 12.1 34.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.903 -170.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 110' ' ' GLU . 84.8 mtm180 -82.01 -169.24 2.28 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 175.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.552 ' O ' HD11 ' A' ' 119' ' ' LEU . 0.4 OUTLIER -111.42 156.76 21.13 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 173.36 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 22.8 tp -53.32 -38.55 63.29 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 118.321 0.51 . . . . 0.0 110.844 176.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.54 -12.55 61.42 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 120.691 0.281 . . . . 0.0 111.721 176.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.402 ' HB2' ' HB3' ' A' ' 114' ' ' ARG . 86.4 mt -102.72 -5.69 23.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.803 0.335 . . . . 0.0 110.886 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.552 HD11 ' O ' ' A' ' 115' ' ' GLU . 7.2 mp -86.4 94.66 9.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.317 0.58 . . . . 0.0 110.328 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 26.1 t -88.42 144.84 8.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.367 -178.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 59.0 p -66.42 172.01 4.42 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.378 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -46.49 -43.47 16.82 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.754 178.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -89.47 97.69 11.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.421 0.629 . . . . 0.0 110.199 175.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.642 ' HB3' HH21 ' A' ' 13' ' ' ARG . 9.0 p-10 -94.66 124.97 39.01 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.588 -178.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.0 t70 . . . . . 0 C--O 1.247 0.954 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.661 178.891 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 m -49.97 -53.75 24.4 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 123.384 0.427 . . . . 0.0 112.053 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -141.89 151.54 42.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.617 0.246 . . . . 0.0 110.486 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.554 ' NE2' ' H ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -148.95 -57.65 0.21 Allowed 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -175.421 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.554 ' H ' ' NE2' ' A' ' 4' ' ' GLN . 85.8 m-70 53.24 -122.33 2.01 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -173.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -172.21 176.09 3.52 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 174.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -70.21 -15.44 62.93 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -173.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.404 ' HD2' ' N ' ' A' ' 8' ' ' ARG . 9.2 mpt_? -87.09 67.56 9.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.056 0.455 . . . . 0.0 110.401 -177.002 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -77.84 -5.78 52.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.189 0.519 . . . . 0.0 110.668 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -137.63 126.32 23.81 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 175.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -90.52 114.51 26.73 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.025 0.44 . . . . 0.0 110.707 -177.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.543 ' O ' HD12 ' A' ' 111' ' ' LEU . 51.0 t-80 -85.35 113.49 21.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.2 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -82.73 163.5 21.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.93 0.395 . . . . 0.0 111.467 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.506 HG22 HG11 ' A' ' 102' ' ' VAL . 8.6 pt -108.48 89.63 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.832 175.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.06 106.13 11.69 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.91 0.386 . . . . 0.0 110.825 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -106.92 125.26 50.78 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.271 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -78.43 100.44 6.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.424 -176.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -133.62 165.02 25.89 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.894 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -71.55 113.11 8.24 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.3 t -115.78 111.71 20.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.879 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.434 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 28.4 mt-10 -107.8 123.17 48.16 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.744 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.508 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 68.7 mt -97.49 119.16 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 171.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.651 HD22 HH11 ' A' ' 60' ' ' ARG . 1.8 pt? -141.69 160.82 39.4 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.423 0.63 . . . . 0.0 111.791 -174.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -130.69 77.96 1.81 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.6 -1.182 . . . . 0.0 108.431 172.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.6 -88.43 0.35 Allowed Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.856 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -89.83 -30.4 17.96 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -173.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -97.85 123.98 42.05 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -174.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -136.36 131.34 34.12 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.018 0.437 . . . . 0.0 111.46 -174.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 40.8 p90 -142.63 134.2 26.57 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.648 176.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.446 ' CD ' ' H ' ' A' ' 30' ' ' GLU . 0.7 OUTLIER -87.43 151.2 23.25 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.312 0.577 . . . . 0.0 111.134 -175.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.409 HG21 ' HD3' ' A' ' 46' ' ' PRO . 14.4 p -135.17 157.37 40.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.159 -176.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.403 HD23 ' N ' ' A' ' 32' ' ' LEU . 1.5 mm? -87.49 125.67 34.45 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.9 tp -75.6 143.64 42.22 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.831 -178.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -127.49 -70.84 0.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.274 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.702 ' OD2' ' HA ' ' A' ' 121' ' ' SER . 2.4 m-20 -130.1 158.62 39.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.419 -178.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.8 p -155.87 154.48 6.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.266 -178.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.485 ' HA ' HD21 ' A' ' 112' ' ' LEU . 59.5 p -155.37 -172.26 4.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.597 0.237 . . . . 0.0 110.536 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.587 ' HG ' ' HB3' ' A' ' 112' ' ' LEU . 25.9 mt -85.2 7.64 21.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.439 0.638 . . . . 0.0 109.286 177.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -110.67 -14.2 14.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.547 -176.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.472 ' HA3' ' O ' ' A' ' 85' ' ' PHE . . . 150.84 -137.6 6.17 Favored Glycine 0 N--CA 1.44 -1.087 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.64 -176.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.7 tt -161.62 149.29 4.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 -172.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 34.5 tp -127.9 117.12 21.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.916 0.389 . . . . 0.0 110.126 -177.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.8 m -126.29 -175.03 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.031 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -158.97 154.1 25.19 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.294 -0.955 . . . . 0.0 112.242 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 52.0 tp60 109.79 -30.58 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.094 0 C-N-CA 125.181 1.392 . . . . 0.0 114.718 172.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.409 ' HD3' HG21 ' A' ' 31' ' ' VAL . 74.2 Cg_exo -52.08 110.32 0.43 Allowed 'Trans proline' 0 C--N 1.363 1.325 0 CA-C-N 122.024 1.759 . . . . 0.0 111.567 173.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -69.98 -30.44 67.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.327 -171.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -150.24 -179.17 6.98 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.597 ' CZ2' HD12 ' A' ' 83' ' ' LEU . 94.6 m95 -134.75 -79.71 0.45 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.183 0.516 . . . . 0.0 110.69 -177.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -170.96 -67.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.627 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.8 -26.49 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.464 176.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -120.15 106.77 40.43 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-O 120.946 0.403 . . . . 0.0 111.037 -178.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -67.06 -4.51 11.65 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 123.361 2.707 . . . . 0.0 113.094 176.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -83.23 -7.44 59.61 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 176.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -74.59 118.91 73.76 Favored Pre-proline 0 N--CA 1.448 -0.529 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.479 175.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.92 125.26 17.69 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.946 2.43 . . . . 0.0 112.778 -175.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -102.14 131.46 48.62 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 177.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.508 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 46.3 mt-10 -104.56 119.72 39.64 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.479 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -104.59 114.63 28.97 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 176.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.66 ' HB3' HD13 ' A' ' 68' ' ' LEU . 77.4 mtt85 -115.71 117.81 31.3 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.384 179.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.793 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 82.9 mt -99.73 107.3 19.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.119 -177.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -83.69 100.08 10.64 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.385 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.1 tp -98.02 -15.05 20.22 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.813 0.816 . . . . 0.0 109.096 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -161.75 -162.6 13.27 Favored Glycine 0 N--CA 1.442 -0.912 0 CA-C-N 114.478 -1.237 . . . . 0.0 110.171 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.6 mp -84.73 -32.67 23.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 117.241 0.521 . . . . 0.0 109.962 178.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -115.97 -11.59 11.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.457 176.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.4 t -86.88 84.38 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.374 0.606 . . . . 0.0 109.441 177.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.66 HD13 ' HB3' ' A' ' 60' ' ' ARG . 61.0 tp -115.11 118.38 33.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.522 -177.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.793 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 62.1 mt -89.43 97.56 7.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 173.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -103.18 125.48 49.89 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.271 0.557 . . . . 0.0 110.337 -176.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.5 ptm -137.67 121.86 18.03 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.532 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.494 ' HB3' ' HB3' ' A' ' 89' ' ' HIS . 35.8 tt0 -83.07 123.82 29.86 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 175.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.666 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 6.4 pt -132.55 157.05 42.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-O 121.64 0.733 . . . . 0.0 112.014 -170.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.6 t -121.98 124.92 45.16 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.144 -0.934 . . . . 0.0 108.785 176.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.7 tp -64.5 107.59 1.42 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.915 0.388 . . . . 0.0 110.467 -177.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -109.88 -4.79 15.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.422 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -129.86 149.12 51.73 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.848 -178.116 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -162.03 118.72 2.07 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-N 114.396 -1.275 . . . . 0.0 110.502 -176.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -142.89 73.43 1.4 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.033 178.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 56.46 -90.58 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.052 -179.217 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.0 -25.92 18.16 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.268 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 98.7 mt -88.2 135.0 33.64 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.597 HD12 ' CZ2' ' A' ' 49' ' ' TRP . 21.2 mt -135.51 131.82 36.54 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.67 0.271 . . . . 0.0 110.784 -174.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -122.42 139.27 12.52 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.434 -0.888 . . . . 0.0 112.269 -176.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.666 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 73.1 m-85 -118.18 144.96 45.3 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 120.795 0.331 . . . . 0.0 110.867 -177.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -93.83 130.57 39.81 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 172.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.514 ' HA ' HG21 ' A' ' 73' ' ' ILE . 27.1 p -68.85 126.89 31.18 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.754 0.312 . . . . 0.0 110.235 -179.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -112.89 -29.2 7.46 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.759 -177.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.494 ' HB3' ' HB3' ' A' ' 72' ' ' GLU . 3.6 t-160 -159.93 99.45 1.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.28 179.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 46.6 mt -106.22 132.47 53.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 176.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.432 ' O ' HG13 ' A' ' 95' ' ' ILE . 14.5 t70 -75.33 146.15 41.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.481 -178.127 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.28 -38.77 84.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.43 -176.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.36 -39.75 94.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.218 0.532 . . . . 0.0 109.874 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.508 ' HB3' HG21 ' A' ' 69' ' ' ILE . 39.4 m -66.29 -37.97 86.68 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.561 178.116 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 91' ' ' ASP . 74.2 mt -63.37 -44.49 99.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.477 177.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 100' ' ' ARG . 44.5 m -62.31 -40.2 95.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.978 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -63.62 -45.29 90.98 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 120.781 0.324 . . . . 0.0 110.428 176.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 53.3 tp -59.54 -56.99 14.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.841 -174.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -67.46 -40.48 85.34 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.278 -175.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 96' ' ' SER . 0.0 OUTLIER -61.86 -38.0 86.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.712 0.292 . . . . 0.0 110.636 177.81 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 43.3 tp -62.68 -53.77 49.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.104 177.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.506 HG11 HG22 ' A' ' 14' ' ' ILE . 65.3 t -59.74 -34.13 54.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.178 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -62.45 -52.7 62.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.879 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.9 mp -74.9 -21.8 59.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.896 0.379 . . . . 0.0 110.773 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.438 ' HB2' ' O ' ' A' ' 101' ' ' LEU . 7.1 t-20 -75.8 -19.85 58.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.456 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 63.72 40.44 7.77 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.824 -178.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -92.65 -9.59 61.18 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.74 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.5 t70 72.08 146.12 0.07 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.448 0.699 . . . . 0.0 110.794 -178.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -85.28 -4.34 59.12 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -173.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.565 ' O ' ' HG3' ' A' ' 114' ' ' ARG . 31.2 tt0 -59.97 -41.3 91.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.984 0.421 . . . . 0.0 110.408 -178.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 12' ' ' HIS . 48.2 mt -57.79 -37.76 74.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.024 -179.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.587 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . 96.6 mt -74.35 -25.06 59.29 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.517 -176.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -128.87 37.91 4.02 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.25 0.547 . . . . 0.0 111.721 -170.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.565 ' HG3' ' O ' ' A' ' 110' ' ' GLU . 73.5 mtm180 -93.14 -92.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 166.317 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -172.98 166.08 5.06 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 175.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.4 tp -68.31 -43.09 78.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 118.003 0.365 . . . . 0.0 110.075 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.65 -17.56 64.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.02 0.438 . . . . 0.0 110.707 174.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 85.8 mt -97.74 7.16 46.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.415 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.2 mp -119.82 117.87 29.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.342 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.5 t -126.87 141.42 46.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.702 ' HA ' ' OD2' ' A' ' 35' ' ' ASP . 38.9 p -61.47 169.03 2.47 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 123.524 0.515 . . . . 0.0 111.483 -175.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.51 -43.28 2.61 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 123.808 0.693 . . . . 0.0 111.949 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -86.51 85.64 7.31 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 172.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -96.1 -42.28 8.31 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 175.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 20.8 t70 . . . . . 0 C--O 1.246 0.909 0 CA-C-O 118.423 -0.799 . . . . 0.0 109.381 175.708 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 120.725 0.298 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.9 m -124.08 138.71 54.4 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 120.832 0.349 . . . . 0.0 110.984 -177.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.25 -41.31 98.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.334 176.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.837 ' HA ' HE21 ' A' ' 4' ' ' GLN . 0.0 OUTLIER 72.19 -45.92 0.63 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.054 -0.976 . . . . 0.0 111.217 -179.629 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -78.04 126.69 31.19 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 175.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -82.96 -8.44 59.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.88 0.371 . . . . 0.0 111.764 -172.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -77.42 69.56 3.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.415 0.626 . . . . 0.0 109.864 177.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -98.8 170.72 8.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.026 -177.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 54.2 -112.98 0.75 Allowed 'General case' 0 C--N 1.333 -0.14 0 O-C-N 123.412 0.445 . . . . 0.0 110.342 -171.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? 54.09 37.45 27.0 Favored 'General case' 0 C--N 1.334 -0.104 0 O-C-N 123.512 0.508 . . . . 0.0 111.201 177.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -78.23 74.69 4.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.509 0.671 . . . . 0.0 110.842 -178.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -164.09 100.06 0.86 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.804 -1.089 . . . . 0.0 108.799 177.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -76.25 -162.81 0.26 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.776 0.322 . . . . 0.0 110.991 -178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.482 HG23 HG12 ' A' ' 36' ' ' VAL . 49.6 mm -59.35 110.27 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.581 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 178.71 98.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 O-C-N 124.212 0.945 . . . . 0.0 109.38 175.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -115.35 156.24 25.87 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.05 -179.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -72.75 98.4 2.39 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.947 0.879 . . . . 0.0 110.39 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.57 150.9 49.83 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.267 175.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.52 ' HB3' ' HB2' ' A' ' 62' ' ' TYR . 9.2 t70 -87.29 130.16 34.71 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 177.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.404 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.1 p -130.92 124.58 31.43 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -172.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.549 ' OE2' ' HD3' ' A' ' 28' ' ' ARG . 47.6 mt-10 -109.05 126.36 53.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.743 172.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.596 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 1.8 mp -109.3 110.98 34.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 171.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -129.74 147.63 51.54 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.171 0.51 . . . . 0.0 112.133 -171.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.569 HE21 ' HH2' ' A' ' 29' ' ' TRP . 22.3 pt20 -117.22 100.23 7.57 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.493 172.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.98 -94.6 0.37 Allowed Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.867 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -109.88 -11.1 14.71 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -174.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 27' ' ' ARG . 8.4 tpp180 -103.47 116.44 32.4 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 -178.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.549 ' HD3' ' OE2' ' A' ' 21' ' ' GLU . 10.6 ptp180 -117.15 139.79 50.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.041 0.448 . . . . 0.0 111.648 -175.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.569 ' HH2' HE21 ' A' ' 24' ' ' GLN . 28.4 m-90 -117.38 108.01 15.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.577 175.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -71.57 105.29 3.59 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 172.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.827 HG21 ' H ' ' A' ' 32' ' ' LEU . 5.5 p -131.5 -177.77 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.131 -169.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.827 ' H ' HG21 ' A' ' 31' ' ' VAL . 95.3 mt -96.72 119.3 34.94 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -174.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.455 HD22 HD22 ' A' ' 61' ' ' LEU . 29.4 tp -72.01 146.21 47.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.125 171.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.4 ' H ' HD12 ' A' ' 33' ' ' LEU . 34.9 m-70 -133.73 -87.32 0.41 Allowed 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 119.661 -0.209 . . . . 0.0 110.807 177.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -118.51 162.89 17.6 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 -173.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.482 HG12 HG23 ' A' ' 14' ' ' ILE . 14.4 p -163.67 144.3 2.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 121.43 0.634 . . . . 0.0 111.86 -175.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.7 p -125.58 -175.99 3.48 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 173.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.7 mt -84.83 0.81 49.57 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.012 0.434 . . . . 0.0 110.66 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.651 ' ND1' ' HA ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -113.9 -18.63 11.72 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.113 0.483 . . . . 0.0 110.341 -178.752 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.74 159.15 24.05 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.353 -172.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.3 tt -122.41 144.88 30.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 -177.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.622 HD12 ' HB3' ' A' ' 82' ' ' LEU . 49.6 tp -118.74 111.59 18.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.96 0.41 . . . . 0.0 110.473 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.3 m -112.33 163.27 9.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.303 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -108.65 89.97 0.59 Allowed Glycine 0 N--CA 1.441 -0.989 0 C-N-CA 120.29 -0.957 . . . . 0.0 111.2 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -116.57 101.77 53.54 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-O 120.879 0.371 . . . . 0.0 110.844 -175.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -86.32 18.75 1.51 Allowed 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 123.053 2.502 . . . . 0.0 110.901 174.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -104.12 114.59 28.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.795 -177.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -71.19 156.15 39.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.19 0.519 . . . . 0.0 111.108 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -148.57 -167.7 2.89 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.776 177.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.534 HD22 ' HG3' ' A' ' 55' ' ' ARG . 28.1 p-10 -59.93 -37.78 80.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.782 0.325 . . . . 0.0 110.516 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.93 44.59 45.94 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.946 -0.645 . . . . 0.0 113.197 169.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.533 ' HB3' ' HG2' ' A' ' 55' ' ' ARG . 32.6 t70 -112.91 121.05 39.33 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 176.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.562 ' HA ' ' HB3' ' A' ' 75' ' ' LEU . 25.7 Cg_endo -62.4 -15.17 43.46 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.937 2.425 . . . . 0.0 112.963 -176.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -91.31 7.83 39.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.068 0.461 . . . . 0.0 110.513 -178.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.534 ' HG3' HD22 ' A' ' 50' ' ' ASN . 8.5 mmt180 -102.71 109.94 62.11 Favored Pre-proline 0 N--CA 1.449 -0.48 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.501 177.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -57.39 123.0 12.75 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 123.271 2.647 . . . . 0.0 112.503 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 40.9 m-85 -108.26 134.99 50.33 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.109 0.48 . . . . 0.0 110.033 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.596 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 39.6 mt-10 -103.97 128.43 51.51 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.351 -178.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -105.61 107.3 18.22 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 174.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.558 ' HG2' HD11 ' A' ' 68' ' ' LEU . 15.1 ttp180 -110.52 112.36 24.23 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -177.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.951 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 95.7 mt -99.91 123.71 44.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.906 -176.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.52 ' HB2' ' HB3' ' A' ' 19' ' ' ASP . 74.2 m-85 -104.46 112.76 25.95 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.989 -178.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -100.95 -14.98 17.66 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 167.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.71 179.11 46.97 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 176.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 73.4 mt -77.16 -14.78 59.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 117.95 0.875 . . . . 0.0 110.173 175.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -92.56 -50.78 5.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.374 176.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.4 t -90.05 99.75 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.426 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.558 HD11 ' HG2' ' A' ' 60' ' ' ARG . 60.2 tp -116.7 125.25 51.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.33 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.951 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 39.0 mt -100.02 131.61 47.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 175.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -137.08 120.25 16.7 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.004 0.431 . . . . 0.0 111.116 -170.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.7 ptm -145.34 128.97 17.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.026 0.441 . . . . 0.0 110.867 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.493 ' HB3' ' HB3' ' A' ' 89' ' ' HIS . 63.7 tt0 -90.57 130.12 36.64 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.626 177.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.522 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 11.5 pt -133.54 153.48 37.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.37 -173.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.42 ' HB2' ' CD ' ' A' ' 88' ' ' GLN . 32.8 t -108.19 145.62 33.97 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.445 177.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.583 ' HB2' ' CE1' ' A' ' 57' ' ' PHE . 57.8 tp -74.01 111.54 9.28 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.516 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -91.51 -53.0 4.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.772 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 56.1 p-90 -153.58 140.75 19.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.094 0.473 . . . . 0.0 111.475 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.522 ' HA ' ' HG ' ' A' ' 83' ' ' LEU . . . -118.42 100.03 7.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.784 176.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -96.64 74.59 2.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.661 -176.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 62.17 -77.91 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.564 -0.743 . . . . 0.0 112.505 178.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -110.2 -22.53 6.47 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.44 -178.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.622 ' HB3' HD12 ' A' ' 42' ' ' LEU . 79.7 mt -106.23 116.73 32.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.755 0.312 . . . . 0.0 110.564 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.522 ' HG ' ' HA ' ' A' ' 78' ' ' ALA . 8.0 mp -111.58 126.72 55.3 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.028 0.442 . . . . 0.0 111.254 -179.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.11 128.97 9.47 Favored Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.45 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.522 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 94.0 m-85 -114.02 149.05 35.98 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.959 0.409 . . . . 0.0 111.514 -176.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -87.37 124.21 33.14 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.723 175.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.506 ' HA ' HG22 ' A' ' 73' ' ' ILE . 87.5 m -78.67 120.98 24.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.881 0.372 . . . . 0.0 110.923 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.42 ' CD ' ' HB2' ' A' ' 74' ' ' SER . 35.9 mt-30 -110.63 -67.29 1.0 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.255 -175.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.493 ' HB3' ' HB3' ' A' ' 72' ' ' GLU . 83.6 t60 -116.74 101.04 8.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.568 -175.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.471 HD12 ' HB3' ' A' ' 87' ' ' CYS . 44.2 mt -109.63 132.18 58.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.785 179.022 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.515 ' O ' HG13 ' A' ' 95' ' ' ILE . 11.5 t70 -76.32 145.28 39.65 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.115 -179.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 98.2 mt -65.54 -42.35 92.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.668 -176.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -63.68 -39.72 95.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.194 0.521 . . . . 0.0 109.75 176.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.457 ' HB3' ' O ' ' A' ' 91' ' ' ASP . 30.2 t -55.57 -48.65 74.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.485 173.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 91' ' ' ASP . 73.7 mt -58.57 -44.44 89.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.566 178.141 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 47.6 t -56.36 -45.46 80.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.732 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -63.42 -49.78 72.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 110.605 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.81 -54.8 25.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.953 -173.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -68.34 -36.84 79.85 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.463 -173.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.44 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 36.5 ttp85 -70.56 -29.95 66.54 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.35 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 55.7 tp -64.53 -40.35 95.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.071 0.462 . . . . 0.0 109.972 175.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.807 HG21 HD13 ' A' ' 112' ' ' LEU . 59.2 t -64.97 -41.6 92.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.277 176.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -55.84 -50.42 70.64 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.712 174.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 96.3 mt -60.79 -30.47 70.06 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.898 -178.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -91.99 -16.58 26.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.403 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.0 mp 56.24 39.33 30.26 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.444 -176.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -90.28 27.35 8.56 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.648 -0.705 . . . . 0.0 113.305 -175.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.7 t70 70.16 131.13 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 121.293 0.568 . . . . 0.0 112.104 176.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -87.4 -18.96 28.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.603 -178.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -70.34 -19.38 63.06 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.941 -0.303 . . . . 0.0 110.238 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.786 ' HA ' ' HD2' ' A' ' 114' ' ' ARG . 76.2 mt -68.95 -23.78 64.19 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 120.861 0.362 . . . . 0.0 110.372 173.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.807 HD13 HG21 ' A' ' 102' ' ' VAL . 99.5 mt -87.43 -9.89 53.43 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.281 0.562 . . . . 0.0 109.584 174.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -122.93 29.96 6.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.351 -173.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.786 ' HD2' ' HA ' ' A' ' 111' ' ' LEU . 6.2 mtp180 -77.64 -97.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 172.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.651 ' HA ' ' ND1' ' A' ' 39' ' ' HIS . 0.0 OUTLIER 178.05 158.38 0.45 Allowed 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 172.435 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 56.1 tp -58.56 -39.29 79.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 118.238 0.472 . . . . 0.0 110.119 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -74.98 -10.63 59.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.304 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 79.2 mt -104.02 -0.48 28.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.778 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.612 HD13 ' O ' ' A' ' 115' ' ' GLU . 5.4 mp -89.73 104.48 17.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.395 0.617 . . . . 0.0 111.523 -178.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.807 HG12 ' H ' ' A' ' 121' ' ' SER . 2.7 t -95.48 -168.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 173.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.807 ' H ' HG12 ' A' ' 120' ' ' VAL . 6.7 p -80.43 171.59 14.86 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 121.871 -0.518 . . . . 0.0 110.428 -179.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -50.44 -40.11 49.48 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.949 0.404 . . . . 0.0 111.128 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -102.48 146.68 27.75 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 170.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -107.36 115.39 30.07 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 30.5 t70 . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.337 -0.839 . . . . 0.0 110.177 -176.111 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.745 ' HE2' ' HA ' ' A' ' 1' ' ' MET . 18.8 mmt . . . . . 0 N--CA 1.483 1.201 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m 63.16 23.78 14.07 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.434 0.635 . . . . 0.0 110.308 -177.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -109.09 153.56 23.51 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.734 -176.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -169.86 150.59 3.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.663 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -71.63 143.35 49.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.881 0.372 . . . . 0.0 110.748 -177.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -90.32 -164.8 1.22 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.267 178.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -65.2 138.3 58.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.237 0.541 . . . . 0.0 112.047 -176.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -136.97 -62.34 0.64 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.436 -0.802 . . . . 0.0 108.858 169.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -93.28 131.22 38.61 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 177.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.591 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -80.54 113.67 18.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.176 0.513 . . . . 0.0 110.639 -178.376 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.424 ' HB2' ' O ' ' A' ' 10' ' ' ARG . 32.1 t80 178.23 105.64 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.947 177.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.612 ' HB3' HD11 ' A' ' 111' ' ' LEU . 2.0 t-160 -93.19 106.08 18.08 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 176.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.8 ptm85 -84.08 118.57 24.17 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.248 0.547 . . . . 0.0 111.871 -172.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 26.7 mm -94.16 91.22 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.294 173.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.442 ' HA ' ' O ' ' A' ' 34' ' ' HIS . . . -163.01 120.98 1.99 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.285 178.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -105.52 159.31 16.04 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -178.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -95.51 30.15 2.36 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.784 0.802 . . . . 0.0 109.511 173.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.51 144.84 41.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.815 175.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -67.89 123.82 21.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.96 0.41 . . . . 0.0 110.358 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.4 t -123.18 130.73 53.15 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.113 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -124.98 122.77 38.28 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.944 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.513 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 53.1 mt -97.01 130.96 44.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 176.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.506 ' HB2' ' HB2' ' A' ' 58' ' ' GLU . 17.8 mt -121.85 140.36 52.48 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.469 -172.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.02 80.41 1.7 Allowed 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 167.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.68 -98.38 0.24 Allowed Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.955 -175.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -89.04 -22.59 22.88 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.562 0.22 . . . . 0.0 111.409 -178.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -82.7 113.53 20.43 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 120.774 0.321 . . . . 0.0 110.482 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -108.92 126.66 53.31 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.606 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 7.6 m-90 -121.17 121.7 38.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.539 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -81.91 104.96 12.65 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 174.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.486 HG13 HG13 ' A' ' 22' ' ' ILE . 10.9 p -106.92 158.55 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.718 -167.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tt -87.12 110.04 19.85 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 175.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.7 tp -66.57 140.48 57.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.079 -178.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.442 ' O ' ' HA ' ' A' ' 15' ' ' ALA . 47.3 m-70 -127.65 -95.66 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.366 177.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.572 ' OD2' ' HA ' ' A' ' 121' ' ' SER . 1.5 m-20 -118.73 148.47 42.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.64 0.257 . . . . 0.0 110.312 -170.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.8 p -140.63 151.72 20.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.717 0.294 . . . . 0.0 111.074 -175.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 77.4 p -142.94 -176.38 4.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.823 176.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 46.1 tp -83.35 -4.91 58.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.512 0.672 . . . . 0.0 109.624 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.645 ' HD1' ' HA ' ' A' ' 115' ' ' GLU . 6.3 m170 -98.45 -17.23 18.88 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-O 121.798 0.809 . . . . 0.0 109.475 -176.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.597 ' HA3' ' O ' ' A' ' 85' ' ' PHE . . . 154.72 -150.75 22.39 Favored Glycine 0 N--CA 1.442 -0.915 0 CA-C-N 114.424 -1.262 . . . . 0.0 112.006 -175.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.2 tt -153.8 150.27 12.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.723 0.261 . . . . 0.0 111.063 -173.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.563 HD11 ' HB3' ' A' ' 82' ' ' LEU . 24.8 tp -122.24 123.52 41.65 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.4 m -128.97 178.57 4.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.841 0.353 . . . . 0.0 111.46 -177.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -120.24 108.42 1.44 Allowed Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 174.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.446 ' OE1' ' HD2' ' A' ' 46' ' ' PRO . 7.5 tp60 -101.48 134.27 20.36 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-O 120.47 0.176 . . . . 0.0 111.423 -171.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.446 ' HD2' ' OE1' ' A' ' 45' ' ' GLN . 53.3 Cg_endo -70.73 172.31 13.83 Favored 'Trans proline' 0 C--O 1.236 0.398 0 C-N-CA 122.666 2.244 . . . . 0.0 111.531 172.29 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -75.44 88.26 2.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.0 0.429 . . . . 0.0 112.087 -176.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -166.33 20.25 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.818 0.818 . . . . 0.0 108.863 171.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 51.0 t-105 -70.07 130.03 41.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.8 -174.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -155.26 144.81 21.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.399 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 134.19 -36.23 2.13 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 121.152 -0.547 . . . . 0.0 111.876 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.772 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 35.8 m-20 62.65 174.14 0.06 OUTLIER Pre-proline 0 N--CA 1.467 0.412 0 C-N-CA 122.734 0.414 . . . . 0.0 111.136 -177.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.772 ' HD2' ' HB3' ' A' ' 52' ' ' ASP . 47.3 Cg_endo -68.75 28.49 0.15 Allowed 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 122.287 1.991 . . . . 0.0 112.795 174.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.524 ' H ' ' C ' ' A' ' 52' ' ' ASP . 43.7 mt-30 -112.91 -17.11 12.57 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.411 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 10.2 mmt180 -109.88 129.41 23.96 Favored Pre-proline 0 N--CA 1.447 -0.6 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.006 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.62 133.83 60.48 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.867 2.378 . . . . 0.0 111.505 172.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 29.0 m-85 -115.08 145.61 42.15 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.513 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 45.4 mt-10 -118.39 141.52 48.46 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.645 0.26 . . . . 0.0 110.823 -178.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.447 ' HB2' ' CG ' ' A' ' 71' ' ' MET . . . -116.82 113.28 22.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.234 175.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -104.59 114.96 29.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.024 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.595 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 86.3 mt -110.08 120.0 41.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.775 0.322 . . . . 0.0 111.181 -177.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -93.64 111.04 22.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.895 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -112.34 -4.44 14.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.406 0.622 . . . . 0.0 109.777 176.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.83 -178.48 48.06 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 178.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.7 mp -72.34 -34.85 68.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.172 0.486 . . . . 0.0 110.137 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -99.77 -29.76 12.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.831 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -84.29 87.44 2.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.194 0.521 . . . . 0.0 110.674 -176.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.2 tp -109.9 120.05 41.27 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.71 177.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.595 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 69.3 mt -105.95 114.06 44.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.188 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 -112.09 149.94 31.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.059 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.447 ' CG ' ' HB2' ' A' ' 59' ' ' ALA . 23.1 ptm -150.15 121.99 8.15 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.967 175.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -82.67 126.79 32.74 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.56 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 5.8 pt -137.87 177.96 4.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.948 -172.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.545 ' HB2' ' NE2' ' A' ' 88' ' ' GLN . 18.3 t -146.18 160.46 41.93 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 170.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.558 ' HB2' ' CE1' ' A' ' 57' ' ' PHE . 11.9 tp -77.56 124.01 27.36 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.111 -0.635 . . . . 0.0 110.835 -175.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -135.12 12.72 3.58 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.217 0.532 . . . . 0.0 110.208 177.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.675 ' HB2' HD21 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -160.22 147.5 16.21 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.365 -176.864 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -162.3 115.32 1.73 Allowed 'General case' 0 C--N 1.292 -1.901 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.638 -178.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.477 ' HB2' ' CZ3' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -136.23 84.33 2.07 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 175.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 50.34 37.38 15.16 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 168.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 127.21 -39.19 1.99 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.617 -0.802 . . . . 0.0 111.545 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.563 ' HB3' HD11 ' A' ' 42' ' ' LEU . 94.6 mt -80.81 113.18 18.83 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 175.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.462 ' O ' ' HA ' ' A' ' 42' ' ' LEU . 83.4 mt -105.38 128.16 53.36 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.255 -177.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.538 ' HA3' ' HB3' ' A' ' 77' ' ' TRP . . . -109.75 132.45 11.05 Favored Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 178.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.597 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 91.5 m-85 -116.38 139.79 50.04 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 120.782 0.325 . . . . 0.0 110.982 -176.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -87.15 131.91 34.02 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 173.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.513 ' HA ' HG22 ' A' ' 73' ' ' ILE . 28.5 p -75.68 137.86 40.95 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.016 0.436 . . . . 0.0 111.423 -175.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.545 ' NE2' ' HB2' ' A' ' 74' ' ' SER . 66.6 mt-30 -109.22 -65.14 1.17 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.173 174.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 49.0 t60 -130.13 105.62 8.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.052 -177.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 26.4 mt -111.19 112.56 41.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 170.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.433 ' O ' HG13 ' A' ' 95' ' ' ILE . 6.5 m-20 -59.93 141.06 56.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.418 -178.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 34.3 tp -60.19 -27.2 66.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.359 0.599 . . . . 0.0 109.829 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.16 -48.69 69.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.223 177.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.495 ' HB2' HG22 ' A' ' 69' ' ' ILE . 9.7 p -70.41 -33.07 70.94 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.524 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 91' ' ' ASP . 81.7 mt -58.44 -49.25 82.83 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 172.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.1 t -56.93 -46.39 82.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.911 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -62.48 -47.08 85.55 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.055 -178.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.442 ' HB2' HD12 ' A' ' 69' ' ' ILE . 51.7 tp -70.57 -44.49 67.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.29 -175.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 30.7 ttp85 -64.98 -43.43 92.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.578 -177.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -70.27 -26.41 63.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.537 -177.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 63.3 tp -61.24 -46.19 91.41 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.212 0.529 . . . . 0.0 109.624 174.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 49.3 t -67.06 -37.77 79.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.288 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -60.29 -53.98 51.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.236 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.89 -24.96 66.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.599 -176.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -95.19 0.0 53.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.243 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 79.5 mt 51.87 41.7 29.59 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.232 0.539 . . . . 0.0 110.865 -178.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -83.62 1.7 88.36 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.755 -176.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 64.69 104.96 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 123.141 0.576 . . . . 0.0 111.18 -178.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -73.4 1.97 8.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.668 -176.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -57.31 -41.9 80.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.811 174.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.612 HD11 ' HB3' ' A' ' 12' ' ' HIS . 74.2 mt -74.76 -8.99 58.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.494 -174.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.488 ' O ' HD21 ' A' ' 112' ' ' LEU . 7.9 tt -86.22 -10.75 54.08 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 177.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.424 ' O ' ' HE1' ' A' ' 39' ' ' HIS . 30.5 tt0 -105.26 11.89 32.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.037 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.475 ' HB2' ' CD1' ' A' ' 119' ' ' LEU . 80.7 mtm180 -70.88 130.42 41.59 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 174.181 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.645 ' HA ' ' HD1' ' A' ' 39' ' ' HIS . 7.4 tp10 -62.98 161.07 13.67 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.675 HD21 ' HB2' ' A' ' 77' ' ' TRP . 36.3 tp -57.41 -42.1 81.62 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 118.075 0.398 . . . . 0.0 110.343 175.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.75 -23.21 67.08 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.735 172.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.552 ' HG ' ' HB3' ' A' ' 115' ' ' GLU . 68.9 mt -96.06 -7.08 37.15 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.092 0.472 . . . . 0.0 110.527 178.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.475 ' CD1' ' HB2' ' A' ' 114' ' ' ARG . 5.3 tp -89.76 80.39 6.55 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 121.38 0.609 . . . . 0.0 110.412 -169.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 8.9 p -97.39 150.12 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 172.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.572 ' HA ' ' OD2' ' A' ' 35' ' ' ASP . 9.8 t -81.15 165.23 21.74 Favored 'General case' 0 C--N 1.313 -0.985 0 C-N-CA 120.32 -0.552 . . . . 0.0 111.407 -170.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -53.18 -23.52 8.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.537 170.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -77.67 92.22 4.11 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.471 174.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -129.23 108.18 10.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.11 176.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.52 -0.753 . . . . 0.0 110.275 179.334 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.4 ttm . . . . . 0 N--CA 1.483 1.189 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -138.23 87.32 2.23 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 174.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -77.95 61.93 2.65 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.394 0.616 . . . . 0.0 111.697 -174.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.413 HE21 ' HB2' ' A' ' 4' ' ' GLN . 17.9 mt-30 -136.75 -94.75 0.23 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.255 -0.884 . . . . 0.0 108.696 175.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -152.02 -63.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 171.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.2 t70 48.46 49.67 17.88 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.055 178.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -71.38 121.42 18.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.321 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.6 mtm180 -110.85 41.52 1.79 Allowed 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 69.2 -71.98 0.11 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 114.508 -1.224 . . . . 0.0 110.815 -174.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 178.2 92.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.423 ' O ' ' HB3' ' A' ' 12' ' ' HIS . 7.5 t80 73.21 -40.98 0.49 Allowed 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.932 0.893 . . . . 0.0 110.746 -176.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.423 ' HB3' ' O ' ' A' ' 11' ' ' PHE . 69.2 t60 77.79 -16.34 0.66 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.557 0.743 . . . . 0.0 111.969 173.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.592 ' CZ ' ' H ' ' A' ' 120' ' ' VAL . 23.5 mmt180 -129.44 152.17 49.27 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 -177.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.0 pt -106.21 91.94 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.532 0.682 . . . . 0.0 110.206 173.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.451 ' HA ' HD21 ' A' ' 33' ' ' LEU . . . -128.08 84.38 2.24 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.853 -176.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -77.0 142.52 39.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.607 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -69.74 90.22 0.58 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.621 0.724 . . . . 0.0 111.564 -176.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -131.91 116.03 16.65 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.98 -1.009 . . . . 0.0 108.71 174.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.479 ' O ' ' HD2' ' A' ' 62' ' ' TYR . 64.7 m-20 -56.91 120.78 8.52 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -178.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 60' ' ' ARG . 23.2 t -107.2 110.08 22.05 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.21 -177.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -96.82 120.3 36.9 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 175.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.458 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 65.9 mt -96.62 113.78 31.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.56 175.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.423 HD23 ' HG2' ' A' ' 28' ' ' ARG . 61.8 mt -99.21 137.65 37.42 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.69 -177.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -109.52 37.42 2.63 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 170.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.23 -62.59 4.54 Favored Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.35 -173.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.496 ' HG3' ' HG3' ' A' ' 27' ' ' ARG . 12.7 pt-20 -100.76 -37.63 8.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.645 0.259 . . . . 0.0 111.527 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.496 ' HG3' ' HG3' ' A' ' 26' ' ' GLU . 51.5 mtp85 -88.08 139.44 30.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.629 0.252 . . . . 0.0 111.023 -174.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.423 ' HG2' HD23 ' A' ' 23' ' ' LEU . 98.6 mtt180 -121.65 111.21 16.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.623 -177.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 -110.98 103.47 11.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.309 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -79.17 108.89 13.0 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 174.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.6 p -123.33 159.35 27.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.152 -172.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.2 mp -88.07 141.24 28.73 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.758 177.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.463 HD12 ' HB ' ' A' ' 36' ' ' VAL . 8.7 tt -83.75 131.47 34.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.672 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -103.73 -43.38 5.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.761 0.315 . . . . 0.0 110.791 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -160.09 137.23 9.38 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 175.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.463 ' HB ' HD12 ' A' ' 33' ' ' LEU . 14.7 p -129.07 149.41 33.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.772 0.32 . . . . 0.0 110.3 -175.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.8 p -164.98 -168.01 1.34 Allowed 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 120.585 0.231 . . . . 0.0 111.164 -177.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.4 mt -89.94 -15.48 31.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.23 -177.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -98.09 5.9 48.14 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.004 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.55 -159.91 24.62 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.305 -0.95 . . . . 0.0 112.624 -178.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.9 tt -159.28 149.54 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.634 0.254 . . . . 0.0 110.415 -174.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 119' ' ' LEU . 38.5 tp -116.45 129.54 56.27 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.277 176.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.2 m -127.1 170.58 16.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.197 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -132.23 100.11 0.41 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.984 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.446 HE21 HD13 ' A' ' 22' ' ' ILE . 69.0 mt-30 -95.69 147.58 33.23 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-O 120.587 0.232 . . . . 0.0 110.509 -179.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 45' ' ' GLN . 24.4 Cg_exo -62.76 -77.03 0.02 OUTLIER 'Trans proline' 0 CA--C 1.533 0.471 0 C-N-CA 123.054 2.503 . . . . 0.0 113.762 -177.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -140.67 -40.6 0.41 Allowed 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -174.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -70.11 108.0 3.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.82 0.343 . . . . 0.0 110.845 -175.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -167.56 137.84 2.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.817 -177.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -80.1 -79.88 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 177.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.71 47.25 0.41 Allowed Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.196 -1.002 . . . . 0.0 112.258 175.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.45 ' C ' ' H ' ' A' ' 54' ' ' GLN . 3.4 m-20 -101.51 105.89 42.94 Favored Pre-proline 0 N--CA 1.446 -0.648 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 177.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.559 ' HA ' ' HB3' ' A' ' 75' ' ' LEU . 72.1 Cg_endo -76.2 22.79 0.49 Allowed 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.729 2.286 . . . . 0.0 111.829 -178.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.45 ' H ' ' C ' ' A' ' 52' ' ' ASP . 22.4 mt-30 -137.68 11.84 2.94 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 55' ' ' ARG . 9.6 ttm180 -111.48 113.52 53.51 Favored Pre-proline 0 N--CA 1.433 -1.28 0 CA-C-N 114.25 -1.341 . . . . 0.0 110.251 -172.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.73 112.92 1.09 Allowed 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.988 2.459 . . . . 0.0 112.667 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -106.47 134.7 49.2 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 177.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.458 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 43.0 mt-10 -108.2 114.13 27.79 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.193 -171.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.83 121.98 39.28 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.771 0.32 . . . . 0.0 110.649 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.435 ' O ' ' HA ' ' A' ' 20' ' ' SER . 70.7 mtp180 -111.41 113.4 25.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.25 178.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.632 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 97.8 mt -99.83 114.03 26.94 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.081 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.479 ' HD2' ' O ' ' A' ' 19' ' ' ASP . 87.3 m-85 -94.32 103.77 15.77 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.225 -177.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.478 HD22 HD12 ' A' ' 69' ' ' ILE . 4.3 mm? -97.09 -4.17 39.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.899 0.857 . . . . 0.0 108.728 171.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.84 -159.22 25.67 Favored Glycine 0 N--CA 1.441 -0.983 0 N-CA-C 109.771 -1.332 . . . . 0.0 109.771 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.7 tp -101.91 -28.34 12.46 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 176.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -92.43 -17.5 24.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.06 176.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.6 t -105.31 99.81 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.746 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.6 tp -125.59 100.7 6.57 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.747 -175.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.632 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 2.3 mp -84.64 101.78 9.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -109.64 119.84 40.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.107 0.479 . . . . 0.0 110.609 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.8 ptp -125.66 131.35 52.65 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.317 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.52 ' HB3' ' HB3' ' A' ' 89' ' ' HIS . 34.9 tt0 -97.84 104.26 16.27 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.518 HG23 ' HA ' ' A' ' 87' ' ' CYS . 4.0 pt -110.31 169.95 3.49 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.359 -168.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.515 ' HB2' HE21 ' A' ' 88' ' ' GLN . 23.2 t -120.04 136.89 54.4 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.629 178.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.559 ' HB3' ' HA ' ' A' ' 53' ' ' PRO . 62.2 tp -68.62 122.37 18.36 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.309 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.492 ' HB3' ' HG3' ' A' ' 86' ' ' GLU . . . -94.72 -56.32 2.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.897 0.38 . . . . 0.0 110.564 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 65.8 p-90 -144.19 147.45 33.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.77 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -130.34 122.91 28.78 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.785 177.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -132.03 103.08 6.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.649 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.3 t70 64.77 -84.45 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.228 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -128.47 -10.33 3.35 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.995 178.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 80.4 mt -85.31 116.2 23.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.932 0.396 . . . . 0.0 110.07 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 41.5 mt -113.58 114.66 26.78 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.206 -175.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -100.57 121.38 7.22 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 121.015 -0.612 . . . . 0.0 111.809 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.429 ' CB ' HD11 ' A' ' 73' ' ' ILE . 81.3 m-85 -113.7 148.52 36.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.73 0.3 . . . . 0.0 110.916 -178.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.492 ' HG3' ' HB3' ' A' ' 76' ' ' ALA . 50.6 mt-10 -108.89 150.09 28.19 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.88 174.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.518 ' HA ' HG23 ' A' ' 73' ' ' ILE . 11.7 p -73.91 119.21 17.82 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.999 -177.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.515 HE21 ' HB2' ' A' ' 74' ' ' SER . 3.0 tp-100 -105.94 -63.17 1.28 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.295 0.569 . . . . 0.0 110.014 -178.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.52 ' HB3' ' HB3' ' A' ' 72' ' ' GLU . 19.3 t60 -116.68 99.33 7.06 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.539 -0.755 . . . . 0.0 108.975 177.011 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.1 mt -96.72 124.82 49.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.037 -178.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -69.39 143.95 53.52 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.4 mp -60.01 -39.47 85.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.064 0.459 . . . . 0.0 110.582 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -69.24 -34.57 75.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.995 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 48.3 t -60.7 -46.74 89.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.151 176.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 64.4 mt -60.54 -44.81 97.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.363 178.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' A' ' 100' ' ' ARG . 42.8 t -57.07 -57.78 11.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.342 -178.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -64.74 -33.67 76.51 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -175.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.97 -59.21 5.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.903 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 99' ' ' ARG . 24.5 ttt180 -68.98 -36.71 78.17 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.789 -179.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' A' ' 96' ' ' SER . 0.0 OUTLIER -58.08 -42.81 86.38 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -178.547 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 57.3 tp -68.35 -52.21 35.82 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 121.056 -0.258 . . . . 0.0 110.895 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.623 HG23 HD21 ' A' ' 112' ' ' LEU . 61.0 t -64.7 -36.23 76.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 120.908 0.385 . . . . 0.0 111.723 -176.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -69.4 -52.2 29.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.169 -176.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.1 mp -70.38 -27.38 64.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.747 0.308 . . . . 0.0 111.139 -178.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -76.59 -13.62 60.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.205 0.526 . . . . 0.0 109.596 176.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.414 ' HA ' HD21 ' A' ' 106' ' ' LEU . 0.2 OUTLIER 64.22 43.86 4.68 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.781 -179.819 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -89.11 -2.76 77.13 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 174.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.6 t70 72.55 144.69 0.07 Allowed 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.807 0.843 . . . . 0.0 110.899 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -77.9 -8.06 57.58 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.221 -0.3 . . . . 0.0 110.719 -177.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -54.75 -39.74 68.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.199 0.523 . . . . 0.0 110.13 176.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 89.9 mt -70.78 -23.28 62.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.293 -178.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.623 HD21 HG23 ' A' ' 102' ' ' VAL . 94.8 mt -81.33 -21.71 39.01 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 122.143 -0.348 . . . . 0.0 110.371 178.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -110.48 23.66 13.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.715 -172.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 70.2 mtm180 -77.18 -169.17 1.28 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 173.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.453 ' O ' HD12 ' A' ' 119' ' ' LEU . 7.1 mm-40 -109.92 149.36 30.02 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 175.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 61.7 tp -54.25 -34.74 61.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.77 0.319 . . . . 0.0 110.781 175.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.4 -13.73 62.5 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.737 176.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 79.3 mt -96.33 -10.68 27.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.953 0.406 . . . . 0.0 110.533 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.553 ' HA ' ' NH1' ' A' ' 13' ' ' ARG . 9.8 mp -94.01 105.05 17.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.49 0.662 . . . . 0.0 110.277 -178.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.943 HG12 ' H ' ' A' ' 121' ' ' SER . 3.5 t -118.01 -164.17 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 114.743 -1.117 . . . . 0.0 108.957 -176.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.943 ' H ' HG12 ' A' ' 120' ' ' VAL . 72.7 m -90.53 172.22 8.86 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 122.449 0.299 . . . . 0.0 111.226 -177.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -47.14 -49.77 21.61 Favored 'General case' 0 C--O 1.233 0.201 0 O-C-N 123.727 0.642 . . . . 0.0 110.594 175.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -82.87 91.82 7.17 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.773 0.797 . . . . 0.0 109.287 170.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -68.77 -43.39 75.86 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.734 -175.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 38.6 t70 . . . . . 0 C--O 1.245 0.836 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.395 177.656 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 120.792 0.33 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 t -94.28 -43.06 8.6 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.386 -177.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -117.52 125.08 50.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.327 -0.397 . . . . 0.0 109.934 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -121.49 101.23 7.49 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.323 0.582 . . . . 0.0 112.279 -175.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -120.89 73.09 1.0 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 169.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -72.54 -3.58 25.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.431 -172.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -49.56 -40.67 39.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.852 0.358 . . . . 0.0 111.425 175.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -101.58 -4.12 27.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.547 -176.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 58.5 mtm180 -93.44 163.19 13.68 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -132.24 -148.8 0.36 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.903 -174.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -73.33 76.26 1.36 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.521 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.51 96.71 1.98 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.453 0.644 . . . . 0.0 111.598 178.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -132.19 141.27 49.02 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.714 -1.13 . . . . 0.0 108.007 174.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.9 mm -82.21 89.12 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.985 0.898 . . . . 0.0 110.687 -175.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.482 ' HB1' ' O ' ' A' ' 34' ' ' HIS . . . -171.03 126.54 0.69 Allowed 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 113.744 -1.571 . . . . 0.0 108.46 176.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.461 ' HD2' HD11 ' A' ' 63' ' ' LEU . 1.7 m-85 -94.11 9.35 38.14 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -174.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.8 t70 54.11 81.35 0.1 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.078 -177.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 62' ' ' TYR . . . -135.17 174.78 10.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.996 -172.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.534 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 8.9 m-20 -81.32 108.95 15.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.643 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.426 ' HB3' HD23 ' A' ' 61' ' ' LEU . 4.0 p -118.44 120.4 37.44 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.076 -177.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -115.68 136.53 52.97 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.066 178.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.528 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 84.9 mt -103.33 118.89 51.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 173.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.627 HD21 ' HG2' ' A' ' 28' ' ' ARG . 24.4 mt -99.05 113.61 25.89 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.476 -177.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.409 HE21 ' HB2' ' A' ' 55' ' ' ARG . 61.4 tt0 -93.07 79.94 4.55 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 173.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.91 -72.02 1.1 Allowed Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.045 -176.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -132.49 -20.11 2.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.822 0.344 . . . . 0.0 111.151 -177.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.423 ' HD3' ' H ' ' A' ' 28' ' ' ARG . 9.5 tpp180 -91.13 129.64 37.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.153 0.501 . . . . 0.0 110.017 -176.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.627 ' HG2' HD21 ' A' ' 23' ' ' LEU . 24.7 mtt85 -109.4 121.76 45.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.223 -169.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 7.6 m-90 -108.4 123.34 48.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.761 176.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -80.37 103.2 10.07 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 174.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.801 HG23 ' HB2' ' A' ' 45' ' ' GLN . 7.1 p -105.69 161.04 5.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.194 -174.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.411 HD11 ' N ' ' A' ' 32' ' ' LEU . 6.2 mp -97.41 115.45 27.76 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 64.5 tp -60.29 138.54 57.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.028 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.648 ' HB2' ' HA ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -127.67 -79.15 0.58 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.083 -170.915 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.403 ' CG ' ' HA ' ' A' ' 121' ' ' SER . 5.7 m-20 -143.86 110.94 5.74 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -173.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.6 p -120.87 147.51 24.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.045 0.45 . . . . 0.0 112.077 -172.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.1 p -131.43 -179.32 5.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.645 176.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 61.2 mt -81.71 -1.35 46.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.287 0.565 . . . . 0.0 110.182 177.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.796 ' HD1' ' HA ' ' A' ' 115' ' ' GLU . 2.4 m170 -107.82 -16.03 14.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.684 0.754 . . . . 0.0 109.911 -173.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.493 ' HA2' ' SG ' ' A' ' 87' ' ' CYS . . . 165.93 165.55 23.47 Favored Glycine 0 N--CA 1.443 -0.866 0 CA-C-N 114.614 -1.175 . . . . 0.0 111.523 -171.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.1 tt -125.87 128.2 71.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.055 0.455 . . . . 0.0 111.039 -175.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.687 HD12 ' HB3' ' A' ' 82' ' ' LEU . 65.6 tp -104.13 121.17 42.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.391 175.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.648 ' HA ' ' HB2' ' A' ' 34' ' ' HIS . 15.7 m -124.76 170.57 14.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.584 178.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -128.57 124.81 4.79 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 111.126 -0.789 . . . . 0.0 111.126 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.801 ' HB2' HG23 ' A' ' 31' ' ' VAL . 27.4 tt0 -138.82 98.69 8.58 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 116.95 0.375 . . . . 0.0 111.052 -178.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -80.6 47.35 2.53 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.904 2.403 . . . . 0.0 111.477 175.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -129.42 171.62 12.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.76 -177.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.19 122.72 22.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.161 0.505 . . . . 0.0 110.113 177.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -127.66 146.86 50.41 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.212 -171.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -84.47 -78.49 0.24 Allowed 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.61 25.72 24.74 Favored Glycine 0 CA--C 1.5 -0.846 0 C-N-CA 119.925 -1.131 . . . . 0.0 112.044 171.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.485 ' OD1' ' HB2' ' A' ' 54' ' ' GLN . 31.2 t70 -72.63 112.42 15.01 Favored Pre-proline 0 C--N 1.319 -0.745 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 176.105 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.31 12.3 1.08 Allowed 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.584 2.19 . . . . 0.0 112.463 -174.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.485 ' HB2' ' OD1' ' A' ' 52' ' ' ASP . 14.8 mm100 -100.89 -5.83 25.54 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 173.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.466 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 15.5 mmt180 -110.47 107.11 58.3 Favored Pre-proline 0 N--CA 1.448 -0.558 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.038 178.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -58.84 134.86 63.08 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.701 2.268 . . . . 0.0 111.54 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -104.57 135.96 45.02 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.147 0.499 . . . . 0.0 110.739 -175.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.528 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 59.9 mm-40 -107.24 127.57 53.65 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.202 178.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.89 107.95 20.55 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 175.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -107.48 105.27 15.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.832 -178.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.692 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 61.8 mt -104.4 115.09 29.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.413 -175.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.534 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 87.5 m-85 -93.24 110.56 22.08 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.613 176.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.461 HD11 ' HD2' ' A' ' 16' ' ' PHE . 4.4 mm? -100.26 -19.97 16.12 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.352 0.596 . . . . 0.0 109.793 174.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -158.59 -158.62 9.14 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.963 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -81.21 -39.34 25.56 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -108.78 -21.81 12.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.373 . . . . 0.0 110.392 177.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.4 t -75.47 95.0 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.37 -177.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 61' ' ' LEU . 42.1 tp -117.61 130.45 56.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.218 -178.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.692 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 59.7 mt -110.12 114.01 45.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -120.71 139.79 52.56 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.918 0.39 . . . . 0.0 110.626 -176.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.3 ptp -147.67 136.14 21.67 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.157 177.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.465 ' HB3' ' HB3' ' A' ' 89' ' ' HIS . 30.4 tt0 -80.74 112.74 18.4 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 175.26 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.574 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 17.5 pt -121.45 145.67 27.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.341 0.591 . . . . 0.0 111.617 -175.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.6 t -112.3 136.98 51.08 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.521 -0.763 . . . . 0.0 108.979 176.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 37.1 tp -71.36 111.9 7.06 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.97 0.414 . . . . 0.0 110.927 -176.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -92.06 -46.57 7.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.058 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 -157.75 148.15 20.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.888 0.375 . . . . 0.0 111.084 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -142.81 121.65 12.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.558 175.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -145.64 139.9 26.95 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.048 -176.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.6 t70 66.91 -89.6 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.827 0.705 . . . . 0.0 110.927 178.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -143.28 7.23 2.04 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 175.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.687 ' HB3' HD12 ' A' ' 42' ' ' LEU . 96.8 mt -111.4 132.47 54.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.49 -0.355 . . . . 0.0 110.315 -176.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.9 mp -120.35 124.03 44.55 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.341 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.87 111.27 3.48 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 121.105 -0.569 . . . . 0.0 111.798 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.574 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 77.8 m-85 -102.31 146.48 27.97 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -96.7 133.21 41.52 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.493 ' SG ' ' HA2' ' A' ' 40' ' ' GLY . 83.0 m -86.62 113.34 22.42 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.327 -176.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -92.91 -61.09 1.65 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.721 0.296 . . . . 0.0 110.848 176.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.465 ' HB3' ' HB3' ' A' ' 72' ' ' GLU . 22.1 t60 -116.62 100.78 8.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.88 0.372 . . . . 0.0 110.575 -176.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 21.3 mt -101.66 128.09 54.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 175.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.473 ' O ' HG13 ' A' ' 95' ' ' ILE . 9.1 t70 -67.79 137.69 55.58 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -178.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.82 -30.65 70.97 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.118 0.261 . . . . 0.0 111.35 -177.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -67.16 -43.02 83.32 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 175.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.493 ' HB3' HG22 ' A' ' 69' ' ' ILE . 51.5 m -67.34 -38.84 85.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.934 178.354 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 91' ' ' ASP . 78.5 mt -58.66 -45.6 90.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 121.026 0.441 . . . . 0.0 110.021 174.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.9 m -62.24 -40.65 96.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.742 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -60.42 -51.17 70.62 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.839 0.352 . . . . 0.0 110.189 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -57.65 -58.96 6.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.718 -177.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -60.52 -49.02 79.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.76 -175.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -67.6 -40.54 84.73 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -175.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 44.8 tp -62.82 -42.94 99.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.884 0.373 . . . . 0.0 110.839 -177.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 54.5 t -71.37 -39.88 72.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.607 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -67.7 -39.69 84.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.143 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 77.5 mt -60.15 -33.6 72.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.85 0.357 . . . . 0.0 111.14 177.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -87.07 -30.08 21.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.07 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.13 32.74 19.61 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.421 0.629 . . . . 0.0 109.832 -177.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -81.57 52.68 4.59 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.631 -177.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 58.76 80.98 0.17 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.552 0.691 . . . . 0.0 111.499 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.25 2.68 42.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.801 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -67.68 -19.24 65.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.523 0.678 . . . . 0.0 110.314 177.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.445 HD23 HH21 ' A' ' 114' ' ' ARG . 61.2 mt -71.41 -35.43 71.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.606 -0.724 . . . . 0.0 112.044 -175.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.0 pp -87.1 5.17 39.04 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -170.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -115.16 21.4 14.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.163 0.506 . . . . 0.0 111.274 -177.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.478 ' HB2' HD11 ' A' ' 119' ' ' LEU . 34.6 mtt180 -79.96 -91.37 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 174.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.796 ' HA ' ' HD1' ' A' ' 39' ' ' HIS . 9.0 tp10 -179.84 161.05 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 178.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 61.6 tp -54.6 -50.58 67.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 118.132 0.424 . . . . 0.0 110.572 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.22 -4.0 36.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.992 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.2 mt -104.06 -7.83 19.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.677 0.275 . . . . 0.0 110.996 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.478 HD11 ' HB2' ' A' ' 114' ' ' ARG . 3.9 mp -92.63 116.59 29.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.219 0.533 . . . . 0.0 110.674 179.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.3 p -107.8 136.14 44.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 115.414 -0.812 . . . . 0.0 108.864 176.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.403 ' HA ' ' CG ' ' A' ' 35' ' ' ASP . 56.7 p -65.21 171.67 3.6 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.252 -173.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -46.71 -33.28 4.19 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.083 172.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -86.51 98.8 11.26 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 169.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -104.29 134.03 48.2 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.347 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.664 -0.684 . . . . 0.0 109.852 178.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.418 ' C ' ' H ' ' A' ' 3' ' ' ASP . 47.7 tpp . . . . . 0 N--CA 1.478 0.929 0 CA-C-O 120.796 0.331 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.4 p -80.23 27.54 0.33 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.228 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.418 ' H ' ' C ' ' A' ' 1' ' ' MET . 9.9 t70 -162.32 -168.95 1.99 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -177.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -113.17 -64.72 1.27 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -168.81 125.35 0.97 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.295 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -75.99 -35.67 59.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.967 0.413 . . . . 0.0 110.268 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -80.82 124.39 29.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.982 178.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.5 mtm180 -104.39 0.2 28.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.3 178.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 75.38 114.9 0.06 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.757 170.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.7 ttm-85 -143.28 125.47 15.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.942 176.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -78.33 176.65 9.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.145 0.498 . . . . 0.0 111.539 -175.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.458 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 44.9 m80 -122.85 134.41 54.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.745 -178.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.511 ' HD2' ' HA2' ' A' ' 107' ' ' GLY . 14.7 mmt180 -75.79 -61.17 2.02 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 169.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.578 HG21 ' H ' ' A' ' 15' ' ' ALA . 26.5 mm -94.1 169.84 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.008 -0.996 . . . . 0.0 108.921 176.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.578 ' H ' HG21 ' A' ' 14' ' ' ILE . . . 81.07 -43.04 0.18 Allowed 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.027 0.931 . . . . 0.0 110.488 -177.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 61.05 13.74 4.86 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.286 173.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 57.37 27.87 14.47 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.229 0.537 . . . . 0.0 110.56 -174.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.42 175.4 8.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.163 178.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.529 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 69.7 m-20 -95.76 127.53 41.87 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.232 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.2 p -127.88 133.32 49.31 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.246 -177.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -122.42 150.9 41.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.33 176.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.481 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 66.6 mt -114.18 129.7 69.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 172.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.471 HD13 ' HD2' ' A' ' 60' ' ' ARG . 63.8 mt -113.28 152.93 29.24 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.366 -174.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -147.03 92.33 2.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.297 -0.865 . . . . 0.0 108.883 171.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.15 -93.94 0.44 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.283 -174.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.58 2.29 10.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.845 0.355 . . . . 0.0 110.606 174.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -75.58 140.06 42.44 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 172.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.2 ptt-85 -146.18 119.22 8.79 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.025 0.44 . . . . 0.0 111.504 -177.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.502 ' HH2' ' HB2' ' A' ' 50' ' ' ASN . 29.9 m-90 -114.97 115.34 26.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.942 178.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -73.9 104.73 4.88 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 171.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.648 HG23 ' HG2' ' A' ' 45' ' ' GLN . 8.2 p -115.37 168.65 6.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.539 -167.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.508 ' H ' HG22 ' A' ' 31' ' ' VAL . 45.1 tp -90.32 111.53 22.78 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.21 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.499 HD23 ' HA ' ' A' ' 15' ' ' ALA . 45.3 tp -74.5 148.01 41.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.987 175.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -124.1 -80.53 0.62 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.808 0.337 . . . . 0.0 111.212 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.501 ' OD2' ' HA ' ' A' ' 121' ' ' SER . 5.4 m-20 -134.09 165.4 25.15 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -173.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.502 HG12 ' CG2' ' A' ' 14' ' ' ILE . 7.6 p -160.35 153.71 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.188 0.518 . . . . 0.0 111.577 -176.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.489 ' HA ' ' HA ' ' A' ' 112' ' ' LEU . 70.1 p -138.7 -178.9 5.52 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 172.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 69.5 mt -83.64 3.94 30.67 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.426 0.632 . . . . 0.0 109.621 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.849 ' HD1' ' HA ' ' A' ' 115' ' ' GLU . 1.6 m170 -117.21 -10.29 10.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.054 -174.145 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 168.11 156.16 9.99 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.405 -174.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.439 ' CG2' ' HB2' ' A' ' 85' ' ' PHE . 11.8 tt -122.19 145.26 29.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.592 0.234 . . . . 0.0 110.389 -178.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.784 HD11 ' HB3' ' A' ' 82' ' ' LEU . 47.2 tp -121.64 117.16 26.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.396 -177.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.7 m -120.19 171.09 9.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.738 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -121.94 113.56 2.29 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.221 177.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.648 ' HG2' HG23 ' A' ' 31' ' ' VAL . 21.5 mt-30 -113.3 145.88 34.15 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-O 120.441 0.162 . . . . 0.0 110.652 -176.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -62.56 -59.28 0.26 Allowed 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 122.622 2.215 . . . . 0.0 112.429 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 179.12 -41.38 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.239 -179.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -58.72 130.58 47.58 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.907 0.384 . . . . 0.0 111.344 -176.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.454 ' HE3' ' H ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -141.35 -179.6 6.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.986 -179.217 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.502 ' HB2' ' HH2' ' A' ' 29' ' ' TRP . 8.5 t30 -86.53 -60.32 2.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.332 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.99 -66.3 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 119.665 -1.255 . . . . 0.0 113.718 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.462 ' OD2' ' HB2' ' A' ' 54' ' ' GLN . 23.7 t70 -137.72 135.73 19.33 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-O 120.965 0.412 . . . . 0.0 111.87 -169.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -56.98 -18.64 29.01 Favored 'Trans proline' 0 CA--C 1.536 0.607 0 C-N-CA 124.58 3.52 . . . . 0.0 115.425 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.462 ' HB2' ' OD2' ' A' ' 52' ' ' ASP . 1.8 mp0 -85.01 8.93 16.07 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.562 0.696 . . . . 0.0 110.426 -174.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -94.99 141.42 23.23 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.22 178.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -70.73 104.53 1.49 Allowed 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.762 2.308 . . . . 0.0 112.519 -178.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -95.82 150.57 20.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.645 179.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.481 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 27.2 mt-10 -115.54 136.17 53.35 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 120.867 0.365 . . . . 0.0 111.647 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.413 ' HB3' ' CG ' ' A' ' 71' ' ' MET . . . -99.5 112.55 24.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.47 173.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.471 ' HD2' HD13 ' A' ' 23' ' ' LEU . 18.2 ttt180 -106.47 105.33 15.32 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.4 -176.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.643 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 67.9 mt -103.53 119.83 39.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.996 0.427 . . . . 0.0 110.977 -175.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.529 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 84.2 m-85 -94.03 104.84 16.87 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.026 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.8 tp -98.09 -14.76 20.29 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 173.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -165.0 -167.57 25.8 Favored Glycine 0 N--CA 1.44 -1.053 0 CA-C-N 113.753 -1.567 . . . . 0.0 109.196 174.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 65.4 mt -86.24 -29.31 23.23 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 117.697 0.749 . . . . 0.0 110.462 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -113.39 -9.04 13.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.343 175.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.9 t -93.25 88.11 2.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.438 HD11 ' CG ' ' A' ' 60' ' ' ARG . 50.7 tp -112.53 120.21 40.83 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.966 -175.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.643 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 25.6 mt -98.89 106.67 19.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 174.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.64 147.65 42.69 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.79 -178.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.413 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 19.2 ptm -149.11 134.55 18.5 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.435 -179.132 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -90.6 118.13 29.8 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.519 HG23 ' HA ' ' A' ' 87' ' ' CYS . 8.7 pt -128.41 156.95 40.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.232 0.539 . . . . 0.0 111.947 -170.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.4 p -119.46 115.85 24.91 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.481 178.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 55.6 tp -58.18 120.3 8.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.09 0.471 . . . . 0.0 111.039 -177.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -97.79 -57.21 2.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.011 -177.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 -140.96 149.78 42.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.014 0.435 . . . . 0.0 111.319 -176.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -134.15 114.71 13.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.708 176.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -127.35 120.88 29.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.759 0.314 . . . . 0.0 111.261 -176.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.5 t70 65.96 -87.01 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.092 177.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -138.08 2.65 2.97 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.778 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.784 ' HB3' HD11 ' A' ' 42' ' ' LEU . 93.8 mt -109.45 127.24 54.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.878 0.371 . . . . 0.0 110.137 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.7 mp -117.23 129.09 55.7 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.706 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -104.76 121.51 6.97 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.121 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.485 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 34.6 m-85 -107.14 139.26 41.85 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.963 0.411 . . . . 0.0 110.38 -179.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -83.53 132.8 34.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.596 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.808 ' HB3' HD11 ' A' ' 90' ' ' ILE . 75.7 m -82.97 111.11 18.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.327 -176.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -90.96 -66.2 0.95 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.241 178.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -126.89 115.38 19.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.545 -175.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.808 HD11 ' HB3' ' A' ' 87' ' ' CYS . 3.6 mp -117.59 122.78 70.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 171.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.456 ' O ' HG13 ' A' ' 95' ' ' ILE . 10.9 m-20 -69.35 156.75 38.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.754 0.311 . . . . 0.0 111.436 -173.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 71.5 mt -56.51 -54.03 50.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.234 -171.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -69.6 -29.45 66.97 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 -179.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.9 t -64.78 -44.63 89.37 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 91' ' ' ASP . 75.5 mt -57.84 -48.68 83.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.317 176.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.7 t -63.66 -38.12 89.93 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.711 -178.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -57.49 -53.99 51.95 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.917 0.389 . . . . 0.0 110.639 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.425 ' O ' HG22 ' A' ' 102' ' ' VAL . 2.1 tm? -63.5 -46.95 83.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.08 -178.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -57.12 -51.81 67.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.411 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.448 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 18.0 tpp85 -64.01 -34.17 77.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.786 -177.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 49.7 tp -65.49 -39.24 91.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.346 177.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.508 HG21 HD13 ' A' ' 112' ' ' LEU . 80.8 t -64.92 -36.62 78.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.643 177.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -63.98 -42.43 97.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.854 178.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 91.8 mt -68.49 -41.41 80.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.508 -177.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -93.66 -2.74 53.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.875 -175.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.7 mp 56.08 50.42 13.72 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.145 0.498 . . . . 0.0 110.15 -175.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.511 ' HA2' ' HD2' ' A' ' 13' ' ' ARG . . . -71.34 5.05 10.55 Favored Glycine 0 CA--C 1.522 0.472 0 CA-C-N 115.391 -0.822 . . . . 0.0 113.89 -176.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 71.32 108.23 0.06 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.534 0.683 . . . . 0.0 112.45 176.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -61.42 -21.96 64.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.85 175.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.594 ' O ' ' HG3' ' A' ' 114' ' ' ARG . 52.7 mt-10 -53.58 -44.58 69.46 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.779 177.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 46.5 mt -66.96 -41.83 86.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.724 -178.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.508 HD13 HG21 ' A' ' 102' ' ' VAL . 93.0 mt -68.55 -27.42 66.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.866 -0.607 . . . . 0.0 112.186 -173.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -114.51 22.96 13.17 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.878 0.695 . . . . 0.0 112.878 -170.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.594 ' HG3' ' O ' ' A' ' 110' ' ' GLU . 58.3 mtm180 -84.6 -94.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 119.951 -0.699 . . . . 0.0 109.517 171.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.849 ' HA ' ' HD1' ' A' ' 39' ' ' HIS . 0.8 OUTLIER -178.47 165.99 1.78 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 174.458 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.462 ' H ' ' CD ' ' A' ' 115' ' ' GLU . 52.7 tp -64.63 -41.72 95.97 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 175.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.91 -10.59 59.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 177.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.473 HD11 ' HB2' ' A' ' 115' ' ' GLU . 95.3 mt -106.38 3.47 27.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.422 178.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 119' ' ' LEU . 4.7 tp -95.32 120.37 35.44 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.305 0.574 . . . . 0.0 111.47 -171.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 39.0 t -107.46 149.81 10.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 176.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.501 ' HA ' ' OD2' ' A' ' 35' ' ' ASP . 8.3 t -74.9 168.88 19.06 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.18 -178.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -44.58 -38.61 4.35 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.875 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -92.63 90.56 7.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.752 0.787 . . . . 0.0 109.754 175.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -77.82 122.97 26.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.776 178.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 34.7 t70 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.672 -0.68 . . . . 0.0 110.449 -173.759 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.477 0.888 0 CA-C-O 121.323 0.582 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.2 m -141.74 22.43 2.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.558 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -173.8 -28.74 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.451 -175.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -66.14 102.68 0.85 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.693 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -139.58 159.59 41.81 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -178.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -50.96 -44.2 60.55 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.438 0.637 . . . . 0.0 109.99 177.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -74.7 109.11 7.9 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.315 172.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -106.75 -59.85 1.75 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.217 -179.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.459 ' NH2' ' HB3' ' A' ' 106' ' ' LEU . 18.0 mmt180 -136.05 101.51 4.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.69 178.068 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -93.54 9.77 35.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.212 0.53 . . . . 0.0 110.978 -177.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -146.07 106.2 4.03 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.26 177.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -104.33 54.93 0.72 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.182 0.515 . . . . 0.0 111.259 -174.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.713 ' HA ' HD13 ' A' ' 111' ' ' LEU . 36.7 mtt85 -144.85 136.76 25.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.522 178.05 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.519 HG12 HD11 ' A' ' 111' ' ' LEU . 7.3 pt -95.17 89.13 2.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.572 0.701 . . . . 0.0 110.96 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.68 86.77 2.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.226 175.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -88.74 154.34 20.36 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.914 -176.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -78.49 93.04 4.71 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.69 0.757 . . . . 0.0 110.912 -178.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.46 167.87 20.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.81 177.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -101.01 133.26 45.77 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 177.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.5 t -131.04 121.48 25.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.027 0.441 . . . . 0.0 111.698 -174.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -111.8 137.75 49.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.322 174.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.0 mt -110.61 122.02 64.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 170.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 mt -114.18 175.93 5.26 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.71 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.56 40.36 0.51 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.625 0.726 . . . . 0.0 110.144 171.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.99 -42.41 3.15 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.386 -0.824 . . . . 0.0 113.282 -178.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -118.25 -48.35 2.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 117.614 0.707 . . . . 0.0 111.035 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 64.8 mtt-85 -82.84 149.9 26.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.767 179.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.419 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 6.9 ptp180 -140.98 131.71 25.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.215 171.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 48.8 p90 -143.05 133.99 25.52 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.988 0.423 . . . . 0.0 111.119 175.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -86.0 130.59 34.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.789 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.3 p -133.78 155.08 39.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -173.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.403 ' N ' HD13 ' A' ' 32' ' ' LEU . 5.5 mp -91.23 142.18 28.0 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.974 0.416 . . . . 0.0 111.151 -177.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 64.0 tp -75.2 145.98 41.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.265 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -129.98 -48.69 1.12 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.641 0.258 . . . . 0.0 110.561 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -158.43 165.46 34.6 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 108.401 -0.962 . . . . 0.0 108.401 175.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.1 p -162.96 139.07 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.3 0.572 . . . . 0.0 111.734 -175.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.7 p -119.89 -172.89 2.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.959 177.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.9 tt -85.62 1.36 49.5 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.763 0.792 . . . . 0.0 109.05 173.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.707 ' CE1' ' HA ' ' A' ' 115' ' ' GLU . 2.1 m170 -101.34 -47.36 4.72 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 -175.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -165.76 -168.67 28.28 Favored Glycine 0 N--CA 1.44 -1.09 0 CA-C-N 114.746 -1.116 . . . . 0.0 111.472 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.1 tt -127.79 146.19 33.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.601 0.2 . . . . 0.0 110.833 -175.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 50.3 tp -116.26 121.34 41.73 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.814 0.34 . . . . 0.0 110.282 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.9 m -129.43 170.09 19.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.243 -177.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -114.59 111.31 2.52 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 176.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.462 ' HB3' HD12 ' A' ' 83' ' ' LEU . 8.4 tt0 -123.88 113.59 28.41 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-O 120.734 0.302 . . . . 0.0 111.254 -171.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -88.2 29.89 0.45 Allowed 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 123.079 2.519 . . . . 0.0 112.271 177.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.799 ' HG2' ' H ' ' A' ' 48' ' ' ASP . 5.3 tt0 -109.78 -164.22 0.92 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.771 -176.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.799 ' H ' ' HG2' ' A' ' 47' ' ' GLN . 13.5 t70 -135.04 179.7 6.15 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -113.7 173.21 6.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.199 0.524 . . . . 0.0 111.938 -174.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -82.88 -72.53 0.44 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.181 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -143.12 -59.34 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.056 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -135.15 150.75 73.73 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-O 120.674 0.273 . . . . 0.0 111.288 -178.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -79.06 17.49 1.18 Allowed 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 123.081 2.521 . . . . 0.0 111.685 174.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -90.92 2.21 56.4 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.963 0.887 . . . . 0.0 108.799 178.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.478 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 24.8 mmt85 -105.2 123.22 40.4 Favored Pre-proline 0 N--CA 1.442 -0.84 0 CA-C-N 114.566 -1.197 . . . . 0.0 109.601 176.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -45.97 128.14 11.15 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 124.05 3.167 . . . . 0.0 114.199 -174.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -106.21 136.64 45.57 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 173.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -120.09 112.51 19.21 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.972 -0.455 . . . . 0.0 111.516 -174.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.32 121.14 38.87 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.771 0.319 . . . . 0.0 110.621 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -111.59 119.95 40.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.152 177.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.743 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 96.1 mt -99.81 111.58 23.9 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.666 177.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.404 ' CE1' HD11 ' A' ' 68' ' ' LEU . 72.9 m-85 -88.52 102.81 15.29 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.712 -178.321 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.41 -7.76 30.98 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 174.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.91 -176.89 48.2 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.808 178.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.2 mt -78.85 -20.07 50.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.175 0.512 . . . . 0.0 110.223 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.7 -37.84 8.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.717 177.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.9 t -84.8 91.78 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.994 -176.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.404 HD11 ' CE1' ' A' ' 62' ' ' TYR . 3.6 mm? -104.65 107.79 18.91 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.197 176.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.743 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 57.0 mt -93.98 92.62 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 177.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.535 ' O ' ' HD3' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -102.34 127.25 49.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.18 0.514 . . . . 0.0 110.699 -178.331 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.0 ptm -125.64 125.41 43.07 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.109 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -83.97 119.3 24.74 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.695 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.631 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 10.8 pt -130.27 161.09 40.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.398 0.618 . . . . 0.0 111.971 -170.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.3 p -130.94 137.86 49.48 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 171.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.438 HD13 ' HB3' ' A' ' 83' ' ' LEU . 7.4 tp -67.75 110.92 3.98 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.062 0.458 . . . . 0.0 110.799 -176.267 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -113.99 -8.28 13.08 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.597 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.557 ' HB2' HD21 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -132.57 149.0 52.38 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-O 121.616 0.722 . . . . 0.0 110.16 -177.104 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -162.27 116.18 1.81 Allowed 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 114.17 -1.377 . . . . 0.0 110.002 -179.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.531 ' HB2' ' CZ3' ' A' ' 77' ' ' TRP . 1.7 tpm_? -135.85 74.16 1.49 Allowed 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.813 -177.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.6 t70 66.41 -83.28 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.004 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -116.99 -9.62 10.58 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.009 -0.615 . . . . 0.0 111.792 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.495 HD12 ' HB2' ' A' ' 121' ' ' SER . 44.8 mt -105.1 113.17 26.6 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.462 HD12 ' HB3' ' A' ' 45' ' ' GLN . 4.9 mp -121.19 144.74 48.43 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.996 -174.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -121.54 142.29 15.18 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.89 -177.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.631 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 61.8 m-85 -118.31 129.35 55.4 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 -178.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -82.53 129.21 34.88 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 175.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.836 ' HG ' HG12 ' A' ' 90' ' ' ILE . 18.1 t -84.4 124.11 30.95 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.244 0.545 . . . . 0.0 110.987 -173.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -88.32 -49.04 7.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.009 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -129.19 115.4 17.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.75 -177.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.836 HG12 ' HG ' ' A' ' 87' ' ' CYS . 0.6 OUTLIER -113.63 115.89 51.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 173.887 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.471 ' HB2' ' OG ' ' A' ' 94' ' ' SER . 22.2 m-20 -69.08 148.28 50.25 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.076 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.43 -38.98 91.83 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.042 -174.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -65.36 -38.9 91.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.089 178.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.471 ' OG ' ' HB2' ' A' ' 91' ' ' ASP . 2.3 m -58.41 -49.9 75.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.26 176.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 62.2 mt -61.33 -39.06 81.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.805 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.415 ' O ' ' HG3' ' A' ' 100' ' ' ARG . 26.4 m -64.14 -40.77 96.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.849 -179.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -60.34 -43.97 95.95 Favored 'General case' 0 CA--C 1.521 -0.157 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 176.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.11 -53.77 53.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 178.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -58.43 -45.01 89.34 Favored 'General case' 0 C--O 1.223 -0.294 0 C-N-CA 121.024 -0.27 . . . . 0.0 111.417 -178.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 96' ' ' SER . 44.3 mtp180 -64.39 -42.8 95.93 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.072 -178.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 43.1 tp -62.54 -42.81 99.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.907 0.384 . . . . 0.0 110.609 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.22 -38.44 77.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.006 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -68.92 -44.38 73.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.18 -178.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.7 mp -63.14 -38.23 90.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.904 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -81.79 -19.09 41.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.581 176.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.459 ' HB3' ' NH2' ' A' ' 9' ' ' ARG . 19.4 tp 59.86 35.92 21.9 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.845 -177.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -100.29 64.52 0.6 Allowed Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.471 -0.786 . . . . 0.0 113.244 -174.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 64.28 97.06 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 173.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -68.36 -32.45 72.55 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.81 0.814 . . . . 0.0 109.145 172.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -68.53 -8.16 38.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.385 -1.28 . . . . 0.0 111.678 -175.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.713 HD13 ' HA ' ' A' ' 13' ' ' ARG . 6.4 tt -64.45 -41.0 96.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.107 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 93.4 mt -67.66 -21.13 65.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.508 -177.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -76.3 -24.03 54.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.316 -177.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.664 ' NH2' ' HG ' ' A' ' 111' ' ' LEU . 22.1 mtm180 -68.09 146.66 53.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.916 0.388 . . . . 0.0 110.008 -179.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.707 ' HA ' ' CE1' ' A' ' 39' ' ' HIS . 0.3 OUTLIER -83.56 159.42 21.65 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.779 -172.513 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.557 HD21 ' HB2' ' A' ' 77' ' ' TRP . 23.8 tp -59.67 -37.69 79.47 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 175.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.82 -22.58 65.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.109 176.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 58.7 mt -88.37 -9.12 53.75 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.857 0.36 . . . . 0.0 110.62 178.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.46 HD11 ' O ' ' A' ' 115' ' ' GLU . 4.3 mp -101.87 107.33 18.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.614 -174.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.75 HG22 ' HB3' ' A' ' 124' ' ' ASP . 3.2 p -91.2 167.4 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 169.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.495 ' HB2' HD12 ' A' ' 82' ' ' LEU . 32.7 t -64.19 157.94 24.39 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 178.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -45.99 -41.54 11.94 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.241 0.543 . . . . 0.0 110.339 176.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 20.8 t-160 -126.02 95.8 4.53 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.827 170.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.75 ' HB3' HG22 ' A' ' 120' ' ' VAL . 22.0 t70 -152.05 85.72 1.29 Allowed 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 164.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 33.4 t70 . . . . . 0 C--O 1.249 1.058 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.311 -173.544 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptm . . . . . 0 N--CA 1.484 1.259 0 CA-C-O 121.03 0.443 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 m -91.29 -167.32 1.77 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.393 -177.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.466 ' O ' ' HB2' ' A' ' 4' ' ' GLN . 1.7 m-20 -57.71 102.76 0.1 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.747 0.308 . . . . 0.0 110.244 176.269 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' A' ' 3' ' ' ASP . 33.1 tt0 167.62 -40.83 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.53 -172.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -120.45 19.07 12.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.916 -176.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -81.51 12.01 4.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.28 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -52.09 -33.64 40.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.98 -173.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -100.72 13.46 34.81 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -169.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -145.74 140.92 27.55 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.171 -178.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -120.77 155.79 33.24 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 174.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -100.28 160.39 14.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.725 0.297 . . . . 0.0 110.651 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -97.53 95.44 7.63 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.268 0.556 . . . . 0.0 111.007 -178.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.5 mtt180 -130.85 153.72 48.81 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 176.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.458 ' O ' ' HA ' ' A' ' 35' ' ' ASP . 47.7 mm -91.01 97.41 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.336 0.589 . . . . 0.0 111.399 -175.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -154.48 114.25 3.79 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.828 175.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -105.32 176.08 5.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.075 -177.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -96.44 28.6 3.24 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 175.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.85 133.95 38.06 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.598 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.43 ' HB3' ' HB2' ' A' ' 62' ' ' TYR . 22.6 t70 -71.28 126.82 30.63 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 176.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 m -122.59 120.2 33.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.999 0.428 . . . . 0.0 111.58 -173.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -117.64 119.33 34.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.517 174.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.593 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 1.7 mp -103.42 120.05 52.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 171.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.471 HD22 ' CB ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -138.66 169.4 17.85 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.068 0.461 . . . . 0.0 112.071 -169.785 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -129.45 43.78 3.08 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.392 -0.822 . . . . 0.0 108.826 171.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.51 -100.08 2.42 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.75 -175.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -81.1 17.93 1.16 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.226 0.536 . . . . 0.0 112.105 -173.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.1 tpm_? -143.91 101.32 3.72 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.331 176.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.471 ' CB ' HD22 ' A' ' 23' ' ' LEU . 15.4 ptp180 -93.24 136.46 33.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.408 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.429 ' HB2' ' O ' ' A' ' 22' ' ' ILE . 9.5 m-90 -116.67 94.65 4.69 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.476 170.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -67.46 104.84 1.64 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 175.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.564 HG12 HD12 ' A' ' 22' ' ' ILE . 9.9 p -118.5 166.06 13.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.294 -167.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.4 ' H ' HG22 ' A' ' 31' ' ' VAL . 95.6 mt -96.43 127.01 42.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.2 tp -66.75 139.05 57.79 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -130.73 -28.97 1.97 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -176.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.458 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 4.5 t70 -178.76 170.09 1.59 Allowed 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 169.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.6 p -164.69 148.14 2.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.19 0.519 . . . . 0.0 111.336 -175.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.4 p -139.16 -173.01 3.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.862 177.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.0 tp -90.07 9.46 28.05 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.63 0.729 . . . . 0.0 109.504 176.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.71 ' HD1' ' HA ' ' A' ' 115' ' ' GLU . 6.5 m170 -113.56 -5.29 13.43 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.829 0.824 . . . . 0.0 109.211 -178.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 148.64 -172.2 28.86 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 114.35 -1.295 . . . . 0.0 112.052 -175.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.9 tt -134.48 151.92 32.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -173.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.913 ' HG ' HD12 ' A' ' 82' ' ' LEU . 32.6 tp -130.03 106.6 8.74 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.096 0.474 . . . . 0.0 110.05 -178.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.6 m -113.14 169.02 5.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.973 -178.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 81' ' ' GLY . . . -117.53 111.61 2.27 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.708 -177.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.678 ' HB2' HD12 ' A' ' 83' ' ' LEU . 45.1 tp60 -87.91 133.79 36.71 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -178.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -57.11 -71.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.454 2.103 . . . . 0.0 112.242 177.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -151.26 -53.15 0.13 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.743 0.306 . . . . 0.0 110.728 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -63.9 115.22 4.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.057 -177.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.544 ' HB2' ' HG2' ' A' ' 45' ' ' GLN . 71.9 t-105 -159.52 149.33 18.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.682 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.411 ' OD1' ' HD3' ' A' ' 55' ' ' ARG . 0.7 OUTLIER -75.13 -69.01 0.5 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.868 179.512 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.559 ' O ' ' HD3' ' A' ' 53' ' ' PRO . . . 111.07 8.14 24.15 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 119.987 -1.101 . . . . 0.0 114.254 171.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.59 ' HB2' ' HD3' ' A' ' 55' ' ' ARG . 14.7 m-20 -91.62 110.28 42.24 Favored Pre-proline 0 CA--C 1.516 -0.349 0 CA-C-N 117.398 0.599 . . . . 0.0 110.744 176.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.559 ' HD3' ' O ' ' A' ' 51' ' ' GLY . 23.8 Cg_exo -63.42 -11.12 24.27 Favored 'Trans proline' 0 CA--C 1.529 0.258 0 C-N-CA 122.92 2.413 . . . . 0.0 111.477 171.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -84.61 -13.1 52.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.705 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.59 ' HD3' ' HB2' ' A' ' 52' ' ' ASP . 20.6 mtp180 -95.0 126.71 45.71 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.299 -179.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.42 150.6 46.7 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.65 2.233 . . . . 0.0 112.038 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.449 ' HB3' HG21 ' A' ' 22' ' ' ILE . 64.3 m-85 -135.83 147.97 48.5 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.22 -177.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.593 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 36.1 mt-10 -113.03 133.69 54.86 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -112.17 119.41 38.29 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.825 0.345 . . . . 0.0 110.911 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.53 ' HB3' HD11 ' A' ' 68' ' ' LEU . 17.0 mtm180 -114.54 112.89 23.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.222 174.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.669 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 65.3 mt -100.82 115.27 29.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.123 179.031 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.43 ' HB2' ' HB3' ' A' ' 19' ' ' ASP . 64.0 m-85 -90.54 114.15 26.3 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.074 -177.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -113.12 1.6 15.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.323 0.582 . . . . 0.0 109.733 175.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.98 -165.94 36.32 Favored Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.4 mt -83.38 -39.65 20.4 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 117.179 0.489 . . . . 0.0 110.187 178.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -96.92 -29.21 13.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.182 176.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.2 t -80.39 90.24 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.616 -176.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.53 HD11 ' HB3' ' A' ' 60' ' ' ARG . 65.7 tp -117.86 111.77 19.48 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.037 178.255 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.669 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 56.8 mt -86.98 99.38 8.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.9 ptt180 -98.18 142.48 29.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.089 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.8 ptm -149.02 130.98 15.24 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.626 174.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.465 ' HB2' ' HB3' ' A' ' 89' ' ' HIS . 36.5 mt-10 -91.5 124.71 35.88 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -179.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.662 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 9.2 pt -133.73 160.26 42.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.332 0.587 . . . . 0.0 111.904 -169.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 65.7 m -124.97 137.77 54.25 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.832 171.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.529 ' HB3' ' HA ' ' A' ' 53' ' ' PRO . 60.8 tp -64.59 126.04 26.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.298 -178.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.499 ' HB1' ' HG3' ' A' ' 86' ' ' GLU . . . -103.38 -48.28 4.04 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.946 0.403 . . . . 0.0 110.724 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 42.8 p-90 -151.89 147.34 26.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.514 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -137.78 117.17 12.8 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.245 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -131.59 122.67 26.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.732 -178.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 62.53 -88.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.068 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.407 ' O ' ' HA2' ' A' ' 44' ' ' GLY . . . -128.85 -15.11 2.18 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.324 179.136 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.913 HD12 ' HG ' ' A' ' 42' ' ' LEU . 3.9 mm? -87.3 122.3 30.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.304 0.573 . . . . 0.0 111.163 -176.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.678 HD12 ' HB2' ' A' ' 45' ' ' GLN . 38.7 mt -106.57 116.03 31.23 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.183 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -97.21 118.68 6.14 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.842 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.662 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 91.4 m-85 -114.01 136.56 52.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.399 0.142 . . . . 0.0 110.919 -178.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.499 ' HG3' ' HB1' ' A' ' 76' ' ' ALA . 51.6 mt-10 -85.57 135.01 33.99 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 173.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.515 ' HA ' HG23 ' A' ' 73' ' ' ILE . 26.3 p -81.05 128.65 33.95 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.485 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -105.24 -46.9 4.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.951 0.405 . . . . 0.0 110.685 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.465 ' HB3' ' HB2' ' A' ' 72' ' ' GLU . 53.2 t60 -125.85 114.51 18.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.31 177.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.6 mp -121.87 106.36 17.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 176.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.403 ' O ' HG13 ' A' ' 95' ' ' ILE . 5.3 m-20 -59.69 144.16 48.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.558 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 85.6 mt -61.68 -34.69 76.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.114 0.483 . . . . 0.0 109.753 178.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -62.76 -45.45 92.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.625 174.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 39.1 m -60.79 -43.77 97.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.773 177.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 91' ' ' ASP . 73.0 mt -60.07 -45.17 95.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.37 177.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.481 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 50.5 m -57.45 -50.93 71.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.799 178.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -53.81 -50.86 65.21 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.749 0.309 . . . . 0.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 51.1 tp -63.67 -50.26 69.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.327 -175.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 40.9 ttt85 -66.0 -42.15 90.11 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.5 -175.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 96' ' ' SER . 30.2 mmm180 -63.39 -40.0 96.04 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.221 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.62 -46.68 89.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.714 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.501 HG21 HD13 ' A' ' 112' ' ' LEU . 99.0 t -67.09 -39.73 83.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.275 -179.178 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -66.84 -45.12 79.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.795 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.423 HD13 ' O ' ' A' ' 100' ' ' ARG . 10.8 mp -70.36 -9.87 57.44 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.874 -177.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -111.0 -5.41 14.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.019 176.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 20.0 tp 59.94 43.13 15.17 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.333 0.587 . . . . 0.0 110.609 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -91.29 16.54 58.61 Favored Glycine 0 C--O 1.229 -0.202 0 C-N-CA 120.957 -0.639 . . . . 0.0 113.36 -175.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 68.81 116.55 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.499 0.666 . . . . 0.0 112.14 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -71.9 -20.69 61.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.826 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -59.68 -35.4 74.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.87 -175.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 71.2 mt -65.64 -26.98 68.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.279 -177.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.501 HD13 HG21 ' A' ' 102' ' ' VAL . 87.7 mt -77.44 -12.63 59.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.06 -177.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.4 ' HA ' ' CE1' ' A' ' 39' ' ' HIS . 14.7 mt-10 -127.84 38.28 4.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.897 0.379 . . . . 0.0 111.677 -174.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.79 HH11 ' HG ' ' A' ' 119' ' ' LEU . 33.4 mtt180 -70.21 -100.66 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 167.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.71 ' HA ' ' HD1' ' A' ' 39' ' ' HIS . 9.2 tp10 -179.2 152.81 0.56 Allowed 'General case' 0 C--O 1.22 -0.489 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 171.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.62 -39.35 76.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 119.328 0.967 . . . . 0.0 110.17 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -74.92 -7.35 53.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.357 177.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.612 ' HG ' ' HB3' ' A' ' 115' ' ' GLU . 84.4 mt -105.97 -10.2 16.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 178.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.79 ' HG ' HH11 ' A' ' 114' ' ' ARG . 1.2 mp -90.31 110.32 21.39 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.565 0.698 . . . . 0.0 111.856 -173.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 44.0 t -102.73 151.43 6.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 169.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.507 ' HB2' HD13 ' A' ' 82' ' ' LEU . 40.9 t -61.41 163.24 6.9 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 120.819 0.342 . . . . 0.0 111.64 -176.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -43.34 -38.9 2.88 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.14 166.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -83.51 87.59 7.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.248 174.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -107.6 -20.6 13.18 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 172.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 . . . . . 0 C--O 1.246 0.904 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.409 -176.438 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.2 mtm . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.765 0.317 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 t -153.99 -78.61 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 174.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.476 ' OD1' ' HG3' ' A' ' 4' ' ' GLN . 2.2 p-10 -160.36 -75.18 0.07 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.263 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.476 ' HG3' ' OD1' ' A' ' 3' ' ' ASP . 4.8 pp0? -97.94 178.81 5.0 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 167.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 22.7 p80 -165.56 153.86 11.35 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.231 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -73.48 151.61 40.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.536 170.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -94.14 123.52 37.57 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 175.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 -84.06 88.93 7.19 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.274 0.559 . . . . 0.0 110.278 -176.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.493 ' C ' ' HD2' ' A' ' 10' ' ' ARG . 99.3 mtt180 -92.33 101.6 14.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.792 -175.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.493 ' HD2' ' C ' ' A' ' 9' ' ' ARG . 3.2 mpt_? -117.87 -101.3 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 175.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -77.08 125.13 28.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.926 0.393 . . . . 0.0 109.968 177.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 42.6 p-80 -147.3 71.82 1.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.203 -178.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.61 HH21 ' HA ' ' A' ' 125' ' ' ASP . 5.4 mpt_? 60.35 -164.75 0.22 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.486 -174.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.684 ' O ' ' HA ' ' A' ' 35' ' ' ASP . 50.4 mm -92.27 89.2 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 C-N-CA 119.381 -0.927 . . . . 0.0 109.467 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.14 102.99 2.99 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.555 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -86.57 161.09 18.72 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -82.32 84.09 7.24 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 174.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.19 145.39 47.66 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.597 -174.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.418 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 7.7 m-20 -67.88 120.14 13.69 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 176.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.2 m -112.78 109.22 18.56 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.845 0.355 . . . . 0.0 110.818 -176.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -111.47 122.95 49.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.988 0.423 . . . . 0.0 111.167 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.466 HD11 HG13 ' A' ' 43' ' ' VAL . 1.8 mp -96.87 113.35 31.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 172.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.514 ' HB2' ' HB2' ' A' ' 58' ' ' GLU . 40.9 mt -94.61 137.91 33.13 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.632 -175.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.448 ' HB3' ' HZ3' ' A' ' 29' ' ' TRP . 8.6 tt0 -116.05 79.06 1.25 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 170.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.38 -83.54 0.76 Allowed Glycine 0 N--CA 1.443 -0.837 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.387 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -117.23 -5.63 11.33 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -174.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -114.17 152.34 31.33 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 121.151 -0.22 . . . . 0.0 110.489 -176.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -125.36 127.93 47.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.268 0.556 . . . . 0.0 111.798 -171.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.448 ' HZ3' ' HB3' ' A' ' 24' ' ' GLN . 10.9 m-90 -109.8 99.62 8.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.869 176.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -77.17 115.47 16.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.149 176.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.496 HG21 ' H ' ' A' ' 32' ' ' LEU . 9.8 p -136.93 169.58 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.727 -171.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.496 ' H ' HG21 ' A' ' 31' ' ' VAL . 55.1 tp -90.42 137.11 32.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.839 0.352 . . . . 0.0 111.028 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.9 tp -85.19 152.7 23.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.518 178.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -128.45 -38.46 1.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.777 -0.192 . . . . 0.0 111.478 176.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.684 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 10.8 t70 -164.65 157.65 17.05 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 174.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.6 p -156.94 138.88 5.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.888 0.375 . . . . 0.0 110.726 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.6 m -148.0 -169.38 3.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.074 0.464 . . . . 0.0 110.878 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 62.5 tp -69.75 -21.38 63.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.734 0.778 . . . . 0.0 111.287 -176.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -111.85 14.5 21.0 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.564 -171.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.434 ' HA3' HD13 ' A' ' 116' ' ' LEU . . . 149.92 177.79 24.27 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 119.616 -1.278 . . . . 0.0 113.714 177.267 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.7 tt -143.45 135.59 23.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.061 -0.57 . . . . 0.0 109.974 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.663 HD11 ' HB3' ' A' ' 82' ' ' LEU . 34.6 tp -109.5 116.35 31.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.66 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.466 HG13 HD11 ' A' ' 22' ' ' ILE . 34.3 m -114.7 162.88 12.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.508 178.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -118.8 99.32 0.77 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.787 -177.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.416 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 8.7 tt0 -117.57 122.33 30.96 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 177.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 45' ' ' GLN . 23.7 Cg_exo -64.18 -17.2 58.85 Favored 'Trans proline' 0 CA--C 1.529 0.238 0 C-N-CA 122.83 2.353 . . . . 0.0 113.179 -177.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -99.14 128.51 45.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.847 0.356 . . . . 0.0 110.859 -178.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -89.3 100.19 13.03 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -89.44 173.98 8.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.713 -178.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -149.32 81.51 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.307 0.575 . . . . 0.0 111.09 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.8 -22.37 28.5 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 168.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.411 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 0.3 OUTLIER 87.66 145.1 0.06 OUTLIER Pre-proline 0 CA--C 1.52 -0.201 0 C-N-CA 125.041 1.336 . . . . 0.0 109.934 178.001 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.462 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 52.8 Cg_exo -56.2 -0.6 0.22 Allowed 'Trans proline' 0 N--CA 1.476 0.475 0 C-N-CA 123.778 2.985 . . . . 0.0 114.665 -177.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -91.32 -6.25 53.38 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.217 -0.302 . . . . 0.0 110.565 177.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -84.55 125.9 70.34 Favored Pre-proline 0 C--O 1.234 0.24 0 CA-C-O 120.694 0.283 . . . . 0.0 110.801 176.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -74.13 128.69 12.42 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.33 2.02 . . . . 0.0 111.528 175.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.477 ' CE2' ' HB2' ' A' ' 75' ' ' LEU . 43.6 m-85 -123.19 154.4 38.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.145 -178.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.514 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 43.8 mt-10 -117.42 138.3 51.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.782 0.325 . . . . 0.0 111.001 177.263 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.496 ' HB2' HD13 ' A' ' 73' ' ' ILE . . . -106.06 117.35 33.81 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.169 175.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -113.59 110.87 20.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.952 178.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.558 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 88.8 mt -106.37 116.45 31.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.385 -178.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.418 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 61.3 m-85 -101.04 102.31 13.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.156 -177.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -88.89 -9.39 51.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.607 0.717 . . . . 0.0 109.272 175.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 177.34 -169.47 41.67 Favored Glycine 0 N--CA 1.442 -0.958 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 178.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.4 tp -80.5 -29.73 37.3 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 117.556 0.678 . . . . 0.0 110.009 177.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -97.35 -31.99 12.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.514 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.3 t -88.61 99.24 8.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.658 -177.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 65.6 tp -119.03 126.53 51.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.722 -178.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.558 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 60.2 mt -113.41 135.84 51.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 175.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -145.79 146.88 31.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.197 0.523 . . . . 0.0 111.636 -175.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -152.94 141.58 20.91 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.186 173.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -81.84 111.91 18.49 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 174.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.522 HG22 ' HA ' ' A' ' 87' ' ' CYS . 23.3 pt -110.65 166.23 5.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.469 0.652 . . . . 0.0 111.572 -172.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.2 p -127.53 133.46 49.81 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.367 -0.833 . . . . 0.0 108.893 173.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.477 ' HB2' ' CE2' ' A' ' 57' ' ' PHE . 63.8 tp -58.74 119.87 7.92 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 177.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -101.44 -50.72 3.66 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.149 -178.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 -157.65 144.97 18.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.147 0.499 . . . . 0.0 111.816 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -122.17 113.43 19.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.175 173.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -120.91 96.99 5.33 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.681 0.277 . . . . 0.0 111.588 -174.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.3 t70 62.36 10.07 3.69 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 168.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 132.7 -22.97 4.04 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.443 -0.884 . . . . 0.0 111.919 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.663 ' HB3' HD11 ' A' ' 42' ' ' LEU . 95.1 mt -93.21 113.18 25.32 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 175.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.1 mp -108.55 119.76 40.47 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.972 0.415 . . . . 0.0 110.918 -178.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -103.2 114.72 4.94 Favored Glycine 0 N--CA 1.439 -1.158 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.447 178.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.41 ' CG ' HD11 ' A' ' 73' ' ' ILE . 84.4 m-85 -100.0 141.69 32.47 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.075 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -93.92 125.49 38.57 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 178.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.522 ' HA ' HG22 ' A' ' 73' ' ' ILE . 78.0 m -74.19 108.67 7.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.526 178.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -81.92 -61.86 1.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 37.3 t60 -116.82 108.49 15.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.285 178.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.401 HD13 ' N ' ' A' ' 90' ' ' ILE . 3.3 mp -99.47 125.35 53.06 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 174.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.465 ' HB3' ' HB2' ' A' ' 94' ' ' SER . 27.5 t70 -60.74 144.05 53.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 123.046 0.216 . . . . 0.0 110.605 -178.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.5 mp -58.94 -41.8 88.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.135 -176.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -73.93 -29.13 61.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.351 0.596 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.465 ' HB2' ' HB3' ' A' ' 91' ' ' ASP . 23.1 t -62.51 -43.93 97.61 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.586 174.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 67.8 mt -65.56 -47.08 87.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.104 178.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.466 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 33.2 p -62.64 -42.91 99.86 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.566 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -58.87 -48.26 82.01 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.649 0.261 . . . . 0.0 110.675 176.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.06 -47.66 84.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.399 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.56 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 2.7 tpt180 -63.02 -48.17 79.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.331 -178.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 96' ' ' SER . 29.1 mmm180 -64.97 -34.92 79.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.825 0.345 . . . . 0.0 110.711 -178.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 45.8 tp -61.04 -42.7 98.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.776 175.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.802 HG21 HD13 ' A' ' 112' ' ' LEU . 42.0 t -58.83 -41.92 84.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.054 176.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.56 ' HG2' ' O ' ' A' ' 99' ' ' ARG . 5.1 mm-40 -61.82 -35.11 77.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.057 0.455 . . . . 0.0 110.346 179.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 94.6 mt -79.46 -42.28 25.69 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.167 -174.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 34.2 p30 -98.16 -2.23 40.38 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.7 -176.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 9.3 mp 63.39 30.58 15.45 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 123.611 0.569 . . . . 0.0 112.243 178.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.438 ' O ' HG11 ' A' ' 102' ' ' VAL . . . -75.28 70.94 1.82 Allowed Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 172.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -36.27 138.39 0.21 Allowed 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -169.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.471 ' O ' ' HG2' ' A' ' 113' ' ' GLU . 14.1 pt-20 -66.16 -12.44 55.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.145 -1.389 . . . . 0.0 112.91 -172.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.63 -38.23 71.81 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.313 0.578 . . . . 0.0 109.877 178.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.506 ' HB3' ' NH1' ' A' ' 114' ' ' ARG . 46.7 mt -72.44 -27.54 62.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.58 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.802 HD13 HG21 ' A' ' 102' ' ' VAL . 96.0 mt -77.21 -19.28 56.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.608 179.107 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 66.8 mm-40 -100.86 18.38 19.68 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.682 -173.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.725 HH21 ' HA ' ' A' ' 119' ' ' LEU . 57.9 mtm-85 -79.14 -160.52 0.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 175.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.593 ' O ' HD12 ' A' ' 119' ' ' LEU . 0.5 OUTLIER -117.21 158.35 24.44 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 173.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.448 ' H ' ' CD ' ' A' ' 115' ' ' GLU . 59.5 tp -57.93 -34.03 69.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 118.133 0.424 . . . . 0.0 110.278 178.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -72.68 -11.06 60.48 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.614 175.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 68.9 mt -105.37 -0.1 26.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.385 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.725 ' HA ' HH21 ' A' ' 114' ' ' ARG . 5.9 mp -90.22 91.93 8.72 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.158 0.504 . . . . 0.0 109.842 179.075 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 8.9 t -107.77 163.15 5.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.47 -178.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.0 p -74.59 171.79 13.21 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.83 0.348 . . . . 0.0 111.311 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.44 5.75 0.95 Allowed 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -172.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -91.1 0.02 57.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.358 0.599 . . . . 0.0 109.949 178.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -129.1 -166.58 1.66 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.476 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.61 ' HA ' HH21 ' A' ' 13' ' ' ARG . 36.1 t70 . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.164 -0.922 . . . . 0.0 109.71 176.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 tpt . . . . . 0 N--CA 1.478 0.97 0 CA-C-O 120.823 0.344 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 p -142.12 78.8 1.64 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.245 0.545 . . . . 0.0 111.248 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -152.21 119.62 5.99 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.18 177.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -84.94 117.39 23.91 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -103.82 -67.16 0.91 Allowed 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.326 176.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -122.32 -4.61 8.88 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.508 0.67 . . . . 0.0 109.782 -179.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -76.41 70.64 3.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.925 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -79.64 96.33 6.16 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.591 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -67.93 151.21 47.47 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.662 -175.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.478 ' HA ' ' HD3' ' A' ' 10' ' ' ARG . 11.2 mmt180 -72.83 125.4 27.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.189 0.518 . . . . 0.0 110.703 -174.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 34.1 p90 -81.42 13.63 2.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.392 -173.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -77.13 83.71 3.62 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 173.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.551 ' HG2' ' H ' ' A' ' 14' ' ' ILE . 23.8 ttp-105 -109.15 -171.06 1.77 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.479 -175.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.551 ' H ' ' HG2' ' A' ' 13' ' ' ARG . 32.1 mm -78.58 89.39 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.329 0.585 . . . . 0.0 110.54 -177.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -156.52 93.13 1.36 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.545 177.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -91.67 153.65 19.54 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.833 -178.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -77.28 78.74 3.8 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 171.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.81 138.19 53.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.599 -174.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.523 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 4.6 m-20 -63.51 117.76 7.19 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 176.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.0 m -115.39 113.25 23.51 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.91 0.386 . . . . 0.0 110.401 -177.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -117.79 125.01 49.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.21 178.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.472 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 80.5 mt -96.93 118.92 44.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 174.178 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.66 HD21 ' HG2' ' A' ' 28' ' ' ARG . 31.0 mt -106.84 153.07 23.04 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.039 0.447 . . . . 0.0 110.99 -174.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.498 ' NE2' ' HB3' ' A' ' 55' ' ' ARG . 55.4 tt0 -149.82 89.21 1.59 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.233 170.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.32 -83.81 0.43 Allowed Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.464 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -111.98 -27.55 8.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.92 0.39 . . . . 0.0 111.109 -177.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -86.88 138.17 31.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.882 0.372 . . . . 0.0 111.434 -170.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.66 ' HG2' HD21 ' A' ' 23' ' ' LEU . 52.1 mtt180 -125.14 111.26 15.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.663 -176.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 25.8 m-90 -98.49 106.01 18.23 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.281 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -71.99 110.78 6.71 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 172.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.4 p -126.15 153.8 34.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.027 0.442 . . . . 0.0 111.542 -171.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.56 139.4 30.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.03 176.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.0 tp -80.33 143.09 33.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.093 -177.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -116.03 -38.92 3.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.622 176.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -175.41 165.54 3.26 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 177.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.0 p -162.15 147.07 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.048 0.451 . . . . 0.0 110.995 178.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.1 p -145.16 -167.97 2.82 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.277 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.1 tp -87.78 12.72 12.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.859 0.838 . . . . 0.0 109.229 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.58 ' ND1' ' HA ' ' A' ' 115' ' ' GLU . 10.5 m170 -110.58 -13.21 14.26 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.657 178.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.456 ' HA3' ' O ' ' A' ' 85' ' ' PHE . . . 144.98 -158.56 27.67 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 114.663 -1.153 . . . . 0.0 112.304 -175.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.8 tt -140.73 148.35 21.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.83 0.347 . . . . 0.0 110.851 -172.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.452 HD11 ' HB3' ' A' ' 82' ' ' LEU . 56.3 tp -121.24 121.49 37.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.338 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.444 HG23 HD13 ' A' ' 22' ' ' ILE . 22.1 m -132.03 -177.26 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.599 178.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.475 ' O ' ' HD3' ' A' ' 46' ' ' PRO . . . -107.45 171.0 16.01 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.998 179.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -112.0 92.27 17.68 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-O 120.817 0.341 . . . . 0.0 110.679 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.475 ' HD3' ' O ' ' A' ' 44' ' ' GLY . 2.5 Cg_endo -88.63 -68.59 0.01 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 123.247 2.631 . . . . 0.0 113.403 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.5 mp0 -84.21 -167.48 1.78 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.832 0.349 . . . . 0.0 111.126 -174.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -64.55 126.23 27.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.474 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.421 ' HH2' HG21 ' A' ' 22' ' ' ILE . 75.4 t-105 -135.5 137.66 42.33 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.029 -173.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -62.47 -57.34 11.56 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.865 0.364 . . . . 0.0 110.845 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.53 26.95 40.78 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.146 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.52 ' OD1' ' HB3' ' A' ' 54' ' ' GLN . 16.0 t0 -113.57 116.69 45.7 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 -178.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.423 ' HA ' ' HB3' ' A' ' 75' ' ' LEU . 42.9 Cg_endo -68.48 -6.19 17.03 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.92 2.413 . . . . 0.0 112.535 -178.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.52 ' HB3' ' OD1' ' A' ' 52' ' ' ASP . 53.1 tp60 -78.29 -11.5 59.94 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.377 0.608 . . . . 0.0 109.569 175.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.498 ' HB3' ' NE2' ' A' ' 24' ' ' GLN . 7.9 mmt180 -93.2 113.18 59.28 Favored Pre-proline 0 N--CA 1.449 -0.492 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.989 -177.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.495 ' HD3' ' O ' ' A' ' 54' ' ' GLN . 17.5 Cg_exo -65.61 137.4 50.08 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.571 2.181 . . . . 0.0 110.866 169.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -126.76 161.65 27.66 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.789 0.328 . . . . 0.0 110.86 -177.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.515 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 42.8 mt-10 -120.67 148.74 43.53 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 178.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -124.97 124.26 41.63 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.134 0.493 . . . . 0.0 111.819 -178.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.435 ' HD3' ' OH ' ' A' ' 62' ' ' TYR . 94.0 mtt180 -105.36 119.4 38.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.073 173.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.839 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 97.7 mt -113.13 109.46 18.83 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 174.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.523 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 46.9 m-85 -92.33 109.18 20.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.839 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.404 ' HG ' HD21 ' A' ' 101' ' ' LEU . 3.6 mm? -105.65 -6.9 18.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.369 0.604 . . . . 0.0 109.87 175.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -178.66 -158.42 21.19 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.101 -179.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 65' ' ' LEU . 4.5 mp -81.82 -50.85 8.74 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -101.11 -11.65 19.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.438 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.7 t -90.04 84.28 2.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.727 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.2 tt -123.19 137.05 54.99 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.733 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.839 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 75.0 mt -107.83 113.87 44.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.951 177.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 70' ' ' ARG . 41.9 ttm105 -110.21 114.92 28.79 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.158 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 18.6 ptm -137.93 116.69 12.27 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.92 -177.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -71.0 134.93 47.54 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 174.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.587 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 9.2 pt -130.08 150.61 34.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.475 0.655 . . . . 0.0 111.84 -172.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.3 m -108.31 122.46 47.01 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.311 175.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.423 ' HB3' ' HA ' ' A' ' 53' ' ' PRO . 55.5 tp -60.96 110.49 1.36 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 178.058 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -89.39 -44.76 9.96 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.823 -175.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 60.3 p-90 -156.58 158.2 36.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.317 0.58 . . . . 0.0 111.517 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -139.68 105.44 5.15 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.324 -0.853 . . . . 0.0 108.829 177.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -117.86 105.51 12.01 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.71 -173.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.4 t70 62.82 -87.97 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.48 -178.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -124.89 6.65 8.31 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.963 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.452 ' HB3' HD11 ' A' ' 42' ' ' LEU . 59.4 mt -106.23 122.05 45.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.936 0.398 . . . . 0.0 110.872 -177.153 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 80.4 mt -104.09 114.87 29.42 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.027 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.97 121.92 6.73 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.113 -179.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.587 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 75.2 m-85 -115.47 145.39 42.64 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.7 0.286 . . . . 0.0 110.625 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -95.77 138.42 33.44 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 174.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 12.7 p -71.98 111.71 7.46 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.018 0.437 . . . . 0.0 110.167 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -87.81 -49.8 6.87 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.361 -176.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -147.74 138.23 23.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.315 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 27.1 mt -134.24 132.76 55.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.775 0.322 . . . . 0.0 110.551 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.456 ' O ' HG13 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -66.29 136.39 55.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.566 176.806 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.2 mp -61.52 -35.44 77.71 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -175.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -66.9 -43.08 84.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.107 0.48 . . . . 0.0 109.767 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.513 ' HB3' HG22 ' A' ' 69' ' ' ILE . 41.6 m -58.5 -44.37 89.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.465 174.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 91' ' ' ASP . 77.5 mt -57.8 -44.37 85.98 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.152 175.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.1 m -62.15 -36.17 81.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.058 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -67.27 -51.3 54.52 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 176.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.21 -47.01 84.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.382 -178.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.414 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 51.7 ttt-85 -53.47 -58.08 8.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.224 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 -66.46 -36.28 82.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.649 -176.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.47 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 63.4 tp -57.52 -49.88 74.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.694 179.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.561 HG21 HD12 ' A' ' 112' ' ' LEU . 85.9 t -66.42 -38.81 82.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.386 -178.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.694 ' HA ' ' HA2' ' A' ' 107' ' ' GLY . 50.5 mt-10 -59.25 -47.84 83.84 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.794 0.331 . . . . 0.0 110.722 178.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.51 -13.66 59.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.47 ' HB2' ' O ' ' A' ' 101' ' ' LEU . 10.5 t-20 -83.18 -29.37 28.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.123 0.487 . . . . 0.0 110.95 -177.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 44.9 tp -176.53 -33.46 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.295 -0.866 . . . . 0.0 108.682 -178.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.694 ' HA2' ' HA ' ' A' ' 103' ' ' GLU . . . 87.24 7.98 75.77 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 114.975 -1.012 . . . . 0.0 113.069 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.417 ' OD2' ' HG ' ' A' ' 111' ' ' LEU . 16.9 t70 -85.12 110.58 19.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.962 0.411 . . . . 0.0 110.234 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -89.11 -8.43 53.83 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.783 -178.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -70.53 -39.11 74.26 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.473 HD23 ' HG3' ' A' ' 13' ' ' ARG . 84.2 mt -57.54 -34.23 68.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.413 174.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.561 HD12 HG21 ' A' ' 102' ' ' VAL . 87.4 mt -78.96 -14.09 59.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.759 0.314 . . . . 0.0 111.085 -178.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -127.83 37.18 4.23 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.246 0.546 . . . . 0.0 110.677 -172.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -75.85 -98.18 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 171.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.682 ' O ' HD12 ' A' ' 119' ' ' LEU . 0.1 OUTLIER -178.4 154.37 0.8 Allowed 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 171.457 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 61.2 tp -59.29 -37.78 78.54 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 177.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.5 -18.2 63.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.378 175.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 82.3 mt -101.6 2.55 39.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.558 -178.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.682 HD12 ' O ' ' A' ' 115' ' ' GLU . 5.7 mp -93.66 114.65 27.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.11 0.481 . . . . 0.0 109.896 178.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.475 HG13 ' H ' ' A' ' 121' ' ' SER . 6.4 t -111.08 167.51 4.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.232 -174.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.475 ' H ' HG13 ' A' ' 120' ' ' VAL . 75.5 m -82.9 172.09 13.19 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.083 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -43.57 -40.56 4.06 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.641 176.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -118.84 149.99 40.59 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.884 -0.414 . . . . 0.0 109.884 174.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -97.67 -29.39 13.43 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 172.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 28.2 t70 . . . . . 0 C--O 1.247 0.972 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.171 176.462 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.467 ' HE3' ' OD2' ' A' ' 6' ' ' ASP . 1.9 mpt? . . . . . 0 N--CA 1.482 1.128 0 CA-C-O 120.884 0.373 . . . . 0.0 111.26 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.2 t -89.18 -23.59 22.37 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 167.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -82.84 -170.1 2.83 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 114.731 -1.122 . . . . 0.0 108.58 172.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -82.03 -66.1 0.93 Allowed 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.906 -178.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.774 ' HB3' ' HG3' ' A' ' 7' ' ' GLU . 51.0 m170 -135.84 168.29 19.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.353 0.597 . . . . 0.0 111.935 -175.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.467 ' OD2' ' HE3' ' A' ' 1' ' ' MET . 4.9 m-20 -122.86 37.41 4.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.131 174.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.774 ' HG3' ' HB3' ' A' ' 5' ' ' HIS . 39.4 mt-10 -64.17 140.15 58.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.003 -176.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.0 ptt85 -86.26 162.33 18.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.82 -174.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -64.92 130.22 42.6 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 171.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.5 mtm105 -63.55 -44.28 94.6 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -174.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.424 ' HE2' HG23 ' A' ' 14' ' ' ILE . 16.0 t80 -137.01 113.64 10.24 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.68 0.276 . . . . 0.0 110.267 -177.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.893 ' HE1' ' HB3' ' A' ' 125' ' ' ASP . 8.2 t60 -75.46 -58.0 3.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.3 -175.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -148.54 155.46 41.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.535 -173.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.424 HG23 ' HE2' ' A' ' 11' ' ' PHE . 20.1 pt -85.64 121.02 36.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.212 0.529 . . . . 0.0 111.709 -177.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.46 86.72 1.35 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.222 172.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.98 143.73 35.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.835 -178.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -86.64 90.03 8.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.231 0.538 . . . . 0.0 110.634 -178.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -107.04 145.05 32.81 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.386 176.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.524 ' HB3' ' HB2' ' A' ' 62' ' ' TYR . 13.9 t70 -66.92 115.97 7.25 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.6 m -115.95 125.86 53.11 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.737 -170.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -134.93 132.93 39.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.911 171.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.681 HD13 HG12 ' A' ' 31' ' ' VAL . 1.5 mp -97.38 129.0 48.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.43 178.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.768 HD23 ' HG2' ' A' ' 28' ' ' ARG . 26.5 mt -108.88 148.68 30.26 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.727 -175.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.22 50.25 1.32 Allowed 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 169.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.23 -80.92 0.83 Allowed Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.838 -175.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -85.39 -31.77 22.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.938 0.399 . . . . 0.0 111.023 -177.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -97.38 145.09 26.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 -173.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.768 ' HG2' HD23 ' A' ' 23' ' ' LEU . 40.4 mtp180 -132.05 125.2 30.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.484 -174.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 -127.35 108.16 10.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.915 0.388 . . . . 0.0 111.415 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -64.91 124.96 23.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.975 175.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.681 HG12 HD13 ' A' ' 22' ' ' ILE . 9.8 p -131.31 164.1 35.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.846 0.355 . . . . 0.0 111.123 -171.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 mp -97.55 125.11 42.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.55 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.1 tp -79.36 146.93 32.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.454 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -129.68 -38.43 1.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.544 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.495 ' OD2' ' HG ' ' A' ' 119' ' ' LEU . 6.2 t70 -165.77 167.45 16.98 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.5 p -165.14 140.01 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.891 0.377 . . . . 0.0 110.411 -177.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.409 ' HB3' ' O ' ' A' ' 112' ' ' LEU . 50.5 m -152.52 -170.03 3.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.611 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.439 ' HG ' ' HB3' ' A' ' 112' ' ' LEU . 21.2 mt -74.08 -9.2 58.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.453 0.644 . . . . 0.0 110.449 -178.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.404 ' ND1' ' HA ' ' A' ' 115' ' ' GLU . 11.0 m170 -93.36 -23.99 18.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.113 -175.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.63 ' HA2' ' HB2' ' A' ' 87' ' ' CYS . . . 157.77 -145.03 11.19 Favored Glycine 0 N--CA 1.44 -1.042 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.658 -175.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.2 tt -154.94 144.65 13.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 120.794 0.331 . . . . 0.0 110.519 -173.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.523 HD22 ' O ' ' A' ' 119' ' ' LEU . 35.7 tp -115.95 117.06 29.09 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.113 0.483 . . . . 0.0 110.365 177.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.427 HG22 ' HB2' ' A' ' 83' ' ' LEU . 30.7 m -123.05 175.45 5.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.731 175.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -127.5 132.91 7.68 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.362 -178.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.581 ' HB3' HD12 ' A' ' 83' ' ' LEU . 3.7 pt20 -84.63 120.58 74.24 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-O 120.915 0.388 . . . . 0.0 110.719 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -93.95 3.88 2.96 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 123.117 2.545 . . . . 0.0 112.065 176.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.488 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 50.8 tp60 -157.09 175.58 13.88 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -174.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.488 ' H ' ' HG3' ' A' ' 47' ' ' GLN . 20.4 t70 -59.18 142.93 50.45 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.314 0.384 . . . . 0.0 110.529 177.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 61.5 t-105 -94.15 153.25 18.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.162 0.506 . . . . 0.0 111.569 -172.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -135.63 138.76 43.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.808 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.467 ' O ' ' HB2' ' A' ' 52' ' ' ASP . . . 111.29 -51.6 0.69 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.302 178.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.614 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 2.9 m-20 73.97 164.86 0.14 Allowed Pre-proline 0 N--CA 1.47 0.543 0 C-N-CA 122.906 0.482 . . . . 0.0 111.403 177.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.614 ' HD2' ' HB3' ' A' ' 52' ' ' ASP . 55.9 Cg_endo -69.39 31.42 0.18 Allowed 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.383 2.722 . . . . 0.0 113.714 -177.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.442 ' H ' ' C ' ' A' ' 52' ' ' ASP . 23.5 mt-30 -124.73 -23.75 4.28 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.843 0.354 . . . . 0.0 110.708 177.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.42 ' HD3' ' O ' ' A' ' 51' ' ' GLY . 60.3 mtp180 -108.95 118.21 52.02 Favored Pre-proline 0 N--CA 1.449 -0.521 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.335 -175.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_exo -50.51 142.07 31.64 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 123.976 3.117 . . . . 0.0 114.073 -176.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.46 ' CD1' ' HE1' ' A' ' 85' ' ' PHE . 61.7 m-85 -123.94 143.98 50.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.923 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.496 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 42.9 mt-10 -104.27 137.88 41.54 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -107.17 117.05 33.05 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.789 0.328 . . . . 0.0 111.246 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.6 mtt180 -103.98 107.62 18.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.245 173.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 1.004 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 90.8 mt -105.41 102.88 12.33 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.035 177.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.524 ' HB2' ' HB3' ' A' ' 19' ' ' ASP . 70.5 m-85 -80.93 106.88 13.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.991 179.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.404 HD22 HG13 ' A' ' 67' ' ' VAL . 45.4 tp -102.86 -23.02 13.78 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.248 0.547 . . . . 0.0 109.875 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -159.84 -159.22 9.65 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.049 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.8 tp -82.16 -43.11 18.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.88 0.371 . . . . 0.0 110.139 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -104.89 -13.58 15.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.512 177.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.404 HG13 HD22 ' A' ' 63' ' ' LEU . 31.7 t -90.67 86.11 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-O 121.321 0.581 . . . . 0.0 110.568 -178.237 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.9 tp -109.89 116.01 30.85 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.794 176.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 1.004 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 58.3 mt -83.84 104.0 11.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.813 177.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 70' ' ' ARG . 16.7 ttt-85 -108.1 111.11 22.98 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.524 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.6 ptp -130.26 136.42 49.17 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 174.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.523 ' HB2' ' HB3' ' A' ' 89' ' ' HIS . 89.6 mt-10 -95.0 115.86 27.97 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.516 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 8.7 pt -115.59 153.65 17.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.659 -168.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.3 p -114.48 118.88 35.04 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.548 176.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.589 ' HB3' ' HA ' ' A' ' 53' ' ' PRO . 55.1 tp -57.97 115.07 2.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.95 0.405 . . . . 0.0 110.608 -178.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -91.12 -50.8 5.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.839 -175.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 66.2 p-90 -145.26 147.43 32.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.576 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -143.84 113.25 6.94 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.381 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -156.81 144.28 19.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.675 0.274 . . . . 0.0 111.196 -179.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 59.85 24.34 13.37 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.167 171.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.69 -19.21 55.65 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.723 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.7 mt -86.96 129.21 34.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.984 0.421 . . . . 0.0 110.831 -178.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.581 HD12 ' HB3' ' A' ' 45' ' ' GLN . 75.6 mt -114.52 110.65 20.15 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.217 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -104.19 113.04 4.3 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.959 -0.638 . . . . 0.0 111.884 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.516 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 54.4 m-85 -104.4 141.18 36.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.924 0.392 . . . . 0.0 110.621 -179.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -87.28 127.06 35.18 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 174.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.699 ' SG ' HG12 ' A' ' 90' ' ' ILE . 3.2 t -71.85 101.02 2.53 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.187 0.518 . . . . 0.0 109.635 -179.279 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.753 HE21 ' HA ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -85.3 -61.51 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.798 -171.872 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.523 ' HB3' ' HB2' ' A' ' 72' ' ' GLU . 10.7 t-160 -118.18 98.38 6.27 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.441 -179.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.699 HG12 ' SG ' ' A' ' 87' ' ' CYS . 1.1 mt -92.24 114.36 29.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.457 ' O ' HG12 ' A' ' 95' ' ' ILE . 21.3 t70 -71.79 143.41 49.54 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 -178.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.0 mp -54.16 -35.41 62.24 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.644 0.59 . . . . 0.0 111.781 -176.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -66.22 -39.26 89.46 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.382 0.61 . . . . 0.0 110.295 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.6 m -73.82 -27.42 61.1 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.81 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.457 HG12 ' O ' ' A' ' 91' ' ' ASP . 42.2 mm -57.57 -46.67 86.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 172.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.0 t -67.53 -43.15 81.47 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.293 -178.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -60.86 -53.47 56.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.345 -178.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 54.9 tp -64.4 -50.58 67.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 -175.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -63.42 -48.64 76.93 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.708 -176.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 100' ' ' ARG . 48.4 mtt-85 -69.72 -28.14 65.56 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -174.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 55.1 tp -67.0 -41.03 87.41 Favored 'General case' 0 C--O 1.22 -0.479 0 C-N-CA 120.155 -0.618 . . . . 0.0 109.775 174.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.715 HG23 HD11 ' A' ' 112' ' ' LEU . 93.3 t -70.21 -41.24 78.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.782 0.325 . . . . 0.0 110.705 178.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -67.29 -58.01 5.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.48 -178.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.86 -23.68 66.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.951 0.405 . . . . 0.0 112.026 -174.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -101.54 4.29 40.91 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.061 0.458 . . . . 0.0 110.279 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 54.8 42.99 30.74 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.659 177.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -82.85 -1.64 90.62 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 121.162 -0.542 . . . . 0.0 113.032 -178.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.501 ' OD2' ' HB2' ' A' ' 110' ' ' GLU . 14.3 t70 73.82 129.07 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.472 0.709 . . . . 0.0 111.555 177.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -74.69 -25.43 59.15 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -174.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.501 ' HB2' ' OD2' ' A' ' 108' ' ' ASP . 0.6 OUTLIER -63.48 -24.19 67.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.758 0.313 . . . . 0.0 111.589 -173.722 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.504 ' HB3' HH11 ' A' ' 114' ' ' ARG . 72.6 mt -76.01 -21.98 56.3 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.027 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.715 HD11 HG23 ' A' ' 102' ' ' VAL . 94.2 mt -80.7 -13.92 58.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.083 0.468 . . . . 0.0 110.352 178.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -120.87 31.9 6.21 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.803 -173.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.57 HH21 ' HA ' ' A' ' 119' ' ' LEU . 64.9 mtm-85 -75.4 -88.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 175.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.71 ' O ' HD12 ' A' ' 119' ' ' LEU . 0.8 OUTLIER 175.93 158.3 0.25 Allowed 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 106.494 -1.669 . . . . 0.0 106.494 173.271 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 63.9 tp -63.46 -35.56 80.85 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 118.872 0.76 . . . . 0.0 109.823 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -79.88 -3.11 46.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.089 0.471 . . . . 0.0 110.888 175.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 49.3 mt -107.6 7.09 28.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.601 0.715 . . . . 0.0 110.057 175.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.71 HD12 ' O ' ' A' ' 115' ' ' GLU . 4.9 mp -101.11 91.18 4.42 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 172.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.868 HG21 ' H ' ' A' ' 121' ' ' SER . 7.4 p -108.33 -171.68 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.781 -170.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.868 ' H ' HG21 ' A' ' 120' ' ' VAL . 47.3 m -72.16 172.08 10.83 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 122.777 0.431 . . . . 0.0 111.23 -176.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -50.59 -41.86 55.03 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.374 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -74.24 92.66 2.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.038 0.447 . . . . 0.0 110.163 174.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -111.5 -37.98 5.07 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.545 174.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.893 ' HB3' ' HE1' ' A' ' 12' ' ' HIS . 24.4 t70 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.373 -0.822 . . . . 0.0 109.901 172.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -75.14 113.56 12.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.665 0.269 . . . . 0.0 110.375 176.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -92.7 141.23 28.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.978 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -87.43 -79.61 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 121.041 -0.264 . . . . 0.0 111.155 -178.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.2 p80 -179.81 155.42 0.63 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 0.0 110.941 -176.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.438 ' O ' ' HB2' ' A' ' 7' ' ' GLU . 19.5 t0 -78.49 170.66 16.28 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.939 -0.764 . . . . 0.0 108.939 170.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 6' ' ' ASP . 58.9 mm-40 70.84 96.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.773 0.797 . . . . 0.0 111.472 -178.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.2 ttp85 -116.93 -26.05 7.02 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.663 177.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.481 ' HD3' ' O ' ' A' ' 11' ' ' PHE . 1.3 ptp180 -112.77 140.42 47.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.583 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.7 ptt85 -93.34 11.34 28.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.974 0.416 . . . . 0.0 111.317 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.481 ' O ' ' HD3' ' A' ' 9' ' ' ARG . 56.9 m-85 -110.73 121.81 46.27 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 177.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -123.69 -59.59 1.52 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.971 0.415 . . . . 0.0 110.745 -177.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -142.95 163.41 32.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.589 -176.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.8 pt -103.05 89.07 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.787 0.803 . . . . 0.0 110.463 174.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.38 100.24 6.92 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.35 -0.841 . . . . 0.0 108.863 176.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -87.33 152.31 22.38 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.84 -171.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -78.0 64.96 3.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.697 0.76 . . . . 0.0 109.863 173.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.21 155.1 33.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.831 -174.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.503 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 6.9 m-20 -83.3 128.58 34.62 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 177.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 p -120.87 111.92 18.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.948 0.404 . . . . 0.0 111.306 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.652 ' HG2' ' HG2' ' A' ' 30' ' ' GLU . 37.5 mt-10 -114.94 135.77 53.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.374 177.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.49 HG23 ' HH2' ' A' ' 49' ' ' TRP . 90.2 mt -103.07 112.95 38.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.222 0.534 . . . . 0.0 109.951 175.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.455 HD12 ' HB2' ' A' ' 60' ' ' ARG . 3.1 mt -95.83 146.01 24.9 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.942 -176.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -143.87 84.26 1.78 Allowed 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 172.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.98 -96.29 0.16 Allowed Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.306 -0.861 . . . . 0.0 113.008 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -81.76 -24.63 35.92 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.386 -0.407 . . . . 0.0 111.552 -174.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -119.34 164.2 16.05 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.655 -169.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.45 ' O ' ' HD2' ' A' ' 28' ' ' ARG . 0.3 OUTLIER -147.85 133.09 18.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.292 175.777 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 27.8 m-90 -116.72 119.19 34.68 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.232 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.652 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 41.7 mt-10 -73.43 122.56 22.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.312 0.577 . . . . 0.0 110.499 176.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.585 HG21 ' HG3' ' A' ' 45' ' ' GLN . 11.2 p -120.78 162.86 19.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.415 -173.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.5 mp -88.5 122.85 32.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.341 175.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.9 tp -70.78 146.47 49.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.04 175.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -135.59 -57.69 0.78 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.42 177.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.542 ' OD2' ' HG ' ' A' ' 119' ' ' LEU . 6.5 t70 -149.71 143.03 25.19 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 176.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.8 p -148.14 150.44 14.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 110.523 -0.177 . . . . 0.0 110.523 -173.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.812 ' HG ' ' HA ' ' A' ' 112' ' ' LEU . 10.3 t -166.99 -164.02 0.59 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.033 0.444 . . . . 0.0 111.064 -179.191 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 59.5 mt -88.2 8.85 25.14 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.72 -174.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -109.21 -12.69 14.76 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 121.703 0.763 . . . . 0.0 109.11 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.438 ' HA3' ' O ' ' A' ' 85' ' ' PHE . . . 142.13 -143.36 12.77 Favored Glycine 0 N--CA 1.44 -1.049 0 CA-C-N 114.593 -1.185 . . . . 0.0 111.111 -174.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.4 tt -165.33 144.27 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.703 0.252 . . . . 0.0 110.874 -174.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.4 tp -116.85 115.24 25.16 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.143 0.496 . . . . 0.0 109.786 174.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.489 HG21 HD13 ' A' ' 22' ' ' ILE . 14.2 m -119.19 176.96 2.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.572 -178.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -136.65 121.58 2.42 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.257 -0.973 . . . . 0.0 113.084 -178.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.585 ' HG3' HG21 ' A' ' 31' ' ' VAL . 33.9 mt-30 -117.68 167.69 10.65 Favored Pre-proline 0 C--N 1.324 -0.515 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 172.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.505 ' O ' ' HG3' ' A' ' 47' ' ' GLN . 39.1 Cg_exo -60.01 -64.09 0.11 Allowed 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 121.819 1.68 . . . . 0.0 110.604 169.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' A' ' 46' ' ' PRO . 39.8 mt-30 -171.5 -170.92 0.86 Allowed 'General case' 0 C--O 1.233 0.236 0 O-C-N 124.084 0.865 . . . . 0.0 109.252 177.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' A' ' 47' ' ' GLN . 1.1 m-20 77.31 152.72 0.13 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.647 0.981 . . . . 0.0 113.647 171.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.577 ' CZ2' HD13 ' A' ' 83' ' ' LEU . 9.0 m95 -153.2 -172.04 4.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.044 -1.434 . . . . 0.0 109.328 176.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -63.97 -40.62 96.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.742 0.306 . . . . 0.0 110.606 176.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 159.48 -41.87 0.47 Allowed Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.25 175.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -142.39 153.03 62.05 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-O 120.526 0.203 . . . . 0.0 110.533 -177.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -85.89 20.92 1.16 Allowed 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 123.239 2.626 . . . . 0.0 113.427 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -94.29 -3.62 50.24 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 176.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -92.97 112.45 56.07 Favored Pre-proline 0 N--CA 1.446 -0.673 0 CA-C-N 114.449 -1.251 . . . . 0.0 110.15 177.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -56.43 139.69 87.51 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 123.238 2.625 . . . . 0.0 112.233 177.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -111.8 158.06 19.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.447 -178.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -134.39 130.12 36.39 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.467 ' HB2' HD11 ' A' ' 73' ' ' ILE . . . -97.3 122.77 40.71 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.315 -179.527 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.455 ' HB2' HD12 ' A' ' 23' ' ' LEU . 50.8 ttp180 -114.53 105.17 12.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.669 179.052 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.876 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 70.7 mt -103.97 128.07 51.52 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.776 -175.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.503 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 62.9 m-85 -99.0 113.07 25.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.648 179.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -113.43 2.62 15.49 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.169 0.509 . . . . 0.0 109.801 174.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.85 -175.72 47.73 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.052 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.1 mp -68.04 -42.03 81.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.072 0.463 . . . . 0.0 110.04 177.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -100.78 -33.85 10.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.939 176.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.9 t -67.37 96.46 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.149 0.5 . . . . 0.0 110.817 -175.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.441 HD11 ' CG ' ' A' ' 60' ' ' ARG . 32.7 tp -121.78 122.31 39.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.285 -176.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.876 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 62.6 mt -99.84 106.67 19.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.07 178.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.2 ptp85 -107.39 127.69 53.81 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.263 178.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.42 ' CG ' ' HB1' ' A' ' 59' ' ' ALA . 23.2 ptm -142.74 122.66 13.55 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.093 0.473 . . . . 0.0 110.657 177.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.651 ' HG2' HE21 ' A' ' 88' ' ' GLN . 34.2 tt0 -71.11 126.26 29.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.297 177.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.633 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 14.5 pt -132.27 151.65 35.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.48 0.657 . . . . 0.0 111.962 -173.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.431 ' HB3' ' OE1' ' A' ' 88' ' ' GLN . 10.8 p -112.16 138.15 49.23 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.65 174.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 43.8 tp -74.74 103.17 4.91 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.18 -44.79 12.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.349 -175.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 63.3 p-90 -151.46 146.94 26.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.967 0.413 . . . . 0.0 110.961 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -131.27 99.15 4.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.646 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.631 ' HB3' ' HB2' ' A' ' 82' ' ' LEU . 16.9 tpt180 -84.03 67.63 9.74 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.106 176.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.7 t70 63.17 -85.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.405 -176.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -98.16 -22.35 15.38 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.39 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.631 ' HB2' ' HB3' ' A' ' 79' ' ' ARG . 81.4 mt -84.59 113.49 21.29 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -179.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.577 HD13 ' CZ2' ' A' ' 49' ' ' TRP . 34.0 mt -108.78 110.51 21.91 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -172.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -99.28 117.11 5.77 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.054 -0.594 . . . . 0.0 112.026 -178.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.633 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 97.5 m-85 -109.14 146.81 33.48 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.933 0.397 . . . . 0.0 111.022 -178.371 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -104.13 149.13 25.51 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.151 175.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 8.3 p -78.48 119.79 22.28 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.97 0.415 . . . . 0.0 111.777 -176.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.651 HE21 ' HG2' ' A' ' 72' ' ' GLU . 26.0 mt-30 -96.3 -35.85 11.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.652 175.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -167.42 100.53 0.5 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.893 0.378 . . . . 0.0 111.025 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 37.9 mt -89.9 121.08 39.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 175.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.431 ' O ' HG13 ' A' ' 95' ' ' ILE . 18.7 t70 -66.75 150.45 49.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.808 0.337 . . . . 0.0 111.188 -175.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 72.3 mt -61.8 -39.05 90.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.61 -176.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -66.74 -40.92 88.52 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.504 ' HB3' HG23 ' A' ' 69' ' ' ILE . 15.3 m -59.11 -47.44 85.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.765 176.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 91' ' ' ASP . 73.5 mt -60.3 -43.65 94.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.448 178.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 44.5 m -59.15 -44.78 92.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.844 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -69.7 -38.03 76.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.93 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.5 tp -66.48 -41.98 88.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.656 0.265 . . . . 0.0 110.988 -179.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -60.26 -43.97 95.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.01 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.591 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -67.38 -39.74 85.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.573 177.52 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.5 tp -61.37 -46.3 90.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.273 -177.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.46 HG22 HD12 ' A' ' 112' ' ' LEU . 59.4 t -66.1 -36.72 78.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 177.081 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -59.62 -40.32 87.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.793 176.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 85.2 mt -73.46 -8.85 57.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.385 -178.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -106.89 -30.32 8.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.072 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 88.9 mt 62.72 19.7 11.58 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.576 0.547 . . . . 0.0 111.125 -178.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -87.62 53.77 4.35 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.577 -176.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 63.61 111.31 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.73 0.776 . . . . 0.0 112.546 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.93 -17.43 61.02 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 173.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.59 -28.11 69.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.324 177.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.486 HD21 HH11 ' A' ' 114' ' ' ARG . 43.6 mt -65.36 -20.71 66.51 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.07 0.462 . . . . 0.0 110.508 179.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.812 ' HA ' ' HG ' ' A' ' 37' ' ' SER . 95.2 mt -75.27 -8.16 55.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.07 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -122.43 30.94 6.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.698 0.285 . . . . 0.0 111.448 -177.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.486 HH11 HD21 ' A' ' 111' ' ' LEU . 29.2 mtm180 -85.22 -159.07 0.41 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 173.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.462 ' O ' HD11 ' A' ' 119' ' ' LEU . 5.2 tm-20 -116.28 156.95 25.72 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 174.245 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 67.6 tp -54.99 -40.07 69.7 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 117.919 0.327 . . . . 0.0 111.797 -176.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.41 -16.27 63.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.722 0.296 . . . . 0.0 111.738 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 88.5 mt -87.27 -14.97 39.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.235 0.541 . . . . 0.0 110.296 176.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.542 ' HG ' ' OD2' ' A' ' 35' ' ' ASP . 9.8 mp -84.66 79.65 9.52 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 175.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 15.6 t -96.28 149.85 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.421 -173.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 74.4 m -79.3 172.09 14.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.18 177.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -39.88 -48.56 2.33 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.216 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -101.66 135.51 43.05 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 171.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -92.51 -11.54 34.32 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -174.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.0 t70 . . . . . 0 C--O 1.245 0.839 0 CA-C-O 118.465 -0.779 . . . . 0.0 110.07 177.382 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.48 1.025 0 CA-C-O 120.956 0.408 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 p -161.73 137.61 7.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.61 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -78.93 121.24 24.63 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 176.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.423 HE21 ' HB3' ' A' ' 4' ' ' GLN . 12.8 mt-30 -88.52 90.45 8.41 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.277 0.561 . . . . 0.0 110.355 -176.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -92.5 75.21 5.15 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.062 176.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -111.21 -31.66 7.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.415 -176.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.555 ' HB3' ' HG2' ' A' ' 9' ' ' ARG . 35.1 mt-10 -91.62 149.97 21.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.985 -174.444 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -116.92 3.95 12.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.785 173.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.555 ' HG2' ' HB3' ' A' ' 7' ' ' GLU . 1.4 ptp180 -67.68 133.19 48.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.274 177.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.402 ' HB3' ' H ' ' A' ' 11' ' ' PHE . 95.2 mtt180 -105.78 -154.1 0.51 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.829 -179.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.402 ' H ' ' HB3' ' A' ' 10' ' ' ARG . 28.3 m-85 -63.15 99.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.213 -175.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -109.0 123.67 49.5 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 174.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.568 ' HB3' ' OD1' ' A' ' 35' ' ' ASP . 5.6 mtm180 -79.64 -175.85 5.03 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.882 -178.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.676 ' O ' ' HA ' ' A' ' 35' ' ' ASP . 48.3 mm -77.33 89.34 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.845 0.831 . . . . 0.0 111.504 -168.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -150.97 108.99 3.71 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.425 177.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -95.54 165.25 12.43 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -78.66 47.58 0.74 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.765 0.793 . . . . 0.0 110.271 176.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 62' ' ' TYR . . . -107.9 174.14 6.01 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.389 -177.336 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.518 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 5.2 m-20 -93.52 130.17 39.48 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 177.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 p -126.94 110.93 13.53 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.956 0.408 . . . . 0.0 111.0 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -112.03 142.13 44.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.469 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 74.9 mt -100.32 124.56 53.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 171.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.509 ' HB2' ' HB2' ' A' ' 58' ' ' GLU . 39.5 mt -112.33 163.51 14.32 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.021 0.439 . . . . 0.0 110.93 -174.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -146.77 72.78 1.29 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 170.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.02 -60.29 2.65 Favored Glycine 0 CA--C 1.522 0.48 0 CA-C-N 115.155 -0.929 . . . . 0.0 113.127 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -121.82 -45.39 2.28 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -172.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 mtm180 -86.41 149.83 24.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.802 0.335 . . . . 0.0 111.307 -172.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -126.2 130.29 50.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.195 -172.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 16.8 m-90 -127.1 106.83 9.53 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.521 0.2 . . . . 0.0 110.775 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -68.7 120.63 14.98 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.4 p -126.79 153.01 35.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.368 -0.378 . . . . 0.0 109.989 -177.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.472 HD12 ' HG3' ' A' ' 45' ' ' GLN . 9.3 mp -80.9 126.97 32.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.729 0.299 . . . . 0.0 110.681 178.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.0 tp -76.93 140.0 40.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.834 176.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -122.74 -36.54 2.88 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 177.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.676 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 12.7 t70 -163.89 160.98 22.74 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 172.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.1 p -157.09 124.91 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.136 0.493 . . . . 0.0 110.17 178.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 69.9 p -132.6 -173.11 3.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.111 0.481 . . . . 0.0 111.254 -175.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.614 HD11 HD13 ' A' ' 90' ' ' ILE . 52.7 tp -79.5 -3.86 48.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.518 0.675 . . . . 0.0 110.661 -177.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.439 ' ND1' ' HA ' ' A' ' 115' ' ' GLU . 2.6 m80 -102.7 -30.72 10.73 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 122.17 0.986 . . . . 0.0 109.221 -175.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.65 ' HA2' ' SG ' ' A' ' 87' ' ' CYS . . . 171.08 178.74 41.8 Favored Glycine 0 N--CA 1.436 -1.313 0 CA-C-N 113.755 -1.566 . . . . 0.0 111.449 -174.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.9 tt -123.22 138.81 51.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-O 120.96 0.41 . . . . 0.0 109.985 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.8 tp -114.05 100.72 8.6 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.295 0.569 . . . . 0.0 110.411 -177.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.5 m -105.71 -175.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 176.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -179.9 121.92 0.76 Allowed Glycine 0 N--CA 1.442 -0.949 0 C-N-CA 119.298 -1.43 . . . . 0.0 113.328 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.472 ' HG3' HD12 ' A' ' 32' ' ' LEU . 1.2 tm0? 177.64 -58.33 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.432 0 O-C-N 124.505 0.767 . . . . 0.0 109.98 176.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.465 ' HD3' ' CB ' ' A' ' 45' ' ' GLN . 2.1 Cg_endo -81.85 149.94 16.12 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 122.288 1.992 . . . . 0.0 112.214 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -116.1 -13.93 11.18 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.338 177.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.95 163.33 22.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.584 179.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -134.47 -179.06 5.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.005 0.431 . . . . 0.0 111.58 -176.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -76.37 -33.3 58.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.402 -178.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -138.01 -86.9 0.17 Allowed Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.35 -177.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.433 ' HB2' ' HG2' ' A' ' 55' ' ' ARG . 22.0 m-20 -142.71 154.59 62.94 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -174.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_exo -60.68 -20.18 64.11 Favored 'Trans proline' 0 CA--C 1.529 0.234 0 C-N-CA 123.136 2.557 . . . . 0.0 111.794 170.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -87.41 3.11 48.4 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.165 -176.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.433 ' HG2' ' HB2' ' A' ' 52' ' ' ASP . 21.4 mmt180 -86.12 130.93 48.19 Favored Pre-proline 0 N--CA 1.449 -0.507 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.052 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -49.14 116.64 2.34 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.413 2.742 . . . . 0.0 112.675 177.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.416 ' CD1' ' HE2' ' A' ' 85' ' ' PHE . 27.6 m-85 -108.53 143.27 37.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.102 -179.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.509 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 35.6 mt-10 -116.32 150.68 37.28 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 178.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.447 ' HB1' ' CG ' ' A' ' 71' ' ' MET . . . -116.82 126.01 52.41 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 120.781 0.324 . . . . 0.0 110.293 176.031 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -120.09 105.3 10.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.564 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.749 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 77.8 mt -101.97 130.44 48.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.925 -174.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.518 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 42.6 m-85 -103.9 93.5 4.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.602 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.5 HD22 HD23 ' A' ' 101' ' ' LEU . 9.9 mp -93.07 -5.92 49.3 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.639 0.733 . . . . 0.0 109.585 177.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.77 175.88 44.45 Favored Glycine 0 N--CA 1.44 -1.046 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.628 177.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.3 mp -69.8 -30.19 67.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.075 0.464 . . . . 0.0 110.312 177.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -110.56 3.98 19.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.81 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.2 t -114.7 85.84 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.933 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 45.0 tp -107.89 129.83 55.06 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.121 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.749 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 56.9 mt -113.59 123.05 68.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.637 178.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.2 ptt85 -116.35 144.54 44.13 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 173.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.447 ' CG ' ' HB1' ' A' ' 59' ' ' ALA . 15.8 ptm -158.58 140.18 13.52 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.202 178.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.516 ' HB2' ' HB3' ' A' ' 89' ' ' HIS . 2.3 mp0 -93.01 123.29 36.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.299 -177.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 23.3 pt -128.88 171.61 16.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.046 -176.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.48 ' HB2' ' NE2' ' A' ' 88' ' ' GLN . 9.0 t -140.41 135.88 32.51 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 175.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 44.2 tp -71.57 112.74 7.93 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.093 0.473 . . . . 0.0 110.931 -176.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.14 -55.83 3.64 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.918 -177.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 64.3 p-90 -141.25 142.49 33.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.863 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -137.23 120.35 16.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.019 177.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.0 ttt180 -145.69 138.28 25.76 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.856 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 57.38 -102.98 0.16 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.733 0.646 . . . . 0.0 110.791 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.409 ' O ' HD21 ' A' ' 82' ' ' LEU . . . -133.92 34.51 2.38 Favored Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 175.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.409 HD21 ' O ' ' A' ' 81' ' ' GLY . 82.4 mt -131.99 125.94 32.76 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.0 mp -129.97 119.37 23.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.061 0.458 . . . . 0.0 110.854 -177.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -101.43 119.34 6.46 Favored Glycine 0 N--CA 1.444 -0.823 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.88 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.416 ' HE2' ' CD1' ' A' ' 57' ' ' PHE . 28.1 m-85 -105.15 140.68 37.95 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -85.14 141.44 30.19 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 173.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.65 ' SG ' ' HA2' ' A' ' 40' ' ' GLY . 34.6 m -86.66 107.5 18.22 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 120.921 0.391 . . . . 0.0 110.584 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.48 ' NE2' ' HB2' ' A' ' 74' ' ' SER . 44.9 mt-30 -81.64 -50.27 9.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.636 -178.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 72' ' ' GLU . 8.3 t60 -138.32 98.33 3.58 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.565 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.614 HD13 HD11 ' A' ' 38' ' ' LEU . 25.0 mt -93.96 106.68 18.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 169.045 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -70.58 160.83 31.79 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.987 -172.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.429 ' N ' HD13 ' A' ' 92' ' ' LEU . 6.6 mp -62.82 -36.2 82.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.273 -178.32 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -64.93 -37.73 88.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.83 177.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 35.7 t -63.51 -52.18 62.35 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.33 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 65.8 mt -58.45 -40.21 77.62 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.388 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.64 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 54.7 m -56.33 -53.41 57.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.239 -178.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -67.03 -46.31 74.81 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -176.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.9 -47.51 82.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.01 0.433 . . . . 0.0 110.872 -178.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.416 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 15.8 tpp180 -58.55 -44.53 89.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.007 -179.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.533 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 2.1 mmp_? -55.01 -50.89 67.9 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.271 0.357 . . . . 0.0 111.117 179.109 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.5 HD23 HD22 ' A' ' 63' ' ' LEU . 34.8 tp -64.6 -40.6 95.8 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.317 -178.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 37.5 t -53.71 -48.81 60.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.568 177.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 99' ' ' ARG . 40.2 mt-10 -64.94 -43.41 92.82 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.391 -178.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 75.3 mt -70.1 -35.32 74.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.48 -177.23 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.66 0.73 56.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.557 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 26.0 tp 61.6 40.93 12.89 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.615 0.722 . . . . 0.0 110.376 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -73.52 103.22 1.39 Allowed Glycine 0 N--CA 1.44 -1.066 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 175.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -49.41 129.71 19.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.765 0.317 . . . . 0.0 110.49 175.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.1 -9.85 58.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.975 -175.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -50.63 -53.62 29.33 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.741 0.305 . . . . 0.0 110.576 -179.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.525 HD13 ' HA ' ' A' ' 13' ' ' ARG . 54.1 mt -58.8 -45.14 90.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.86 -178.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.56 -22.16 66.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.536 -176.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -121.01 26.26 9.15 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.505 -169.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.411 ' HB3' ' H ' ' A' ' 115' ' ' GLU . 17.8 ttm180 -93.3 -100.2 0.14 Allowed 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 174.447 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.439 ' HA ' ' ND1' ' A' ' 39' ' ' HIS . 0.4 OUTLIER -169.33 157.8 7.71 Favored 'General case' 0 C--O 1.223 -0.328 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 170.111 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.435 ' H ' ' CD ' ' A' ' 115' ' ' GLU . 63.4 tp -59.75 -47.4 85.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.993 0.425 . . . . 0.0 110.012 177.219 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.61 -12.54 61.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.295 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.405 HD13 ' HB2' ' A' ' 115' ' ' GLU . 76.4 mt -96.8 -6.16 36.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.104 0.478 . . . . 0.0 110.354 177.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.444 HD23 ' OD2' ' A' ' 35' ' ' ASP . 1.5 mp -104.18 158.64 16.3 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.517 -177.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.2 p -151.61 150.07 13.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 63.9 m -68.3 172.28 6.12 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.057 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.466 ' HA ' HH21 ' A' ' 13' ' ' ARG . . . -48.76 -27.6 3.06 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -176.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -87.24 76.4 9.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.311 0.577 . . . . 0.0 111.201 177.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 24.1 p-10 -114.65 -3.09 12.92 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 165.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 9.3 t70 . . . . . 0 C--O 1.251 1.164 0 CA-C-N 113.77 -1.559 . . . . 0.0 108.905 174.672 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ttt . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 120.985 0.421 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 m -141.54 -174.43 4.05 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 176.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -68.88 96.12 0.74 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 171.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -91.8 -5.17 53.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.913 -173.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -76.13 145.0 40.29 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -177.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -145.31 -53.46 0.28 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.939 -178.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.58 145.99 13.99 Favored 'General case' 0 C--O 1.236 0.362 0 O-C-N 123.777 0.673 . . . . 0.0 111.479 -172.194 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -118.69 -9.03 10.29 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.524 -1.216 . . . . 0.0 111.321 -168.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -132.95 -63.1 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.107 0.48 . . . . 0.0 111.231 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.454 ' HB3' ' NE2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -168.37 146.28 4.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.489 -173.126 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -66.69 103.69 1.14 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.101 0.477 . . . . 0.0 110.981 -177.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.477 ' O ' ' HB3' ' A' ' 105' ' ' ASN . 96.0 m-70 -131.1 82.11 2.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.339 176.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -130.3 -96.09 0.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 174.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.8 tp -108.76 155.95 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 168.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 70.9 -53.9 0.67 Allowed 'General case' 0 N--CA 1.472 0.665 0 O-C-N 123.491 0.495 . . . . 0.0 110.523 -172.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.6 p90 47.42 -169.67 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 171.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -94.27 101.11 13.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.371 178.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.08 139.19 44.53 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.64 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.529 ' HB3' ' HB2' ' A' ' 62' ' ' TYR . 7.3 t70 -84.58 113.38 21.21 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 174.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.3 t -114.45 137.6 51.64 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.32 0.581 . . . . 0.0 111.834 -171.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.444 ' HG2' ' HE2' ' A' ' 62' ' ' TYR . 8.1 pt-20 -136.23 130.47 33.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.896 172.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.483 ' O ' ' HE3' ' A' ' 29' ' ' TRP . 86.9 mt -98.9 116.34 41.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.892 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.528 ' HB2' ' HB2' ' A' ' 58' ' ' GLU . 3.9 mt -96.03 164.19 12.81 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.186 0.517 . . . . 0.0 110.933 -174.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -144.59 74.36 1.41 Allowed 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.171 -0.922 . . . . 0.0 108.619 166.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.71 -53.4 4.85 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.423 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -135.09 -54.42 0.8 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.673 0.273 . . . . 0.0 111.637 -175.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 23' ' ' LEU . 97.5 mtt180 -78.91 155.5 29.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.047 -173.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.434 ' HB2' ' HB2' ' A' ' 21' ' ' GLU . 33.9 ptt180 -133.46 131.34 39.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.482 0.658 . . . . 0.0 111.848 -178.224 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.557 ' HZ2' ' HB3' ' A' ' 50' ' ' ASN . 28.0 m-90 -95.99 114.11 25.79 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.949 173.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -69.25 129.25 39.3 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 174.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.7 p -147.82 148.13 16.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.533 -175.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.3 mp -84.89 124.18 31.33 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.189 176.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.5 tp -72.43 141.15 48.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.147 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -124.79 -19.15 5.38 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.456 179.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -175.48 158.84 2.33 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 172.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.3 p -160.4 141.39 3.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.876 0.369 . . . . 0.0 110.542 -177.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.9 p -158.7 -166.48 1.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.823 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.9 mt -101.54 20.16 16.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.341 0.591 . . . . 0.0 110.569 -177.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -141.89 15.97 2.12 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.765 177.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.81 162.41 9.88 Favored Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.349 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.459 ' CG2' ' HB2' ' A' ' 85' ' ' PHE . 7.7 tt -137.94 133.5 44.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.649 HD13 ' HB3' ' A' ' 82' ' ' LEU . 43.2 tp -112.99 122.33 47.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.151 0.501 . . . . 0.0 110.797 -175.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.4 m -126.7 166.37 23.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.777 178.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -115.46 93.73 0.63 Allowed Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 176.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.843 ' HB3' HD12 ' A' ' 83' ' ' LEU . 49.7 tt0 -115.79 113.05 42.46 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-O 121.007 0.432 . . . . 0.0 111.937 -170.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -83.71 -9.69 9.87 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 123.529 2.819 . . . . 0.0 111.534 171.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -73.12 138.34 45.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.114 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -79.45 148.01 32.07 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.551 -173.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.533 ' HA ' ' CE3' ' A' ' 49' ' ' TRP . 4.5 m95 -75.71 134.14 40.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.372 177.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.557 ' HB3' ' HZ2' ' A' ' 29' ' ' TRP . 28.2 p-10 -65.48 -32.03 73.42 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.43 -171.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -142.37 -69.1 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.36 -0.924 . . . . 0.0 112.074 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -152.01 138.62 11.99 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.466 ' O ' ' HB3' ' A' ' 75' ' ' LEU . 20.0 Cg_endo -61.66 -18.05 57.99 Favored 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 123.006 2.471 . . . . 0.0 113.927 -178.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -81.37 0.44 37.32 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.908 -0.495 . . . . 0.0 110.968 -177.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.8 mtp85 -79.18 147.05 68.49 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 175.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -65.52 131.95 29.55 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.644 2.229 . . . . 0.0 112.707 -176.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -119.43 166.19 13.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.021 179.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.528 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 29.8 mt-10 -127.31 131.79 50.39 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.6 ' O ' ' HA ' ' A' ' 70' ' ' ARG . . . -98.85 108.41 21.09 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 121.135 -0.226 . . . . 0.0 110.476 179.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.487 ' HA ' ' O ' ' A' ' 69' ' ' ILE . 37.5 ttp180 -113.77 111.53 21.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.093 0.473 . . . . 0.0 110.2 177.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.635 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 81.8 mt -105.62 125.45 51.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.268 -176.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.529 ' HB2' ' HB3' ' A' ' 19' ' ' ASP . 58.4 m-85 -93.38 111.29 22.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.218 175.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.752 HD12 HD21 ' A' ' 101' ' ' LEU . 80.2 mt -107.81 -10.03 15.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.515 0.674 . . . . 0.0 110.094 177.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 177.2 -162.34 30.39 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.498 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.9 mp -90.78 -16.32 28.58 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 117.159 0.48 . . . . 0.0 110.46 177.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -108.01 -42.09 4.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.995 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.9 t -84.32 96.83 4.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.053 0.454 . . . . 0.0 111.1 -177.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.5 tp -116.99 120.62 38.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.598 176.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.635 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 62.7 mt -99.06 138.36 23.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.539 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.6 ' HA ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -143.17 143.83 31.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.682 -0.236 . . . . 0.0 110.422 175.239 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.459 ' HA ' ' NH2' ' A' ' 70' ' ' ARG . 25.9 ptt? -161.82 152.92 18.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.356 175.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.503 ' HB2' ' HB3' ' A' ' 89' ' ' HIS . 57.5 mp0 -86.04 129.43 34.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.894 0.378 . . . . 0.0 110.442 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.512 HG21 ' HA ' ' A' ' 87' ' ' CYS . 19.0 pt -133.07 163.58 37.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -177.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.3 t -139.45 136.63 34.84 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 175.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.466 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 1.5 tm? -76.72 112.49 13.35 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -177.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -123.18 -4.72 8.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.409 0.623 . . . . 0.0 110.223 176.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.527 ' CZ3' ' HB2' ' A' ' 79' ' ' ARG . 9.8 t90 -132.28 134.34 45.16 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-O 122.116 0.96 . . . . 0.0 109.483 -177.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.409 ' HB3' HD11 ' A' ' 75' ' ' LEU . . . -155.04 99.38 2.1 Favored 'General case' 0 C--N 1.284 -2.274 0 CA-C-N 113.715 -1.584 . . . . 0.0 110.632 -175.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.527 ' HB2' ' CZ3' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -103.42 76.18 1.4 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.672 178.268 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 36.9 t70 63.07 -88.52 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.349 -177.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -108.23 -12.12 22.46 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.386 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.649 ' HB3' HD13 ' A' ' 42' ' ' LEU . 96.2 mt -88.08 112.91 23.19 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 176.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.843 HD12 ' HB3' ' A' ' 45' ' ' GLN . 95.1 mt -102.59 122.39 44.29 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.782 -175.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -109.71 107.79 2.41 Favored Glycine 0 N--CA 1.444 -0.825 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.764 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.482 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 57.8 m-85 -93.16 128.52 39.14 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.31 138.27 33.62 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 173.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.512 ' HA ' HG21 ' A' ' 73' ' ' ILE . 3.7 p -84.82 114.25 21.95 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.017 -175.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -82.74 -55.24 4.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.462 -178.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.503 ' HB3' ' HB2' ' A' ' 72' ' ' GLU . 28.6 t60 -126.49 112.26 15.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.364 -176.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.432 HD13 ' HB2' ' A' ' 87' ' ' CYS . 1.9 mp -118.18 115.79 49.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.996 176.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.405 ' O ' HG13 ' A' ' 95' ' ' ILE . 5.3 p-10 -83.04 159.9 22.07 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.807 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 40.8 tp -62.93 -29.96 71.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.155 -177.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.68 -47.93 70.88 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.2 t -56.13 -49.34 74.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.226 175.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 91' ' ' ASP . 77.1 mt -57.65 -48.6 82.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.439 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.3 p -64.2 -37.93 89.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.69 -175.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -69.72 -43.78 71.68 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.54 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -66.14 -53.93 31.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.225 -177.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -57.85 -46.41 84.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.55 -178.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.584 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 30.5 ttt180 -65.84 -36.19 82.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.131 -173.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.752 HD21 HD12 ' A' ' 63' ' ' LEU . 25.4 tp -64.7 -40.83 96.03 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.503 179.103 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 56.2 t -60.74 -39.26 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.265 177.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -68.53 -35.14 77.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.769 177.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 93.5 mt -72.25 -20.78 61.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.299 -178.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.477 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 48.9 m-80 -118.04 8.81 12.56 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -175.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 31.0 tp 57.35 46.53 18.21 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.472 0.653 . . . . 0.0 110.779 178.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.415 ' O ' HD11 ' A' ' 111' ' ' LEU . . . -80.2 -4.38 89.81 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.602 -0.727 . . . . 0.0 113.032 -177.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.7 t70 74.87 126.6 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.239 0.616 . . . . 0.0 111.508 178.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -78.13 -15.62 58.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.455 -174.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -80.06 -30.32 39.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.689 0.28 . . . . 0.0 110.623 -177.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.415 HD11 ' O ' ' A' ' 107' ' ' GLY . 75.1 mt -62.89 -26.27 68.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.266 0.555 . . . . 0.0 110.34 176.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.418 ' O ' HD23 ' A' ' 112' ' ' LEU . 9.9 tt -75.15 -18.75 60.14 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.178 177.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -109.95 26.8 10.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.653 -171.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -78.14 -157.51 0.11 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 167.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.554 ' O ' HD11 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -128.13 158.88 36.8 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 172.701 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.438 ' H ' ' CD ' ' A' ' 115' ' ' GLU . 29.9 tp -50.39 -45.39 55.45 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.088 0.243 . . . . 0.0 111.356 178.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.48 -7.27 36.57 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 178.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 49.4 mt -107.8 -8.51 16.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.641 0.258 . . . . 0.0 110.628 179.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.554 HD11 ' O ' ' A' ' 115' ' ' GLU . 2.5 mp -79.75 97.13 6.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.495 0.664 . . . . 0.0 111.401 -173.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 20.7 t -90.89 154.91 3.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.842 174.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.0 p -62.93 171.67 2.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.738 0.304 . . . . 0.0 111.63 -178.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -46.55 -35.33 5.69 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.132 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -110.39 144.23 39.46 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 174.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -131.96 136.65 47.49 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 177.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 28.1 t70 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.543 -0.742 . . . . 0.0 109.659 -179.639 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.922 0.391 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.2 m -135.49 118.07 15.93 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.286 176.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -102.79 97.8 7.91 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -101.9 45.0 0.98 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.641 0.734 . . . . 0.0 110.703 -175.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -92.47 -18.02 23.75 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.039 175.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.2 t70 70.8 127.12 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.841 -174.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -101.19 172.37 7.04 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -167.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 8' ' ' ARG . 13.5 mtm180 73.79 175.76 0.26 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-N 114.339 -1.301 . . . . 0.0 112.927 168.269 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.9 mtt85 -81.61 95.32 7.13 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.66 -178.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.439 ' HA ' ' HD2' ' A' ' 10' ' ' ARG . 15.2 tpt180 -87.61 102.5 14.67 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 175.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -80.42 129.91 34.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.064 -175.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -128.51 -48.82 1.28 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.841 173.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.415 ' HB3' ' OD2' ' A' ' 35' ' ' ASP . 65.5 mtt180 -130.53 -176.09 3.86 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.435 176.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.611 ' O ' ' HA ' ' A' ' 35' ' ' ASP . 50.2 mm -69.9 93.9 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.661 0.743 . . . . 0.0 112.193 -168.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.67 123.25 11.78 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.52 175.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -120.01 -173.24 2.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.942 -177.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -83.17 13.79 3.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.077 0.465 . . . . 0.0 110.22 174.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.584 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -75.96 119.42 19.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.953 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -86.27 137.88 32.28 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 171.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.512 ' HA ' ' O ' ' A' ' 60' ' ' ARG . 22.8 t -116.08 131.61 56.89 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.861 -172.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.542 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 51.5 mt-10 -107.87 126.51 52.75 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.744 176.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.531 HG22 ' HH2' ' A' ' 49' ' ' TRP . 70.8 mt -99.8 107.52 20.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 170.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.674 ' HG ' ' HB2' ' A' ' 58' ' ' GLU . 0.3 OUTLIER -117.46 163.49 16.3 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.169 -178.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -142.42 70.84 1.33 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.999 178.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.96 -68.6 2.25 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.292 -0.867 . . . . 0.0 113.282 -179.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.47 ' HG2' ' HG3' ' A' ' 27' ' ' ARG . 38.1 tt0 -89.21 -64.03 1.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -174.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.47 ' HG3' ' HG2' ' A' ' 26' ' ' GLU . 46.2 mtt85 -106.79 157.36 17.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.982 0.42 . . . . 0.0 111.796 -170.317 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.585 ' HG2' ' HB3' ' A' ' 23' ' ' LEU . 35.6 mtt-85 -129.45 132.55 46.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.21 -173.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 26.2 m-90 -130.93 117.71 19.63 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.542 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 0.5 OUTLIER -77.33 152.55 34.45 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.338 0.589 . . . . 0.0 110.798 -177.757 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.5 p -135.5 157.67 39.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.699 -172.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.4 mt -80.93 120.99 25.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.889 178.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.6 tp -73.75 134.24 43.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.775 175.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -120.75 -37.16 3.04 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.499 178.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.611 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 6.4 t70 -168.91 162.21 11.14 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 173.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.436 HG23 ' HB ' ' A' ' 41' ' ' ILE . 8.1 p -161.85 142.44 3.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.082 0.468 . . . . 0.0 110.743 -178.501 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 112' ' ' LEU . 69.9 p -134.33 -174.33 3.53 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.256 179.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 50.2 tp -79.06 -1.98 38.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.72 0.771 . . . . 0.0 109.979 176.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.754 ' HD1' ' HA ' ' A' ' 115' ' ' GLU . 5.4 m170 -105.5 -45.26 4.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.749 -175.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.476 ' HA3' HD11 ' A' ' 116' ' ' LEU . . . -164.82 168.63 39.15 Favored Glycine 0 N--CA 1.444 -0.832 0 CA-C-N 114.495 -1.23 . . . . 0.0 112.289 -178.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.436 ' HB ' HG23 ' A' ' 36' ' ' VAL . 13.4 tt -121.75 138.47 51.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.755 0.312 . . . . 0.0 110.465 -178.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.532 HD12 ' HB3' ' A' ' 82' ' ' LEU . 65.7 tp -112.84 111.22 21.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.178 0.514 . . . . 0.0 110.145 179.02 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.2 m -116.21 171.21 5.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.755 -179.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' A' ' 81' ' ' GLY . . . -131.07 118.51 2.43 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.461 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -108.05 154.07 41.39 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 178.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -60.6 -64.67 0.09 OUTLIER 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.698 2.265 . . . . 0.0 112.262 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -164.79 -46.07 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -67.74 146.21 53.98 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -172.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.735 ' HE3' ' HA ' ' A' ' 49' ' ' TRP . 0.0 OUTLIER -151.68 -170.42 3.65 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.186 -178.365 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.413 ' CG ' ' H ' ' A' ' 51' ' ' GLY . 27.5 p-10 -88.19 -65.12 1.05 Allowed 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 121.183 -0.207 . . . . 0.0 111.087 -177.023 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.413 ' H ' ' CG ' ' A' ' 50' ' ' ASN . . . -169.57 -60.31 0.04 OUTLIER Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 119.935 -1.126 . . . . 0.0 112.972 176.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -139.14 154.17 72.03 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-O 120.604 0.24 . . . . 0.0 110.892 -173.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.525 ' HA ' HD21 ' A' ' 75' ' ' LEU . 83.4 Cg_endo -81.13 -1.3 11.08 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.954 2.436 . . . . 0.0 113.737 -176.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -81.44 -18.09 46.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.368 0.604 . . . . 0.0 109.628 -178.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 66.3 mtt85 -83.48 124.84 75.18 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.443 176.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.28 158.23 58.45 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 123.129 2.553 . . . . 0.0 112.788 -176.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.446 ' CD1' ' HE1' ' A' ' 85' ' ' PHE . 71.5 m-85 -133.0 160.99 35.54 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -175.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.674 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 34.0 mt-10 -116.16 130.92 57.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.952 179.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.404 ' HB3' HD12 ' A' ' 73' ' ' ILE . . . -119.22 127.94 53.74 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.856 0.36 . . . . 0.0 110.762 178.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.653 ' HG3' HD22 ' A' ' 23' ' ' LEU . 35.6 mtm180 -118.12 136.7 53.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.807 175.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.862 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 95.1 mt -116.38 120.08 37.7 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.961 -177.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.584 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 68.6 m-85 -86.75 90.91 8.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.394 175.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.588 ' HG ' HD21 ' A' ' 101' ' ' LEU . 10.9 mp -85.25 -29.56 24.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.398 0.618 . . . . 0.0 109.766 179.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -162.04 -172.02 28.9 Favored Glycine 0 N--CA 1.442 -0.955 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -73.86 -39.05 64.26 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.204 0.526 . . . . 0.0 109.613 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -97.75 -8.88 27.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.831 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.9 t -106.49 88.77 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.126 0.489 . . . . 0.0 110.904 -176.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 62.3 tp -104.45 111.57 24.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.57 175.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.862 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 49.1 mm -90.5 135.96 25.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.64 -177.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -119.84 144.72 47.21 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.3 ptm -155.23 127.94 8.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.484 0.659 . . . . 0.0 111.272 178.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.48 ' HB3' ' HB3' ' A' ' 89' ' ' HIS . 9.6 tp10 -78.27 123.11 26.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.378 176.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.765 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 28.0 pt -130.23 141.75 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.45 0.643 . . . . 0.0 112.454 -175.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.2 t -114.94 124.27 51.26 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 173.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.525 HD21 ' HA ' ' A' ' 53' ' ' PRO . 28.9 tp -66.13 106.72 1.71 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.061 0.458 . . . . 0.0 110.576 -176.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.59 -44.73 12.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.151 -175.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 60.4 p-90 -150.45 138.95 20.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.996 0.427 . . . . 0.0 111.028 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -134.12 113.15 11.75 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.906 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -136.31 133.2 36.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.052 -178.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.5 t70 66.77 -80.12 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.375 0 O-C-N 124.11 0.881 . . . . 0.0 110.626 178.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.459 ' O ' ' HA2' ' A' ' 44' ' ' GLY . . . -152.63 -1.26 0.21 Allowed Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 175.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.532 ' HB3' HD12 ' A' ' 42' ' ' LEU . 97.5 mt -98.39 123.33 42.46 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.2 mp -117.65 120.55 38.35 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.39 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -97.54 108.9 3.72 Favored Glycine 0 N--CA 1.441 -0.995 0 N-CA-C 111.291 -0.723 . . . . 0.0 111.291 177.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.765 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 92.5 m-85 -96.35 125.02 40.56 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.804 0.335 . . . . 0.0 110.439 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -82.88 120.75 26.07 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 176.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.709 ' SG ' HG13 ' A' ' 90' ' ' ILE . 8.9 t -78.23 125.73 29.78 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.243 0.544 . . . . 0.0 110.381 -173.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.472 ' HB2' ' HG3' ' A' ' 72' ' ' GLU . 37.4 mt-30 -90.14 -34.67 15.78 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.714 -176.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.48 ' HB3' ' HB3' ' A' ' 72' ' ' GLU . 74.7 t60 -143.64 110.91 5.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.699 -177.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.709 HG13 ' SG ' ' A' ' 87' ' ' CYS . 0.7 OUTLIER -110.64 107.75 23.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 174.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.499 ' O ' HG13 ' A' ' 95' ' ' ILE . 12.6 m-20 -60.79 143.5 54.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.64 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.4 mp -60.16 -40.02 88.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.07 0.462 . . . . 0.0 110.376 -178.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -64.25 -41.13 97.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.205 177.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.461 ' OG ' HG23 ' A' ' 69' ' ' ILE . 47.4 t -58.07 -49.04 78.28 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.416 175.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 91' ' ' ASP . 59.8 mt -58.97 -44.96 92.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.614 178.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.51 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 4.9 t -60.19 -50.31 74.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.846 -177.442 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.466 ' HB2' HD13 ' A' ' 69' ' ' ILE . 79.3 m-70 -64.73 -35.24 80.41 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.553 0.216 . . . . 0.0 110.914 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.408 ' O ' HG22 ' A' ' 102' ' ' VAL . 55.5 tp -61.47 -48.7 79.91 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 178.044 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 35.4 ttt85 -63.94 -29.28 70.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.704 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.545 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 35.3 mmt180 -58.03 -51.71 68.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.664 0.269 . . . . 0.0 110.371 175.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.588 HD21 ' HG ' ' A' ' 63' ' ' LEU . 48.1 tp -64.69 -42.4 95.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.703 -179.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.83 HG21 HD12 ' A' ' 112' ' ' LEU . 96.2 t -60.49 -36.38 69.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.039 0.447 . . . . 0.0 110.642 178.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -70.32 -49.59 47.9 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.925 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 72.7 mt -67.29 -34.13 76.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.082 -178.37 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -90.43 -7.95 51.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.654 -176.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 86.5 mt 60.84 39.57 16.84 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.819 -179.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -84.94 7.76 73.2 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.68 -0.691 . . . . 0.0 114.244 -172.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.4 t70 70.23 119.14 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.466 0.65 . . . . 0.0 111.855 177.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -78.3 -21.17 50.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.592 -177.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -65.77 -38.42 88.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.36 . . . . 0.0 110.973 -177.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.429 ' HB2' HD13 ' A' ' 14' ' ' ILE . 96.9 mt -57.02 -30.93 64.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.226 177.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.83 HD12 HG21 ' A' ' 102' ' ' VAL . 75.4 mt -74.79 -16.09 60.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.43 -177.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -113.84 26.11 10.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.71 0.29 . . . . 0.0 111.259 -172.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -77.8 -99.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 174.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.754 ' HA ' ' HD1' ' A' ' 39' ' ' HIS . 0.2 OUTLIER -178.84 162.31 1.3 Allowed 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 176.226 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.476 HD11 ' HA3' ' A' ' 40' ' ' GLY . 52.1 tp -62.72 -42.4 99.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.101 0.477 . . . . 0.0 109.858 177.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.32 -6.42 49.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.464 175.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 82.5 mt -108.58 4.19 23.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.952 0.406 . . . . 0.0 110.449 177.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.53 HD12 ' O ' ' A' ' 115' ' ' GLU . 1.9 mp -100.09 102.86 14.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.243 0.544 . . . . 0.0 111.051 -177.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 20.7 t -97.92 154.93 3.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 174.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.5 p -61.6 171.93 1.38 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.634 -178.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -46.13 -41.67 12.75 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.62 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -108.97 155.01 21.36 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 172.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.404 ' HB3' HH12 ' A' ' 13' ' ' ARG . 6.1 p-10 -132.87 142.4 48.91 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.86 0.362 . . . . 0.0 110.323 178.166 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 . . . . . 0 C--O 1.245 0.866 0 CA-C-O 118.817 -0.611 . . . . 0.0 109.863 179.566 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 tmt? . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 m 64.42 104.82 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.158 0 O-C-N 123.745 0.653 . . . . 0.0 111.404 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -52.34 118.01 3.24 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.805 -179.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -61.45 126.57 27.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.82 -177.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -160.79 95.98 1.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.519 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.419 ' OD2' ' HA ' ' A' ' 10' ' ' ARG . 5.9 p-10 -98.31 -20.9 16.93 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 174.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.454 ' O ' ' HB3' ' A' ' 8' ' ' ARG . 6.4 tm-20 -50.03 153.23 1.42 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.338 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.454 ' HB3' ' O ' ' A' ' 7' ' ' GLU . 79.1 ttt180 90.41 -19.56 0.15 Allowed 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.771 1.228 . . . . 0.0 110.122 -175.278 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -144.67 -34.6 0.36 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.315 176.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.419 ' HA ' ' OD2' ' A' ' 6' ' ' ASP . 26.1 mtp180 60.37 43.52 13.33 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.709 0.766 . . . . 0.0 109.535 -176.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -68.64 110.42 4.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.434 -172.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.656 ' CE1' ' HA ' ' A' ' 122' ' ' ALA . 8.2 m170 -88.38 113.86 24.41 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 171.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.562 ' HD3' ' HA2' ' A' ' 107' ' ' GLY . 99.4 mtt180 -63.33 -18.6 63.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.991 0.424 . . . . 0.0 110.704 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.404 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 48.3 mm -108.45 88.67 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 168.207 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 14' ' ' ILE . . . 165.99 98.38 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.793 1.237 . . . . 0.0 107.784 179.012 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -85.11 -13.62 49.68 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -166.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 t70 62.02 17.54 9.13 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 122.272 1.034 . . . . 0.0 109.714 -176.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.14 155.96 36.45 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.808 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.526 ' HB3' ' HB2' ' A' ' 62' ' ' TYR . 13.2 t70 -69.94 118.28 12.58 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 177.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 t -117.02 125.17 50.95 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.122 0.487 . . . . 0.0 110.894 -176.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -120.26 125.17 47.44 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 172.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.503 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 62.5 mt -102.5 130.77 51.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 171.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.401 HD22 ' N ' ' A' ' 23' ' ' LEU . 1.6 pt? -138.12 170.94 15.16 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 120.982 0.42 . . . . 0.0 110.866 -177.036 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.404 ' NE2' ' HB2' ' A' ' 55' ' ' ARG . 30.7 tt0 -127.09 37.93 4.18 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 175.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.4 -55.69 4.85 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 114.739 -1.119 . . . . 0.0 113.087 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -83.33 -37.86 22.83 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -173.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -133.57 142.79 48.31 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 -178.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -119.15 147.03 44.64 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 123.517 0.511 . . . . 0.0 110.833 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.557 ' HH2' ' HB2' ' A' ' 50' ' ' ASN . 14.5 m-90 -128.61 131.26 48.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.25 178.364 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -69.88 108.18 3.87 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 172.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.584 HG21 ' HB2' ' A' ' 45' ' ' GLN . 11.0 p -105.33 152.36 7.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.859 -178.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 mp -92.31 114.47 27.02 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.797 0.332 . . . . 0.0 110.497 178.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.6 tp -68.1 147.99 51.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.175 177.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.429 ' HB2' ' O ' ' A' ' 42' ' ' LEU . 87.4 m-70 -139.27 -89.56 0.2 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.243 178.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -126.83 140.5 52.31 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -174.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.507 HG23 ' HB ' ' A' ' 41' ' ' ILE . 14.1 p -141.54 159.81 21.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 116.835 -0.166 . . . . 0.0 111.234 -171.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 89.2 p -159.94 -173.78 4.25 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.583 0.23 . . . . 0.0 110.64 177.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.4 mt -93.55 14.75 17.87 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.332 0.587 . . . . 0.0 110.323 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -139.83 18.91 2.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.49 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.584 ' HA3' HD11 ' A' ' 116' ' ' LEU . . . 144.72 163.84 10.25 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.328 -0.939 . . . . 0.0 112.532 177.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.507 ' HB ' HG23 ' A' ' 36' ' ' VAL . 9.4 tt -140.37 136.07 36.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -179.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.511 HD13 ' HB3' ' A' ' 82' ' ' LEU . 49.9 tp -115.0 113.37 24.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.035 0.445 . . . . 0.0 110.259 -178.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.0 m -127.58 175.93 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.03 -179.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -124.95 125.35 5.66 Favored Glycine 0 N--CA 1.449 -0.433 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.705 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.584 ' HB2' HG21 ' A' ' 31' ' ' VAL . 24.7 tt0 -140.06 118.74 8.61 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-O 120.57 0.224 . . . . 0.0 110.769 -177.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -86.49 6.61 5.33 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.896 2.397 . . . . 0.0 112.592 177.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.522 ' H ' ' HG2' ' A' ' 45' ' ' GLN . 49.0 mt-30 -104.03 170.39 7.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.558 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -97.98 -161.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.082 -177.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -114.53 172.15 7.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.987 0.422 . . . . 0.0 111.751 -178.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.557 ' HB2' ' HH2' ' A' ' 29' ' ' TRP . 10.4 t30 -80.91 -71.93 0.44 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.575 -173.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -119.44 -65.44 0.29 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.443 -177.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.4 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 6.5 t70 -146.99 133.31 9.65 Favored Pre-proline 0 N--CA 1.448 -0.545 0 O-C-N 122.667 -0.314 . . . . 0.0 110.321 -176.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 52' ' ' ASP . 37.6 Cg_exo -60.13 -17.02 43.21 Favored 'Trans proline' 0 CA--C 1.532 0.404 0 C-N-CA 123.691 2.928 . . . . 0.0 113.396 176.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -73.54 -12.27 60.72 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.212 0.529 . . . . 0.0 110.698 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.404 ' HB2' ' NE2' ' A' ' 24' ' ' GLN . 65.6 mtp180 -91.03 147.59 36.09 Favored Pre-proline 0 N--CA 1.444 -0.741 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.829 177.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -51.72 146.69 26.65 Favored 'Trans proline' 0 C--O 1.239 0.537 0 C-N-CA 123.1 2.533 . . . . 0.0 112.844 177.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -117.88 138.24 52.25 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 173.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.503 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 2.9 mp0 -103.95 125.64 50.49 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.614 -177.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -105.73 113.99 27.89 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.7 177.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.481 ' CG ' HD12 ' A' ' 68' ' ' LEU . 40.8 ttm180 -116.06 119.09 34.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.552 -178.156 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 67.6 mt -107.73 119.1 38.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.547 -178.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.526 ' HB2' ' HB3' ' A' ' 19' ' ' ASP . 35.5 m-85 -94.08 117.39 30.04 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.511 178.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.545 HD13 HD22 ' A' ' 101' ' ' LEU . 71.0 mt -101.11 -19.85 15.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.698 0.761 . . . . 0.0 109.043 170.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -166.95 -158.97 11.81 Favored Glycine 0 N--CA 1.443 -0.884 0 N-CA-C 109.996 -1.241 . . . . 0.0 109.996 178.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.406 HD21 ' O ' ' A' ' 65' ' ' LEU . 4.1 tt -81.41 -35.41 30.74 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 117.638 0.719 . . . . 0.0 109.206 177.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -96.71 -45.61 6.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.26 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 32.5 t -70.9 98.12 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-O 121.248 0.547 . . . . 0.0 109.993 -177.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.481 HD12 ' CG ' ' A' ' 60' ' ' ARG . 33.9 tp -130.19 113.11 14.06 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.573 -174.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.471 HD11 ' N ' ' A' ' 69' ' ' ILE . 3.5 mp -94.27 107.94 20.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 177.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.716 ' HD3' ' H ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -115.16 127.94 55.87 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.786 -179.688 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.1 ptm -136.94 154.27 50.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.597 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.539 ' HB3' ' HB3' ' A' ' 89' ' ' HIS . 34.7 tt0 -111.66 119.62 39.29 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -176.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.516 HG23 ' HA ' ' A' ' 87' ' ' CYS . 15.7 pt -123.22 161.46 24.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.4 -171.347 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 p -122.52 126.18 47.28 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.144 175.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 57.6 tp -63.44 122.07 15.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.968 0.413 . . . . 0.0 111.246 -177.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.456 ' HB2' ' HG2' ' A' ' 86' ' ' GLU . . . -95.33 -55.04 3.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 -178.24 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 66.1 p-90 -145.86 144.65 30.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.126 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -129.82 119.78 23.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.274 178.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.1 mmt85 -125.46 103.04 7.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.332 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 65.86 -84.09 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.404 175.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -128.24 -5.34 5.18 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 121.161 -0.543 . . . . 0.0 112.334 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.511 ' HB3' HD13 ' A' ' 42' ' ' LEU . 98.8 mt -105.26 121.12 43.2 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.2 mp -119.07 128.94 54.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.659 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.96 119.13 5.81 Favored Glycine 0 N--CA 1.443 -0.891 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.428 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -106.82 138.41 43.05 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.456 ' HG2' ' HB2' ' A' ' 76' ' ' ALA . 6.0 mm-40 -82.73 127.73 33.7 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 173.081 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.768 ' HB2' HD13 ' A' ' 90' ' ' ILE . 6.8 p -71.77 102.57 2.87 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.222 178.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -86.23 -57.83 2.87 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.131 -173.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.539 ' HB3' ' HB3' ' A' ' 72' ' ' GLU . 50.5 t60 -126.24 101.37 6.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.193 0.52 . . . . 0.0 110.786 -176.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.768 HD13 ' HB2' ' A' ' 87' ' ' CYS . 1.9 mp -113.92 111.03 34.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 175.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -78.98 169.19 18.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.861 0.363 . . . . 0.0 110.559 -176.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.544 HD11 ' N ' ' A' ' 93' ' ' ASP . 1.3 pp -63.39 -32.59 74.07 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -174.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.544 ' N ' HD11 ' A' ' 92' ' ' LEU . 32.3 t70 -71.45 -35.53 70.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.238 0.542 . . . . 0.0 109.634 -178.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.5 t -67.33 -47.23 71.12 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.356 178.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 72.4 mt -60.59 -42.01 90.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.97 179.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.2 t -60.01 -52.07 66.96 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.475 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -61.92 -47.22 85.91 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.944 0.402 . . . . 0.0 110.513 178.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 47.0 tp -61.92 -56.05 23.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.975 -174.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 51.2 ttt-85 -66.14 -38.59 88.51 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.876 -0.329 . . . . 0.0 111.058 -173.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.448 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 56.1 mtt180 -68.51 -26.52 65.49 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.368 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.545 HD22 HD13 ' A' ' 63' ' ' LEU . 33.4 tp -68.27 -39.39 82.19 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 176.005 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.697 HG23 HD13 ' A' ' 112' ' ' LEU . 58.1 t -67.41 -40.11 83.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.021 173.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -62.43 -41.57 98.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.007 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 81.9 mt -62.64 -35.47 79.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.955 0.407 . . . . 0.0 111.335 178.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -93.42 2.71 56.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.103 -178.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.9 mt 55.99 38.12 29.61 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.588 0.555 . . . . 0.0 110.979 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.562 ' HA2' ' HD3' ' A' ' 13' ' ' ARG . . . -66.46 -27.75 73.3 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.943 -176.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.2 t70 71.35 150.55 0.1 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.217 0.607 . . . . 0.0 110.479 -176.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -87.12 -1.67 58.06 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.713 0.635 . . . . 0.0 112.713 -172.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -56.45 -43.55 79.61 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.465 0.65 . . . . 0.0 109.722 173.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 42.6 mt -62.98 -31.01 72.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.833 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.697 HD13 HG23 ' A' ' 102' ' ' VAL . 92.2 mt -94.58 1.64 55.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.972 -175.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -131.44 28.2 4.67 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -175.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.423 ' HB2' ' H ' ' A' ' 115' ' ' GLU . 25.0 mtt180 -78.44 -95.83 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 173.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.487 ' HB2' HD13 ' A' ' 118' ' ' LEU . 3.4 mm-40 -174.41 168.4 3.89 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 172.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.584 HD11 ' HA3' ' A' ' 40' ' ' GLY . 67.2 tp -64.88 -49.93 68.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 118.23 0.468 . . . . 0.0 110.094 178.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.65 -18.87 65.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.742 176.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.487 HD13 ' HB2' ' A' ' 115' ' ' GLU . 97.0 mt -95.33 1.81 54.5 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.912 0.386 . . . . 0.0 110.639 178.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.406 HD11 ' HA ' ' A' ' 119' ' ' LEU . 2.2 tp -98.07 108.62 21.37 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.186 0.517 . . . . 0.0 110.394 -176.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.802 ' HB ' ' HB2' ' A' ' 124' ' ' ASP . 30.8 m -88.02 171.99 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.754 177.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 98.0 p -100.91 171.68 7.5 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.869 0.366 . . . . 0.0 110.509 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.656 ' HA ' ' CE1' ' A' ' 12' ' ' HIS . . . -52.29 -14.79 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -103.17 -2.28 27.59 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.197 -0.601 . . . . 0.0 111.676 -179.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.802 ' HB2' ' HB ' ' A' ' 120' ' ' VAL . 32.2 m-20 -97.78 88.67 4.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.677 0.275 . . . . 0.0 110.864 -177.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 . . . . . 0 C--O 1.251 1.156 0 CA-C-O 118.481 -0.771 . . . . 0.0 109.271 175.996 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.635 ' O ' ' HA ' ' A' ' 35' ' ' ASP . 35.9 mm . . . . . 0 N--CA 1.45 -0.429 0 CA-C-O 121.501 0.667 . . . . 0.0 110.53 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -160.7 103.94 1.37 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.243 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -107.44 161.95 14.37 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.546 -174.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -83.63 81.35 8.78 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 174.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.36 144.76 46.8 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.459 -176.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.55 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 18.7 m-20 -71.1 110.06 5.55 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 176.017 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.477 ' HB3' ' O ' ' A' ' 31' ' ' VAL . 22.6 t -101.12 108.23 19.86 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.253 -178.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.57 ' OE2' ' HD2' ' A' ' 28' ' ' ARG . 38.1 mt-10 -109.85 119.7 40.16 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.818 175.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.596 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 71.3 mt -101.22 111.53 31.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 170.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.525 HD23 ' H ' ' A' ' 23' ' ' LEU . 2.2 pt? -127.92 171.48 11.77 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.839 -173.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -141.28 78.81 1.66 Allowed 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 174.452 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.79 -84.32 0.04 OUTLIER Glycine 0 CA--C 1.521 0.411 0 CA-C-N 115.105 -0.952 . . . . 0.0 113.371 -177.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -85.97 -30.13 23.0 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 123.172 0.589 . . . . 0.0 111.938 -173.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -106.65 123.92 48.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.742 -0.208 . . . . 0.0 110.94 -171.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.57 ' HD2' ' OE2' ' A' ' 21' ' ' GLU . 8.9 ttp180 -112.92 134.88 54.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.723 -0.217 . . . . 0.0 110.966 -178.174 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 6.8 m-90 -129.62 108.34 10.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.192 0.52 . . . . 0.0 110.525 172.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -72.47 128.79 36.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.773 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.477 ' O ' ' HB3' ' A' ' 20' ' ' SER . 11.6 p -137.71 160.76 33.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.786 0.327 . . . . 0.0 111.198 -173.12 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.402 ' N ' HG22 ' A' ' 31' ' ' VAL . 8.1 mp -96.36 129.4 43.7 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.328 176.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.5 tt -81.64 138.04 35.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.084 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -111.51 -42.7 3.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.642 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.635 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 13.4 t70 -165.14 139.23 4.87 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 172.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.541 HG23 ' HB ' ' A' ' 41' ' ' ILE . 7.5 p -132.72 141.7 44.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.936 0.398 . . . . 0.0 110.356 -179.203 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.7 p -145.48 -169.78 3.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.938 0.399 . . . . 0.0 111.344 -175.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.3 mt -84.65 -12.3 54.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.154 -174.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.2 p-80 -107.96 -19.58 13.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.496 -177.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 176.49 -178.15 47.86 Favored Glycine 0 N--CA 1.443 -0.855 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.285 -175.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.541 ' HB ' HG23 ' A' ' 36' ' ' VAL . 8.5 tt -148.65 133.21 9.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 120.814 0.34 . . . . 0.0 110.218 -177.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.618 HD11 ' HB3' ' A' ' 82' ' ' LEU . 55.4 tp -108.61 114.46 28.3 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.034 0.445 . . . . 0.0 110.245 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.8 m -113.49 167.72 6.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.208 176.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -124.94 113.63 2.0 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.617 -0.801 . . . . 0.0 111.395 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.576 ' HG3' HD13 ' A' ' 83' ' ' LEU . 72.9 mt-30 -108.89 113.64 59.26 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-O 120.945 0.403 . . . . 0.0 110.695 -178.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -78.07 12.33 2.05 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 123.221 2.614 . . . . 0.0 111.461 174.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 62.0 tp60 -148.62 127.34 12.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.173 -0.922 . . . . 0.0 108.791 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -89.14 133.63 34.32 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.877 0.37 . . . . 0.0 110.71 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.412 ' HH2' HG21 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -89.73 -111.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.23 179.789 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.3 t30 . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 174.757 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 CA--C 1.52 -0.181 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.41 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 45.1 mtt180 -97.25 110.68 55.45 Favored Pre-proline 0 N--CA 1.449 -0.509 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.843 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 55' ' ' ARG . 41.7 Cg_endo -69.74 143.6 51.42 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.599 2.199 . . . . 0.0 111.449 176.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -121.76 152.83 39.03 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.05 0.453 . . . . 0.0 111.016 -174.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.596 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 36.8 mt-10 -106.19 128.15 53.72 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.502 ' HB3' ' HG3' ' A' ' 71' ' ' MET . . . -109.41 107.92 18.26 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 177.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.484 ' HG2' HD11 ' A' ' 68' ' ' LEU . 33.7 ttm180 -109.99 115.4 29.7 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.884 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.649 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 67.6 mt -106.67 106.99 17.78 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.591 -176.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.55 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 28.2 m-85 -85.41 95.07 9.14 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 176.251 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 22.2 tp -78.93 -23.54 44.59 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 177.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -169.14 167.59 40.59 Favored Glycine 0 N--CA 1.436 -1.357 0 CA-C-N 113.646 -1.616 . . . . 0.0 109.335 172.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.5 mt -56.91 -41.57 78.38 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 117.63 0.715 . . . . 0.0 110.73 178.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -94.08 -8.2 40.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.48 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 32.8 t -114.46 92.99 2.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-O 121.045 0.45 . . . . 0.0 110.159 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.484 HD11 ' HG2' ' A' ' 60' ' ' ARG . 49.8 tp -109.94 122.97 48.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.277 -176.217 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.649 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 58.1 mt -103.53 132.56 49.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 173.611 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -135.17 143.65 46.59 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.761 0.315 . . . . 0.0 111.155 -175.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.502 ' HG3' ' HB3' ' A' ' 59' ' ' ALA . 17.9 ptm -158.58 128.21 5.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.225 -178.415 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -85.21 125.36 32.8 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.754 175.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.535 HG22 ' HA ' ' A' ' 87' ' ' CYS . 22.7 pt -132.47 172.32 16.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.732 -175.251 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.4 m -132.23 146.75 52.22 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.188 172.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 63.0 tp -69.41 112.77 6.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.406 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.13 -49.74 7.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.454 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 65.9 p-90 -156.0 141.24 17.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.928 0.394 . . . . 0.0 111.549 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -120.39 122.18 40.18 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 172.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -150.83 113.48 4.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.694 0.283 . . . . 0.0 111.683 -172.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 66.05 26.45 10.78 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.347 173.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.58 -11.44 68.45 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.321 -0.943 . . . . 0.0 112.132 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.618 ' HB3' HD11 ' A' ' 42' ' ' LEU . 74.8 mt -96.74 122.33 39.57 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.211 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.576 HD13 ' HG3' ' A' ' 45' ' ' GLN . 5.5 mp -115.35 114.52 25.24 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.068 0.461 . . . . 0.0 110.361 -179.234 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -98.9 114.88 5.15 Favored Glycine 0 N--CA 1.441 -0.984 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.215 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -99.49 152.77 19.62 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -103.73 135.09 45.94 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 176.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.535 ' HA ' HG22 ' A' ' 73' ' ' ILE . 74.8 m -76.2 132.83 40.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.946 -177.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -112.03 -53.6 2.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.508 177.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -139.31 98.25 3.47 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 -176.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 32.9 mt -97.76 124.55 50.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 172.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.423 ' O ' ' HB3' ' A' ' 94' ' ' SER . 28.9 t70 -60.99 147.24 44.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.748 0.309 . . . . 0.0 111.115 -176.447 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.63 -45.09 92.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.241 -177.022 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -69.39 -35.94 76.28 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.423 ' HB3' ' O ' ' A' ' 91' ' ' ASP . 32.4 t -57.54 -50.96 71.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.417 174.321 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 80.3 mt -60.01 -39.5 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-O 121.002 0.43 . . . . 0.0 110.332 176.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 53.9 m -59.02 -39.28 81.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.884 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -70.73 -47.39 59.96 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.888 0.375 . . . . 0.0 110.394 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.418 ' O ' HG23 ' A' ' 102' ' ' VAL . 57.1 tp -58.44 -53.55 57.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.379 -176.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 99' ' ' ARG . 32.2 ttm180 -66.35 -36.94 84.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 -177.36 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.46 HH11 ' HD2' ' A' ' 100' ' ' ARG . 10.1 tpp85 -63.26 -39.24 94.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.867 177.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.2 tp -65.59 -42.05 92.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.747 0.308 . . . . 0.0 110.678 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 98' ' ' LEU . 64.3 t -63.47 -44.76 98.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.371 . . . . 0.0 110.373 177.357 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -59.71 -46.27 89.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.614 177.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.3 tt -57.44 -45.9 84.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.756 -177.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -80.58 -16.01 55.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.154 -177.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 29.5 tp 59.15 52.93 5.76 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.995 0.902 . . . . 0.0 109.203 -171.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' A' ' 108' ' ' ASP . . . -90.1 -0.4 77.49 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 114.948 -1.024 . . . . 0.0 112.358 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 107' ' ' GLY . 1.3 m-20 72.12 120.47 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.604 0.716 . . . . 0.0 111.507 -178.359 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 113' ' ' GLU . 1.5 mp0 -65.69 -8.96 23.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.277 176.165 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -50.58 -36.52 35.16 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.277 174.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.599 HD22 HH21 ' A' ' 114' ' ' ARG . 72.3 mt -63.33 -32.18 73.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.328 0.585 . . . . 0.0 111.07 -178.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.4 mt -79.84 -14.62 58.53 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.751 -177.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 72.4 mt-10 -102.0 12.52 36.75 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -170.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.684 ' HB2' HD11 ' A' ' 119' ' ' LEU . 14.8 mtt85 -76.23 -162.67 0.25 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.067 0.461 . . . . 0.0 109.929 175.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.436 ' O ' HD13 ' A' ' 119' ' ' LEU . 1.5 tm-20 -123.31 148.2 46.22 Favored 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 173.28 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 61.6 tp -53.42 -38.26 63.31 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 118.246 0.475 . . . . 0.0 112.061 -174.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.52 -16.85 64.45 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.846 0.355 . . . . 0.0 111.53 177.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 79.2 mt -89.96 -15.23 32.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.715 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.684 HD11 ' HB2' ' A' ' 114' ' ' ARG . 10.8 mp -86.42 104.79 16.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.53 0.681 . . . . 0.0 111.077 -177.044 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 121' ' ' SER . 15.0 t -113.55 166.38 7.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.042 -178.435 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.45 ' N ' HG12 ' A' ' 120' ' ' VAL . 21.1 p -69.28 171.63 8.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.76 0.314 . . . . 0.0 111.118 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.42 -178.544 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.52 HG23 ' O ' ' A' ' 14' ' ' ILE . 17.8 tt . . . . . 0 N--CA 1.451 -0.41 0 CA-C-O 122.823 1.297 . . . . 0.0 109.73 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.9 101.48 4.31 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.3 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -76.8 167.13 22.36 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.064 -178.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -80.19 46.71 0.84 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 171.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -97.13 144.22 27.19 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.623 -1.172 . . . . 0.0 110.522 -173.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.545 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 20.9 m-20 -91.45 118.37 30.5 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 175.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.5 t -107.31 115.15 29.65 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.502 -176.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.79 ' HG2' ' HG3' ' A' ' 30' ' ' GLU . 56.2 mt-10 -106.21 129.58 54.23 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.224 176.094 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.429 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 76.9 mt -96.81 115.4 36.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 173.033 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.525 ' HB2' ' HB2' ' A' ' 58' ' ' GLU . 6.9 mt -101.85 135.81 42.75 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.186 -174.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -116.76 77.28 1.1 Allowed 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 171.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.36 -73.89 1.54 Allowed Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.127 -177.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -119.34 -36.03 3.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.811 0.339 . . . . 0.0 111.423 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -90.12 130.34 36.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.64 -172.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.0 ptt85 -112.35 140.35 47.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.664 -177.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 16.8 m-90 -124.89 111.05 15.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.305 174.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.79 ' HG3' ' HG2' ' A' ' 21' ' ' GLU . 4.1 mp0 -67.36 121.07 14.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.117 0.484 . . . . 0.0 110.342 174.27 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.6 p -116.61 161.69 15.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.249 -175.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 mp -90.5 118.83 30.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.709 0.29 . . . . 0.0 110.701 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.477 HD11 ' HB ' ' A' ' 36' ' ' VAL . 65.8 tp -71.04 146.21 49.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.403 176.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -128.88 -44.12 1.33 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.718 176.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.419 ' CG ' HH22 ' A' ' 114' ' ' ARG . 10.1 t70 -153.13 138.66 17.72 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 177.519 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.477 ' HB ' HD11 ' A' ' 33' ' ' LEU . 8.7 p -137.85 140.69 40.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.519 ' OG ' ' HA ' ' A' ' 112' ' ' LEU . 5.6 t -151.41 -169.82 3.48 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 120.424 -0.51 . . . . 0.0 111.342 -174.588 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.9 tp -90.28 10.89 23.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.946 0.879 . . . . 0.0 110.657 -171.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -138.88 19.13 2.65 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.606 -176.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.88 -163.88 25.84 Favored Glycine 0 N--CA 1.442 -0.964 0 C-N-CA 120.233 -0.984 . . . . 0.0 112.805 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.0 tt -157.58 139.2 5.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 120.617 0.246 . . . . 0.0 110.403 -174.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.702 HD11 ' HB3' ' A' ' 82' ' ' LEU . 39.5 tp -115.05 118.22 32.78 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.519 -178.388 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.45 HG12 ' HA ' ' A' ' 33' ' ' LEU . 30.5 m -127.23 169.98 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.794 0.33 . . . . 0.0 111.243 -178.228 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -113.9 107.12 1.84 Allowed Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 176.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.678 ' HB3' HD12 ' A' ' 83' ' ' LEU . 24.5 tp60 -123.53 111.66 29.69 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 120.646 0.26 . . . . 0.0 111.344 -172.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.466 ' HD2' HE21 ' A' ' 45' ' ' GLN . 3.1 Cg_exo -77.59 47.42 2.29 Favored 'Trans proline' 0 CA--C 1.532 0.402 0 C-N-CA 123.402 2.735 . . . . 0.0 112.009 175.115 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -135.56 128.39 31.16 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -176.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.402 ' O ' ' HB2' ' A' ' 49' ' ' TRP . 44.3 m-20 -77.35 19.22 0.35 Allowed 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.814 -176.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.549 ' CZ2' HD13 ' A' ' 83' ' ' LEU . 37.5 m95 70.48 145.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 123.433 0.693 . . . . 0.0 111.406 -176.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.8 p30 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.491 -175.647 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? . . . . . 0 CA--C 1.512 -0.5 0 CA-C-O 122.632 1.206 . . . . 0.0 108.087 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.9 ttm105 -100.19 137.34 20.02 Favored Pre-proline 0 N--CA 1.434 -1.233 0 CA-C-N 113.112 -1.858 . . . . 0.0 110.17 -170.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.94 132.02 49.49 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.873 2.382 . . . . 0.0 112.378 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -116.03 152.28 33.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.599 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.525 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 39.9 mt-10 -116.92 135.97 53.31 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 121.193 -0.203 . . . . 0.0 110.724 -177.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -117.55 125.26 50.52 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.705 0.288 . . . . 0.0 110.628 178.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -124.15 112.7 17.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.919 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.737 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 64.7 mt -103.76 126.68 51.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.704 -175.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.545 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 67.0 m-85 -100.96 111.8 24.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.899 176.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -104.45 -26.0 12.58 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.247 0.546 . . . . 0.0 109.655 173.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -174.82 -168.25 35.23 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.3 mt -77.62 -30.47 52.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.102 0.477 . . . . 0.0 110.276 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -94.01 -32.01 14.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.215 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.9 t -94.61 92.21 3.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.204 -175.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.3 tp -116.46 119.71 36.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.45 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.737 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 66.7 mt -104.88 133.04 50.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.859 -177.143 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -129.11 142.08 51.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.17 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.43 ' HB3' HG23 ' A' ' 90' ' ' ILE . 21.4 ptm -154.71 134.52 12.89 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 120.809 0.337 . . . . 0.0 111.451 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -83.55 126.51 32.88 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.726 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 14.0 pt -136.61 148.1 27.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.334 0.588 . . . . 0.0 112.325 -174.287 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 54.7 p -121.22 130.56 53.75 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 172.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.4 tp -64.25 115.83 5.41 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.576 -178.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -118.95 -6.3 10.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.167 0.508 . . . . 0.0 110.398 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.808 ' HB2' HD21 ' A' ' 116' ' ' LEU . 0.3 OUTLIER -133.87 145.63 49.84 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-O 121.811 0.815 . . . . 0.0 109.579 -176.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -162.48 103.88 1.08 Allowed 'General case' 0 C--N 1.293 -1.867 0 CA-C-N 114.038 -1.437 . . . . 0.0 110.225 -177.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.631 ' HB2' ' CZ3' ' A' ' 77' ' ' TRP . 6.2 mmm180 -128.12 92.2 3.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.846 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.5 t70 65.95 -84.89 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.82 177.009 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -122.65 -5.49 8.38 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.85 -0.691 . . . . 0.0 111.652 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.796 ' HG ' ' HB3' ' A' ' 121' ' ' SER . 4.4 mm? -95.97 115.98 28.25 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.362 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.678 HD12 ' HB3' ' A' ' 45' ' ' GLN . 51.5 mt -109.25 128.62 55.21 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.522 -176.324 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.481 ' HA3' ' HB3' ' A' ' 77' ' ' TRP . . . -114.48 125.87 7.02 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.871 -177.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.726 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 55.9 m-85 -104.33 145.18 30.62 Favored 'General case' 0 C--N 1.314 -0.969 0 O-C-N 122.607 -0.349 . . . . 0.0 110.423 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -94.47 126.23 39.61 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 173.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.513 ' HA ' HG22 ' A' ' 73' ' ' ILE . 24.6 p -75.23 114.08 13.33 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.102 0.477 . . . . 0.0 110.737 -178.507 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -81.05 -37.42 29.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.475 177.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -160.66 119.33 2.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.681 176.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.43 HG23 ' HB3' ' A' ' 71' ' ' MET . 32.2 mt -102.78 132.9 47.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 172.465 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.491 ' O ' HG13 ' A' ' 95' ' ' ILE . 14.1 t70 -57.0 128.89 39.23 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 178.178 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.645 HD13 HD12 ' A' ' 95' ' ' ILE . 4.4 mm? -60.81 -35.93 77.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.056 -173.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -69.12 -41.37 77.48 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 178.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.539 ' HB3' HG23 ' A' ' 69' ' ' ILE . 20.9 m -60.81 -41.6 95.99 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.791 176.035 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.645 HD12 HD13 ' A' ' 92' ' ' LEU . 71.5 mt -58.83 -44.04 89.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 120.911 0.386 . . . . 0.0 110.596 176.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.3 t -58.82 -47.89 83.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.398 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -64.84 -38.97 92.77 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 110.562 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.514 ' O ' HG23 ' A' ' 102' ' ' VAL . 61.8 tp -59.08 -58.68 7.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.902 -179.422 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.464 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 77.4 ttt180 -67.0 -34.56 78.0 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.761 -176.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.454 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 12.7 tpp180 -62.32 -39.02 91.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.8 0.333 . . . . 0.0 110.5 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.4 tp -68.41 -34.92 76.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.161 177.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 98' ' ' LEU . 57.3 t -65.6 -43.42 94.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.134 176.52 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 99' ' ' ARG . 7.2 mm-40 -56.61 -46.59 80.81 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.599 176.274 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 95.1 mt -59.35 -34.27 72.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.482 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -94.13 5.07 52.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.648 -176.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.483 HD13 ' HA ' ' A' ' 106' ' ' LEU . 3.6 mm? 57.99 33.07 22.79 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.06 0.457 . . . . 0.0 111.269 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -76.49 106.02 2.1 Favored Glycine 0 N--CA 1.437 -1.274 0 C-N-CA 120.42 -0.895 . . . . 0.0 111.288 177.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.597 ' HB3' ' HG2' ' A' ' 110' ' ' GLU . 2.6 m-20 -36.05 117.59 0.47 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.271 0.558 . . . . 0.0 111.432 172.332 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -72.43 1.88 7.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.981 -172.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.597 ' HG2' ' HB3' ' A' ' 108' ' ' ASP . 8.2 mm-40 -57.38 -32.47 66.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.538 0.685 . . . . 0.0 109.561 176.132 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.474 HD13 ' HB ' ' A' ' 14' ' ' ILE . 86.9 mt -66.16 -23.34 66.45 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.094 -177.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.519 ' HA ' ' OG ' ' A' ' 37' ' ' SER . 97.5 mt -89.55 -20.11 24.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.753 -175.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -108.18 20.39 18.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.891 0.377 . . . . 0.0 111.445 -172.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.456 ' NE ' ' HA ' ' A' ' 111' ' ' LEU . 80.6 mtm180 -84.98 -169.42 2.64 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.546 ' O ' HD13 ' A' ' 119' ' ' LEU . 0.4 OUTLIER -115.6 154.82 28.75 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 172.642 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.808 HD21 ' HB2' ' A' ' 77' ' ' TRP . 25.3 tp -55.66 -34.77 65.29 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.11 0.413 . . . . 0.0 110.802 177.379 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.05 -18.91 62.16 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 111.836 175.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 90.4 mt -99.65 -4.34 31.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.853 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' ' 115' ' ' GLU . 8.8 mp -95.07 88.24 5.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.509 0.671 . . . . 0.0 110.058 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 121' ' ' SER . 11.5 t -93.86 168.06 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.409 -179.045 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.796 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 2.4 p -61.4 171.96 1.28 Allowed 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 122.892 0.477 . . . . 0.0 111.41 178.518 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.455 0 CA-C-O 121.144 0.497 . . . . 0.0 110.955 -177.443 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.649 HG21 HG12 ' A' ' 36' ' ' VAL . 34.0 mm . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.33 0.586 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -152.82 103.49 2.77 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.684 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -121.16 166.82 13.4 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.375 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -79.09 82.85 5.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.334 0.587 . . . . 0.0 111.366 -176.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.25 138.1 43.21 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.372 174.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.573 ' O ' ' HD2' ' A' ' 62' ' ' TYR . 37.0 t70 -73.65 114.53 12.02 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 p -107.82 113.58 26.91 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.288 0.566 . . . . 0.0 112.074 -174.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -119.7 131.33 55.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.349 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.443 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 72.2 mt -104.03 107.65 22.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 172.535 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.7 HD23 ' H ' ' A' ' 23' ' ' LEU . 2.0 pt? -112.41 152.14 29.01 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.253 0.549 . . . . 0.0 110.627 -177.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.565 ' OE1' ' HD3' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -125.83 17.19 8.0 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.701 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.76 -43.02 2.73 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.608 -174.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.605 ' HG3' ' ND2' ' A' ' 50' ' ' ASN . 2.3 mm-40 -61.81 -40.87 96.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.303 0.573 . . . . 0.0 110.154 176.202 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.1 ttt-85 -162.74 161.11 26.15 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.003 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.2 ptt180 -114.48 118.02 32.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 173.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 27.6 m-90 -97.03 123.33 40.73 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.892 -178.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -70.57 116.17 10.58 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 174.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -119.81 159.08 21.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -177.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 mp -103.97 131.34 51.3 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.464 178.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.521 HD11 ' HB ' ' A' ' 36' ' ' VAL . 64.0 tp -68.75 138.35 54.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.47 177.588 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.417 ' HB3' ' OG ' ' A' ' 121' ' ' SER . 31.9 m-70 -130.99 -37.27 1.29 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.598 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.505 ' HA ' ' HB ' ' A' ' 14' ' ' ILE . 56.3 t0 -170.15 111.2 0.42 Allowed 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.186 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.649 HG12 HG21 ' A' ' 14' ' ' ILE . 7.7 p -113.74 156.32 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 O-C-N 122.108 -0.37 . . . . 0.0 110.507 -177.673 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.475 ' OG ' ' HA ' ' A' ' 112' ' ' LEU . 3.3 t -157.05 -178.89 7.7 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 -177.232 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.461 ' HG ' ' HB3' ' A' ' 112' ' ' LEU . 92.1 mt -82.03 -2.46 51.78 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.266 0.555 . . . . 0.0 111.449 -176.505 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.697 ' HA ' ' SG ' ' A' ' 87' ' ' CYS . 13.5 p80 -121.03 21.41 11.32 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.242 -177.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' A' ' 85' ' ' PHE . . . 132.78 -159.57 23.52 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 119.916 -1.135 . . . . 0.0 112.339 178.663 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.53 HG12 HG13 ' A' ' 43' ' ' VAL . 15.9 tt -158.6 140.36 5.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.142 0.496 . . . . 0.0 111.183 -173.058 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.492 HD11 ' HB3' ' A' ' 82' ' ' LEU . 58.8 tp -111.39 114.27 27.3 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.293 175.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.53 HG13 HG12 ' A' ' 41' ' ' ILE . 14.4 m -126.57 170.35 16.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.519 -176.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.454 ' HA2' ' O ' ' A' ' 81' ' ' GLY . . . -111.55 103.8 1.6 Allowed Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 176.61 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.47 106.98 58.12 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -176.328 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -71.47 -30.18 15.54 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.948 2.432 . . . . 0.0 113.122 -176.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -90.65 175.61 6.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.209 0.528 . . . . 0.0 111.237 -174.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -98.55 163.82 12.51 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.97 177.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -88.58 176.12 7.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.191 0.52 . . . . 0.0 111.521 -174.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.605 ' ND2' ' HG3' ' A' ' 26' ' ' GLU . 23.4 p-10 . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.088 -175.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 . . . . . 0 CA--C 1.517 -0.315 0 CA-C-O 121.631 0.729 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.565 ' HD3' ' OE1' ' A' ' 24' ' ' GLN . 45.9 mtt180 -87.57 139.06 31.52 Favored Pre-proline 0 N--CA 1.444 -0.757 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.178 171.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -58.98 107.36 0.34 Allowed 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.387 2.058 . . . . 0.0 111.954 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -95.52 135.36 37.28 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.443 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 44.8 mt-10 -113.12 119.42 37.76 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.791 0.329 . . . . 0.0 110.584 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.8 107.3 19.75 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.8 177.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -96.91 111.63 23.75 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.446 177.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.86 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 75.9 mt -99.96 99.92 10.74 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 175.339 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.573 ' HD2' ' O ' ' A' ' 19' ' ' ASP . 40.1 m-85 -79.73 94.63 5.78 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.1 tp -88.97 -29.99 19.12 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -155.36 -176.38 27.47 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.994 177.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.96 -45.58 81.22 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.0 0.4 . . . . 0.0 110.372 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.95 5.55 28.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.145 0.498 . . . . 0.0 110.633 177.379 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.0 t -105.77 84.25 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.1 tp -110.73 117.47 33.53 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.126 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.86 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 55.2 mt -94.24 92.34 3.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 175.274 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.533 ' O ' ' HD3' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -105.36 123.51 47.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.608 0.718 . . . . 0.0 110.301 -178.263 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.405 ' HB2' HG12 ' A' ' 90' ' ' ILE . 20.0 ptm -127.67 121.18 29.73 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.767 -177.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -78.27 119.09 21.14 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 176.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.522 HG22 ' HA ' ' A' ' 87' ' ' CYS . 11.6 pt -133.72 161.19 41.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.234 0.54 . . . . 0.0 112.057 -172.177 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.579 ' HB2' ' NE2' ' A' ' 88' ' ' GLN . 34.1 t -119.38 139.05 52.62 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.007 173.373 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.6 tp -77.38 114.6 16.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.991 0.424 . . . . 0.0 110.361 -177.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.89 -49.97 6.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.24 -176.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -149.95 151.28 33.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.27 0.557 . . . . 0.0 111.769 -177.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -132.47 114.98 14.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.023 176.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -122.58 118.25 27.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.707 -0.224 . . . . 0.0 110.528 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.6 t70 61.54 -86.44 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.902 0.751 . . . . 0.0 111.093 -178.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.454 ' O ' ' HA2' ' A' ' 44' ' ' GLY . . . -137.27 2.66 3.22 Favored Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 177.07 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.492 ' HB3' HD11 ' A' ' 42' ' ' LEU . 80.2 mt -103.81 118.8 37.55 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.181 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.6 mp -114.09 127.97 56.17 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.705 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.31 124.72 7.88 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.126 -178.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.507 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 49.4 m-85 -109.72 143.35 39.64 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -98.56 142.25 30.38 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 175.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.697 ' SG ' ' HA ' ' A' ' 39' ' ' HIS . 28.4 p -80.1 137.97 36.86 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.499 0.666 . . . . 0.0 111.568 -172.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.579 ' NE2' ' HB2' ' A' ' 74' ' ' SER . 97.6 mt-30 -112.25 -41.15 3.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.031 175.369 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -154.33 98.45 2.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.908 0.385 . . . . 0.0 111.195 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.405 HG12 ' HB2' ' A' ' 71' ' ' MET . 51.9 mt -93.55 112.32 26.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 167.51 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -65.47 148.23 52.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.64 -172.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 39.3 tp -56.63 -34.68 67.52 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.915 0.388 . . . . 0.0 110.536 -177.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -57.67 -55.05 39.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.02 174.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.402 ' HB3' HG23 ' A' ' 69' ' ' ILE . 18.6 m -63.58 -37.02 85.74 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.947 -179.267 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 72.6 mt -60.21 -46.61 94.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.601 175.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 90.5 p -63.87 -36.93 85.53 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.467 -178.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 -66.41 -51.05 60.98 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.842 0.353 . . . . 0.0 110.303 177.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.6 tp -63.57 -46.99 83.37 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.476 -175.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -57.82 -55.7 31.53 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.777 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 26.2 mtm180 -60.94 -33.9 73.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.999 -176.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 63.4 tp -60.82 -55.22 35.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.866 0.365 . . . . 0.0 110.983 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 61.4 t -69.31 -41.09 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.054 0.454 . . . . 0.0 110.875 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -68.61 -33.91 74.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.439 -175.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 72.0 mt -78.14 -12.53 60.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.69 0.281 . . . . 0.0 111.394 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -100.11 -10.65 21.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.868 177.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 82.5 mt 59.73 39.18 21.22 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.087 175.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -100.06 42.9 1.87 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.676 -177.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 68.16 115.19 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.567 0.698 . . . . 0.0 112.408 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -19.11 62.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.044 175.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' A' ' 114' ' ' ARG . 46.6 mt-10 -59.92 -25.52 65.21 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.994 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.472 ' HA ' ' NE ' ' A' ' 114' ' ' ARG . 84.2 mt -65.12 -20.61 66.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.042 0.449 . . . . 0.0 110.638 178.604 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.475 ' HA ' ' OG ' ' A' ' 37' ' ' SER . 89.5 mt -95.95 -10.21 29.25 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.783 0.325 . . . . 0.0 110.557 176.43 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -110.19 20.22 18.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.592 -172.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.472 ' NE ' ' HA ' ' A' ' 111' ' ' LEU . 70.2 mtm180 -90.75 -165.12 1.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.767 0.317 . . . . 0.0 110.488 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.474 ' O ' HD13 ' A' ' 119' ' ' LEU . 8.3 tp10 -123.54 149.03 45.74 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 174.335 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 61.7 tp -51.57 -40.28 59.46 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 118.119 0.418 . . . . 0.0 111.429 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.76 -28.2 65.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.87 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.459 ' HG ' ' HB3' ' A' ' 115' ' ' GLU . 71.8 mt -85.99 -18.16 33.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.21 -177.447 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.474 HD13 ' O ' ' A' ' 115' ' ' GLU . 8.2 mp -77.22 110.9 12.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.504 0.668 . . . . 0.0 111.882 -173.356 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 22.0 t -106.54 161.64 5.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.236 172.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.417 ' OG ' ' HB3' ' A' ' 34' ' ' HIS . 20.7 t -87.03 165.5 15.77 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.756 0.312 . . . . 0.0 111.143 -171.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.164 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 168.938 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.4 pt . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 121.546 0.689 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.48 79.07 1.88 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.375 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -71.11 140.94 50.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.666 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -80.96 90.83 5.97 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.446 -176.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.412 ' HB1' ' O ' ' A' ' 62' ' ' TYR . . . -135.51 163.25 30.52 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.87 177.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.526 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 5.2 m-20 -62.77 111.09 1.96 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 176.483 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.6 m -112.41 96.36 5.96 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.781 0.324 . . . . 0.0 110.269 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -102.66 129.7 49.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.514 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.516 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 1.9 mp -96.57 104.76 16.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 167.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.5 mt -95.09 132.29 40.15 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.327 -174.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -120.91 90.33 3.3 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 171.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.72 -73.4 1.21 Allowed Glycine 0 N--CA 1.445 -0.733 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.527 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -137.64 -14.89 1.42 Allowed 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -173.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.6 ttt180 -95.88 144.68 26.01 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.572 -175.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -99.76 140.15 34.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.393 -175.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 14.1 m-90 -127.67 92.43 3.48 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 165.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -83.93 112.26 19.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.984 0.421 . . . . 0.0 110.283 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.414 HG22 ' N ' ' A' ' 32' ' ' LEU . 9.7 p -125.12 161.22 29.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.133 -173.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 32' ' ' LEU . 5.7 mp -85.37 135.98 33.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.635 174.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.9 tp -70.31 144.32 51.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.974 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.599 ' HB2' ' O ' ' A' ' 42' ' ' LEU . 8.9 m170 -114.78 -54.62 2.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.348 176.338 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -162.13 135.25 6.09 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.6 p -127.78 142.16 44.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 55.9 p -149.68 -168.78 3.2 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 121.328 0.585 . . . . 0.0 112.371 -172.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 40.3 tp -85.98 1.29 50.74 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.001 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.543 ' HA ' ' SG ' ' A' ' 87' ' ' CYS . 1.8 p80 -127.96 13.75 6.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.87 -176.171 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.475 ' HA3' ' O ' ' A' ' 85' ' ' PHE . . . 133.72 -147.49 19.06 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 120.259 -0.972 . . . . 0.0 112.275 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.0 tt -161.28 146.91 4.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.849 0.357 . . . . 0.0 110.692 -172.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.599 ' O ' ' HB2' ' A' ' 34' ' ' HIS . 51.4 tp -114.05 126.5 55.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.768 176.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.8 m -125.71 179.35 3.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.801 0.334 . . . . 0.0 110.558 178.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -142.12 91.83 0.18 Allowed Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -95.4 126.97 43.84 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.944 0.402 . . . . 0.0 111.807 -173.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -78.74 -10.9 15.55 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 123.004 2.47 . . . . 0.0 111.548 174.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -107.7 135.86 48.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.871 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -71.22 172.18 9.75 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.396 0.617 . . . . 0.0 111.39 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.492 ' CZ2' HD13 ' A' ' 83' ' ' LEU . 45.6 m95 -78.03 178.1 7.77 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -170.234 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 114.636 -1.166 . . . . 0.0 111.627 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 . . . . . 0 CA--C 1.509 -0.6 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.41 122.62 87.04 Favored Pre-proline 0 N--CA 1.44 -0.967 0 CA-C-N 113.425 -1.716 . . . . 0.0 110.274 174.568 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.67 140.47 62.28 Favored 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.554 2.169 . . . . 0.0 112.022 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -110.06 145.59 36.83 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.516 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 33.1 tt0 -118.68 123.59 45.28 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 174.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.401 ' HB3' ' CG ' ' A' ' 71' ' ' MET . . . -96.7 106.73 19.07 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 174.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.8 ttt85 -104.54 112.56 25.68 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.562 -175.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.618 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 77.2 mt -99.84 120.57 39.96 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.527 -176.279 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.526 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 9.8 m-85 -92.68 98.53 11.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.101 -178.069 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -95.08 -1.36 52.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.384 0.611 . . . . 0.0 109.503 175.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.88 -174.15 46.84 Favored Glycine 0 N--CA 1.441 -1.004 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.924 177.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -75.29 -38.66 60.24 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -94.55 -22.33 18.29 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.998 -176.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 55.2 t -99.96 104.86 16.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.57 -174.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -116.96 126.78 53.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.355 174.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.618 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 59.0 mt -99.38 104.03 15.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 172.153 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -104.28 136.22 44.28 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.142 0.496 . . . . 0.0 110.208 -178.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.401 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 14.7 ptp -134.13 112.06 10.82 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.138 173.316 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.52 ' HB3' ' HB3' ' A' ' 89' ' ' HIS . 10.6 tt0 -76.39 109.46 10.12 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 175.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.693 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 3.3 pt -123.68 151.28 28.32 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-O 121.498 0.666 . . . . 0.0 112.393 -166.334 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.3 m -108.55 120.4 42.33 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.695 176.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.7 tp -73.53 105.64 4.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.954 0.407 . . . . 0.0 110.328 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -112.11 -2.68 14.92 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.25 0.548 . . . . 0.0 109.724 175.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.408 ' HB2' HD21 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -123.05 141.97 51.38 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-O 122.248 1.023 . . . . 0.0 110.101 -177.147 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -162.27 107.35 1.21 Allowed 'General case' 0 C--N 1.286 -2.154 0 CA-C-N 113.25 -1.796 . . . . 0.0 110.039 -177.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -126.18 81.12 1.97 Allowed 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.067 -175.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.2 t70 62.51 -81.34 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.729 0.643 . . . . 0.0 111.796 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -119.19 -12.75 6.75 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.085 -0.578 . . . . 0.0 111.855 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.401 ' HB3' HD11 ' A' ' 42' ' ' LEU . 98.5 mt -89.48 115.04 26.61 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.665 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.492 HD13 ' CZ2' ' A' ' 49' ' ' TRP . 45.4 mt -107.81 126.13 52.26 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.416 -175.291 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -119.26 137.02 12.3 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.352 -176.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.693 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 29.6 m-85 -118.63 143.85 46.54 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 122.771 -0.252 . . . . 0.0 110.521 -178.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -94.91 142.67 27.2 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 171.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.543 ' SG ' ' HA ' ' A' ' 39' ' ' HIS . 9.0 p -72.61 114.75 11.08 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.244 0.545 . . . . 0.0 111.003 -177.728 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.414 ' HB3' ' O ' ' A' ' 72' ' ' GLU . 65.4 tt0 -96.44 -43.33 7.68 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.027 178.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.52 ' HB3' ' HB3' ' A' ' 72' ' ' GLU . 2.4 t-160 -150.0 98.97 2.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.944 176.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 46.5 mt -102.43 114.68 42.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 169.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -63.76 145.13 56.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.964 -176.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.7 mt -55.68 -37.64 68.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.788 -176.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -56.41 -52.4 64.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.626 175.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.532 ' HB3' HG23 ' A' ' 69' ' ' ILE . 60.0 m -63.9 -34.22 77.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.059 -178.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 72.5 mt -63.02 -44.38 99.59 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.087 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 175.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.1 m -62.52 -38.03 88.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.053 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -67.97 -44.65 76.22 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 177.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.79 -46.03 91.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.229 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -53.21 -48.99 67.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.87 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 19.3 tpp85 -68.63 -43.6 75.98 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.7 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 44.4 tp -57.45 -52.24 66.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.751 -177.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 95.3 t -61.62 -52.55 59.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.997 0.427 . . . . 0.0 110.901 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.88 -36.79 77.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.097 -177.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 44.5 tp -68.99 -32.77 72.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.188 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -96.43 10.61 37.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.317 -178.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 23.5 tp 68.04 27.99 6.86 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.48 0.657 . . . . 0.0 110.457 176.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -68.91 104.49 1.26 Allowed Glycine 0 N--CA 1.438 -1.232 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.575 176.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -42.48 119.42 1.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.058 0.456 . . . . 0.0 110.728 172.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.43 -22.21 66.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.435 -170.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 114' ' ' ARG . 92.4 mt-10 -65.41 -22.11 66.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.839 0.352 . . . . 0.0 110.555 -178.253 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 98.7 mt -63.26 -33.9 76.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.076 175.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.2 mt -79.84 -23.62 41.87 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.73 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -97.26 12.1 34.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.903 -170.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.425 ' HB3' ' HB2' ' A' ' 118' ' ' LEU . 84.8 mtm180 -82.01 -169.24 2.28 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 175.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.553 ' O ' HD13 ' A' ' 119' ' ' LEU . 0.4 OUTLIER -111.42 156.76 21.13 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 173.36 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.408 HD21 ' HB2' ' A' ' 77' ' ' TRP . 22.8 tp -53.32 -38.55 63.29 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 118.321 0.51 . . . . 0.0 110.844 176.478 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.54 -12.55 61.42 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 120.691 0.281 . . . . 0.0 111.721 176.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.425 ' HB2' ' HB3' ' A' ' 114' ' ' ARG . 86.4 mt -102.72 -5.69 23.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.803 0.335 . . . . 0.0 110.886 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 115' ' ' GLU . 7.2 mp -86.4 94.66 9.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.317 0.58 . . . . 0.0 110.328 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 26.1 t -88.42 144.84 8.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.367 -178.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 59.0 p -66.42 172.01 4.42 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.378 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.194 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.754 178.105 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.517 HG21 HG13 ' A' ' 102' ' ' VAL . 8.6 pt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.168 0.509 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.06 106.13 11.69 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.91 0.386 . . . . 0.0 110.825 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -106.92 125.26 50.78 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.271 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -78.43 100.44 6.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.424 -176.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -133.62 165.02 25.89 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.894 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -71.55 113.11 8.24 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.3 t -115.78 111.71 20.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.879 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.457 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 28.4 mt-10 -107.8 123.17 48.16 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.744 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.501 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 68.7 mt -97.49 119.16 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 171.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.676 HD21 HH11 ' A' ' 60' ' ' ARG . 1.8 pt? -141.69 160.82 39.4 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.423 0.63 . . . . 0.0 111.791 -174.642 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -130.69 77.96 1.81 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.6 -1.182 . . . . 0.0 108.431 172.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.6 -88.43 0.35 Allowed Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.856 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -89.83 -30.4 17.96 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -173.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -97.85 123.98 42.05 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -174.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -136.36 131.34 34.12 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.018 0.437 . . . . 0.0 111.46 -174.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 40.8 p90 -142.63 134.2 26.57 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.648 176.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.528 ' CD ' ' H ' ' A' ' 30' ' ' GLU . 0.7 OUTLIER -87.43 151.2 23.25 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.312 0.577 . . . . 0.0 111.134 -175.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.408 HG23 ' HD3' ' A' ' 46' ' ' PRO . 14.4 p -135.17 157.37 40.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.159 -176.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.413 HD22 ' N ' ' A' ' 32' ' ' LEU . 1.5 mm? -87.49 125.67 34.45 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.9 tp -75.6 143.64 42.22 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.831 -178.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -127.49 -70.84 0.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.274 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.721 ' OD2' ' HA ' ' A' ' 121' ' ' SER . 2.4 m-20 -130.1 158.62 39.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.419 -178.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.8 p -155.87 154.48 6.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.266 -178.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.501 ' HA ' HD23 ' A' ' 112' ' ' LEU . 59.5 p -155.37 -172.26 4.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.597 0.237 . . . . 0.0 110.536 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.601 ' HG ' ' HB3' ' A' ' 112' ' ' LEU . 25.9 mt -85.2 7.64 21.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.439 0.638 . . . . 0.0 109.286 177.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -110.67 -14.2 14.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.547 -176.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.483 ' HA3' ' O ' ' A' ' 85' ' ' PHE . . . 150.84 -137.6 6.17 Favored Glycine 0 N--CA 1.44 -1.087 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.64 -176.446 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.7 tt -161.62 149.29 4.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 -172.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 34.5 tp -127.9 117.12 21.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.916 0.389 . . . . 0.0 110.126 -177.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.8 m -126.29 -175.03 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.031 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -158.97 154.1 25.19 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.294 -0.955 . . . . 0.0 112.242 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 52.0 tp60 109.79 -30.58 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.094 0 C-N-CA 125.181 1.392 . . . . 0.0 114.718 172.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.408 ' HD3' HG23 ' A' ' 31' ' ' VAL . 74.2 Cg_exo -52.08 110.32 0.43 Allowed 'Trans proline' 0 C--N 1.363 1.325 0 CA-C-N 122.024 1.759 . . . . 0.0 111.567 173.281 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -69.98 -30.44 67.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.327 -171.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -150.24 -179.17 6.98 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.613 ' CZ2' HD13 ' A' ' 83' ' ' LEU . 94.6 m95 -134.75 -79.71 0.45 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.183 0.516 . . . . 0.0 110.69 -177.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.2 p30 . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.627 179.769 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 . . . . . 0 C--O 1.233 0.2 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -74.59 118.91 73.76 Favored Pre-proline 0 N--CA 1.448 -0.529 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.479 175.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.92 125.26 17.69 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.946 2.43 . . . . 0.0 112.778 -175.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -102.14 131.46 48.62 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 177.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.501 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 46.3 mt-10 -104.56 119.72 39.64 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.479 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -104.59 114.63 28.97 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 176.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.676 HH11 HD21 ' A' ' 23' ' ' LEU . 77.4 mtt85 -115.71 117.81 31.3 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.384 179.312 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.813 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 82.9 mt -99.73 107.3 19.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.119 -177.687 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -83.69 100.08 10.64 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.385 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.1 tp -98.02 -15.05 20.22 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.813 0.816 . . . . 0.0 109.096 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -161.75 -162.6 13.27 Favored Glycine 0 N--CA 1.442 -0.912 0 CA-C-N 114.478 -1.237 . . . . 0.0 110.171 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.6 mp -84.73 -32.67 23.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 117.241 0.521 . . . . 0.0 109.962 178.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -115.97 -11.59 11.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.457 176.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.4 t -86.88 84.38 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.374 0.606 . . . . 0.0 109.441 177.226 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.671 HD11 ' HB3' ' A' ' 60' ' ' ARG . 61.0 tp -115.11 118.38 33.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.522 -177.528 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.813 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 62.1 mt -89.43 97.56 7.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 173.509 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -103.18 125.48 49.89 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.271 0.557 . . . . 0.0 110.337 -176.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.5 ptm -137.67 121.86 18.03 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.532 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.532 ' HB3' ' HB3' ' A' ' 89' ' ' HIS . 35.8 tt0 -83.07 123.82 29.86 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 175.572 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.697 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 6.4 pt -132.55 157.05 42.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-O 121.64 0.733 . . . . 0.0 112.014 -170.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.6 t -121.98 124.92 45.16 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.144 -0.934 . . . . 0.0 108.785 176.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.7 tp -64.5 107.59 1.42 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.915 0.388 . . . . 0.0 110.467 -177.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -109.88 -4.79 15.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.422 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -129.86 149.12 51.73 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.848 -178.116 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -162.03 118.72 2.07 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-N 114.396 -1.275 . . . . 0.0 110.502 -176.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 79' ' ' ARG . 3.7 tpt180 -142.89 73.43 1.4 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.033 178.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 56.46 -90.58 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.052 -179.217 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.0 -25.92 18.16 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.268 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 98.7 mt -88.2 135.0 33.64 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.613 HD13 ' CZ2' ' A' ' 49' ' ' TRP . 21.2 mt -135.51 131.82 36.54 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.67 0.271 . . . . 0.0 110.784 -174.262 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -122.42 139.27 12.52 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.434 -0.888 . . . . 0.0 112.269 -176.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.697 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 73.1 m-85 -118.18 144.96 45.3 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 120.795 0.331 . . . . 0.0 110.867 -177.176 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -93.83 130.57 39.81 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 172.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.537 ' HA ' HG22 ' A' ' 73' ' ' ILE . 27.1 p -68.85 126.89 31.18 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.754 0.312 . . . . 0.0 110.235 -179.527 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -112.89 -29.2 7.46 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.759 -177.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.532 ' HB3' ' HB3' ' A' ' 72' ' ' GLU . 3.6 t-160 -159.93 99.45 1.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.28 179.083 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 46.6 mt -106.22 132.47 53.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 176.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.44 ' O ' HG13 ' A' ' 95' ' ' ILE . 14.5 t70 -75.33 146.15 41.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.481 -178.127 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.28 -38.77 84.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.43 -176.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.36 -39.75 94.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.218 0.532 . . . . 0.0 109.874 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.531 ' HB3' HG23 ' A' ' 69' ' ' ILE . 39.4 m -66.29 -37.97 86.68 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.561 178.116 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 91' ' ' ASP . 74.2 mt -63.37 -44.49 99.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.477 177.136 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 100' ' ' ARG . 44.5 m -62.31 -40.2 95.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.978 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -63.62 -45.29 90.98 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 120.781 0.324 . . . . 0.0 110.428 176.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.406 ' O ' HG23 ' A' ' 102' ' ' VAL . 53.3 tp -59.54 -56.99 14.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.841 -174.529 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -67.46 -40.48 85.34 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.278 -175.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 96' ' ' SER . 0.0 OUTLIER -61.86 -38.0 86.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.712 0.292 . . . . 0.0 110.636 177.81 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.459 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 43.3 tp -62.68 -53.77 49.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.104 177.097 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.517 HG13 HG21 ' A' ' 14' ' ' ILE . 65.3 t -59.74 -34.13 54.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.178 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -62.45 -52.7 62.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.879 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.9 mp -74.9 -21.8 59.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.896 0.379 . . . . 0.0 110.773 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 101' ' ' LEU . 7.1 t-20 -75.8 -19.85 58.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.456 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 63.72 40.44 7.77 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.824 -178.45 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -92.65 -9.59 61.18 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.74 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.5 t70 72.08 146.12 0.07 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.448 0.699 . . . . 0.0 110.794 -178.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -85.28 -4.34 59.12 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -173.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.576 ' O ' ' HG3' ' A' ' 114' ' ' ARG . 31.2 tt0 -59.97 -41.3 91.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.984 0.421 . . . . 0.0 110.408 -178.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 48.2 mt -57.79 -37.76 74.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.024 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.601 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . 96.6 mt -74.35 -25.06 59.29 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.517 -176.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -128.87 37.91 4.02 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.25 0.547 . . . . 0.0 111.721 -170.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' A' ' 110' ' ' GLU . 73.5 mtm180 -93.14 -92.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 166.317 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -172.98 166.08 5.06 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 175.057 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.4 tp -68.31 -43.09 78.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 118.003 0.365 . . . . 0.0 110.075 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.65 -17.56 64.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.02 0.438 . . . . 0.0 110.707 174.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 85.8 mt -97.74 7.16 46.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.415 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.2 mp -119.82 117.87 29.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.342 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.5 t -126.87 141.42 46.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.721 ' HA ' ' OD2' ' A' ' 35' ' ' ASP . 38.9 p -61.47 169.03 2.47 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 123.524 0.515 . . . . 0.0 111.483 -175.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.365 0 O-C-N 123.808 0.693 . . . . 0.0 111.949 179.872 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.497 HG21 HG12 ' A' ' 36' ' ' VAL . 49.6 mm . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 120.573 0.225 . . . . 0.0 110.581 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 178.71 98.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 O-C-N 124.212 0.945 . . . . 0.0 109.38 175.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -115.35 156.24 25.87 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.05 -179.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -72.75 98.4 2.39 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.947 0.879 . . . . 0.0 110.39 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.57 150.9 49.83 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.267 175.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.543 ' HB3' ' HB2' ' A' ' 62' ' ' TYR . 9.2 t70 -87.29 130.16 34.71 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 177.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.424 ' HB3' HD23 ' A' ' 61' ' ' LEU . 4.1 p -130.92 124.58 31.43 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -172.436 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.557 ' OE2' ' HD3' ' A' ' 28' ' ' ARG . 47.6 mt-10 -109.05 126.36 53.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.743 172.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.593 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 1.8 mp -109.3 110.98 34.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 171.015 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -129.74 147.63 51.54 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.171 0.51 . . . . 0.0 112.133 -171.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.606 HE21 ' HH2' ' A' ' 29' ' ' TRP . 22.3 pt20 -117.22 100.23 7.57 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.493 172.084 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.98 -94.6 0.37 Allowed Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.867 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -109.88 -11.1 14.71 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -174.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 27' ' ' ARG . 8.4 tpp180 -103.47 116.44 32.4 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 -178.461 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.557 ' HD3' ' OE2' ' A' ' 21' ' ' GLU . 10.6 ptp180 -117.15 139.79 50.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.041 0.448 . . . . 0.0 111.648 -175.115 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.606 ' HH2' HE21 ' A' ' 24' ' ' GLN . 28.4 m-90 -117.38 108.01 15.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.577 175.521 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -71.57 105.29 3.59 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 172.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.806 HG22 ' H ' ' A' ' 32' ' ' LEU . 5.5 p -131.5 -177.77 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.131 -169.299 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.806 ' H ' HG22 ' A' ' 31' ' ' VAL . 95.3 mt -96.72 119.3 34.94 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -174.177 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.447 HD22 HD22 ' A' ' 61' ' ' LEU . 29.4 tp -72.01 146.21 47.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.125 171.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 -133.73 -87.32 0.41 Allowed 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 119.661 -0.209 . . . . 0.0 110.807 177.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -118.51 162.89 17.6 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 -173.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.497 HG12 HG21 ' A' ' 14' ' ' ILE . 14.4 p -163.67 144.3 2.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 121.43 0.634 . . . . 0.0 111.86 -175.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.7 p -125.58 -175.99 3.48 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 173.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.7 mt -84.83 0.81 49.57 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.012 0.434 . . . . 0.0 110.66 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.646 ' ND1' ' HA ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -113.9 -18.63 11.72 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.113 0.483 . . . . 0.0 110.341 -178.752 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.74 159.15 24.05 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.353 -172.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.3 tt -122.41 144.88 30.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 -177.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.649 HD11 ' HB3' ' A' ' 82' ' ' LEU . 49.6 tp -118.74 111.59 18.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.96 0.41 . . . . 0.0 110.473 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.3 m -112.33 163.27 9.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.303 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -108.65 89.97 0.59 Allowed Glycine 0 N--CA 1.441 -0.989 0 C-N-CA 120.29 -0.957 . . . . 0.0 111.2 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -116.57 101.77 53.54 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-O 120.879 0.371 . . . . 0.0 110.844 -175.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -86.32 18.75 1.51 Allowed 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 123.053 2.502 . . . . 0.0 110.901 174.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -104.12 114.59 28.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.795 -177.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -71.19 156.15 39.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.19 0.519 . . . . 0.0 111.108 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -148.57 -167.7 2.89 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.776 177.623 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.576 HD21 ' HG3' ' A' ' 55' ' ' ARG . 28.1 p-10 . . . . . 0 C--N 1.331 -0.219 0 CA-C-O 120.782 0.325 . . . . 0.0 110.516 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.068 0.461 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.576 ' HG3' HD21 ' A' ' 50' ' ' ASN . 8.5 mmt180 -102.71 109.94 62.11 Favored Pre-proline 0 N--CA 1.449 -0.48 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.501 177.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -57.39 123.0 12.75 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 123.271 2.647 . . . . 0.0 112.503 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.597 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 40.9 m-85 -108.26 134.99 50.33 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.109 0.48 . . . . 0.0 110.033 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.593 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 39.6 mt-10 -103.97 128.43 51.51 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.351 -178.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -105.61 107.3 18.22 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 174.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.603 ' HG2' HD11 ' A' ' 68' ' ' LEU . 15.1 ttp180 -110.52 112.36 24.23 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -177.295 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.973 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 95.7 mt -99.91 123.71 44.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.906 -176.211 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.543 ' HB2' ' HB3' ' A' ' 19' ' ' ASP . 74.2 m-85 -104.46 112.76 25.95 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.989 -178.697 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 63' ' ' LEU . 4.0 mm? -100.95 -14.98 17.66 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 167.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.71 179.11 46.97 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 176.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 73.4 mt -77.16 -14.78 59.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 117.95 0.875 . . . . 0.0 110.173 175.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -92.56 -50.78 5.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.374 176.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.4 t -90.05 99.75 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.426 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.603 HD11 ' HG2' ' A' ' 60' ' ' ARG . 60.2 tp -116.7 125.25 51.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.33 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.973 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 39.0 mt -100.02 131.61 47.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 175.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -137.08 120.25 16.7 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.004 0.431 . . . . 0.0 111.116 -170.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.7 ptm -145.34 128.97 17.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.026 0.441 . . . . 0.0 110.867 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.512 ' HB3' ' HB3' ' A' ' 89' ' ' HIS . 63.7 tt0 -90.57 130.12 36.64 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.626 177.506 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.56 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 11.5 pt -133.54 153.48 37.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.37 -173.357 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.436 ' HB2' ' CD ' ' A' ' 88' ' ' GLN . 32.8 t -108.19 145.62 33.97 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.445 177.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.597 ' HB2' ' CE1' ' A' ' 57' ' ' PHE . 57.8 tp -74.01 111.54 9.28 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.516 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -91.51 -53.0 4.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.772 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 56.1 p-90 -153.58 140.75 19.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.094 0.473 . . . . 0.0 111.475 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.547 ' HA ' ' HG ' ' A' ' 83' ' ' LEU . . . -118.42 100.03 7.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.784 176.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -96.64 74.59 2.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.661 -176.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 62.17 -77.91 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.564 -0.743 . . . . 0.0 112.505 178.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -110.2 -22.53 6.47 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.44 -178.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.649 ' HB3' HD11 ' A' ' 42' ' ' LEU . 79.7 mt -106.23 116.73 32.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.755 0.312 . . . . 0.0 110.564 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.547 ' HG ' ' HA ' ' A' ' 78' ' ' ALA . 8.0 mp -111.58 126.72 55.3 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.028 0.442 . . . . 0.0 111.254 -179.488 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.11 128.97 9.47 Favored Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.45 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.56 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 94.0 m-85 -114.02 149.05 35.98 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.959 0.409 . . . . 0.0 111.514 -176.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -87.37 124.21 33.14 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.723 175.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.502 ' HA ' HG22 ' A' ' 73' ' ' ILE . 87.5 m -78.67 120.98 24.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.881 0.372 . . . . 0.0 110.923 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.436 ' CD ' ' HB2' ' A' ' 74' ' ' SER . 35.9 mt-30 -110.63 -67.29 1.0 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.255 -175.438 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.512 ' HB3' ' HB3' ' A' ' 72' ' ' GLU . 83.6 t60 -116.74 101.04 8.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.568 -175.372 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.484 HD11 ' HB3' ' A' ' 87' ' ' CYS . 44.2 mt -109.63 132.18 58.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.785 179.022 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.524 ' O ' HG13 ' A' ' 95' ' ' ILE . 11.5 t70 -76.32 145.28 39.65 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.115 -179.187 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 98.2 mt -65.54 -42.35 92.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.668 -176.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -63.68 -39.72 95.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.194 0.521 . . . . 0.0 109.75 176.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.466 ' HB3' ' O ' ' A' ' 91' ' ' ASP . 30.2 t -55.57 -48.65 74.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.485 173.2 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 91' ' ' ASP . 73.7 mt -58.57 -44.44 89.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.566 178.141 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 47.6 t -56.36 -45.46 80.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.732 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -63.42 -49.78 72.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 110.605 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.81 -54.8 25.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.953 -173.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -68.34 -36.84 79.85 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.463 -173.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.451 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 36.5 ttp85 -70.56 -29.95 66.54 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.35 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 55.7 tp -64.53 -40.35 95.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.071 0.462 . . . . 0.0 109.972 175.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.826 HG21 HD11 ' A' ' 112' ' ' LEU . 59.2 t -64.97 -41.6 92.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.277 176.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -55.84 -50.42 70.64 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.712 174.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 96.3 mt -60.79 -30.47 70.06 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.898 -178.153 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -91.99 -16.58 26.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.403 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.0 mp 56.24 39.33 30.26 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.444 -176.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -90.28 27.35 8.56 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.648 -0.705 . . . . 0.0 113.305 -175.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.7 t70 70.16 131.13 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 121.293 0.568 . . . . 0.0 112.104 176.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -87.4 -18.96 28.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.603 -178.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -70.34 -19.38 63.06 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.941 -0.303 . . . . 0.0 110.238 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.81 ' HA ' ' HD2' ' A' ' 114' ' ' ARG . 76.2 mt -68.95 -23.78 64.19 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 120.861 0.362 . . . . 0.0 110.372 173.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.826 HD11 HG21 ' A' ' 102' ' ' VAL . 99.5 mt -87.43 -9.89 53.43 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.281 0.562 . . . . 0.0 109.584 174.737 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -122.93 29.96 6.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.351 -173.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.81 ' HD2' ' HA ' ' A' ' 111' ' ' LEU . 6.2 mtp180 -77.64 -97.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 172.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.646 ' HA ' ' ND1' ' A' ' 39' ' ' HIS . 0.0 OUTLIER 178.05 158.38 0.45 Allowed 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 172.435 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 56.1 tp -58.56 -39.29 79.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 118.238 0.472 . . . . 0.0 110.119 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -74.98 -10.63 59.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.304 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 79.2 mt -104.02 -0.48 28.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.778 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' ' 115' ' ' GLU . 5.4 mp -89.73 104.48 17.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.395 0.617 . . . . 0.0 111.523 -178.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.8 HG12 ' H ' ' A' ' 121' ' ' SER . 2.7 t -95.48 -168.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 173.474 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.8 ' H ' HG12 ' A' ' 120' ' ' VAL . 6.7 p -80.43 171.59 14.86 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 121.871 -0.518 . . . . 0.0 110.428 -179.311 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.292 0 CA-C-O 120.949 0.404 . . . . 0.0 111.128 -179.39 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 26.7 mm . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 34' ' ' HIS . . . -163.01 120.98 1.99 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.285 178.124 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -105.52 159.31 16.04 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -178.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -95.51 30.15 2.36 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.784 0.802 . . . . 0.0 109.511 173.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.51 144.84 41.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.815 175.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -67.89 123.82 21.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.96 0.41 . . . . 0.0 110.358 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.4 t -123.18 130.73 53.15 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.113 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -124.98 122.77 38.28 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.944 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.519 HG13 HG11 ' A' ' 31' ' ' VAL . 53.1 mt -97.01 130.96 44.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 176.631 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.522 ' HB2' ' HB2' ' A' ' 58' ' ' GLU . 17.8 mt -121.85 140.36 52.48 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.469 -172.573 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.02 80.41 1.7 Allowed 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 167.461 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.68 -98.38 0.24 Allowed Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.955 -175.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -89.04 -22.59 22.88 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.562 0.22 . . . . 0.0 111.409 -178.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -82.7 113.53 20.43 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 120.774 0.321 . . . . 0.0 110.482 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -108.92 126.66 53.31 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.606 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 7.6 m-90 -121.17 121.7 38.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.539 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -81.91 104.96 12.65 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 174.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.519 HG11 HG13 ' A' ' 22' ' ' ILE . 10.9 p -106.92 158.55 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.718 -167.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tt -87.12 110.04 19.85 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 175.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.7 tp -66.57 140.48 57.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.079 -178.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.458 ' O ' ' HA ' ' A' ' 15' ' ' ALA . 47.3 m-70 -127.65 -95.66 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.366 177.192 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.58 ' OD2' ' HA ' ' A' ' 121' ' ' SER . 1.5 m-20 -118.73 148.47 42.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.64 0.257 . . . . 0.0 110.312 -170.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.8 p -140.63 151.72 20.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.717 0.294 . . . . 0.0 111.074 -175.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 77.4 p -142.94 -176.38 4.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.823 176.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 46.1 tp -83.35 -4.91 58.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.512 0.672 . . . . 0.0 109.624 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.623 ' ND1' ' HA ' ' A' ' 115' ' ' GLU . 6.3 m170 -98.45 -17.23 18.88 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-O 121.798 0.809 . . . . 0.0 109.475 -176.595 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.612 ' HA3' ' O ' ' A' ' 85' ' ' PHE . . . 154.72 -150.75 22.39 Favored Glycine 0 N--CA 1.442 -0.915 0 CA-C-N 114.424 -1.262 . . . . 0.0 112.006 -175.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.2 tt -153.8 150.27 12.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.723 0.261 . . . . 0.0 111.063 -173.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.568 HD11 ' HB3' ' A' ' 82' ' ' LEU . 24.8 tp -122.24 123.52 41.65 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.286 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.416 HG21 HD11 ' A' ' 22' ' ' ILE . 35.4 m -128.97 178.57 4.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.841 0.353 . . . . 0.0 111.46 -177.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -120.24 108.42 1.44 Allowed Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 174.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.463 ' OE1' ' HD2' ' A' ' 46' ' ' PRO . 7.5 tp60 -101.48 134.27 20.36 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-O 120.47 0.176 . . . . 0.0 111.423 -171.566 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.463 ' HD2' ' OE1' ' A' ' 45' ' ' GLN . 53.3 Cg_endo -70.73 172.31 13.83 Favored 'Trans proline' 0 C--O 1.236 0.398 0 C-N-CA 122.666 2.244 . . . . 0.0 111.531 172.29 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -75.44 88.26 2.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.0 0.429 . . . . 0.0 112.087 -176.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -166.33 20.25 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.818 0.818 . . . . 0.0 108.863 171.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 51.0 t-105 -70.07 130.03 41.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.8 -174.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.399 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 . . . . . 0 N--CA 1.451 -0.397 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.418 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 10.2 mmt180 -109.88 129.41 23.96 Favored Pre-proline 0 N--CA 1.447 -0.6 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.006 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.62 133.83 60.48 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.867 2.378 . . . . 0.0 111.505 172.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 29.0 m-85 -115.08 145.61 42.15 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.522 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 45.4 mt-10 -118.39 141.52 48.46 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.645 0.26 . . . . 0.0 110.823 -178.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.453 ' HB3' ' CG ' ' A' ' 71' ' ' MET . . . -116.82 113.28 22.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.234 175.37 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -104.59 114.96 29.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.024 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.616 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 86.3 mt -110.08 120.0 41.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.775 0.322 . . . . 0.0 111.181 -177.583 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -93.64 111.04 22.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.895 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 63' ' ' LEU . 4.0 mm? -112.34 -4.44 14.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.406 0.622 . . . . 0.0 109.777 176.128 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.83 -178.48 48.06 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 178.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.7 mp -72.34 -34.85 68.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.172 0.486 . . . . 0.0 110.137 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -99.77 -29.76 12.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.831 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -84.29 87.44 2.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.194 0.521 . . . . 0.0 110.674 -176.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.2 tp -109.9 120.05 41.27 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.71 177.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.616 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 69.3 mt -105.95 114.06 44.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.188 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 -112.09 149.94 31.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.059 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.453 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 23.1 ptm -150.15 121.99 8.15 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.967 175.226 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.407 ' HB2' ' HB3' ' A' ' 89' ' ' HIS . 43.2 mt-10 -82.67 126.79 32.74 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.602 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.59 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 5.8 pt -137.87 177.96 4.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.948 -172.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.416 ' HB2' ' OE1' ' A' ' 88' ' ' GLN . 18.3 t -146.18 160.46 41.93 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 170.21 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.573 ' HB2' ' CE1' ' A' ' 57' ' ' PHE . 11.9 tp -77.56 124.01 27.36 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.111 -0.635 . . . . 0.0 110.835 -175.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -135.12 12.72 3.58 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.217 0.532 . . . . 0.0 110.208 177.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.709 ' HB2' HD21 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -160.22 147.5 16.21 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.365 -176.864 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -162.3 115.32 1.73 Allowed 'General case' 0 C--N 1.292 -1.901 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.638 -178.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.487 ' HB2' ' CZ3' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -136.23 84.33 2.07 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 175.942 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 50.34 37.38 15.16 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 168.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 127.21 -39.19 1.99 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.617 -0.802 . . . . 0.0 111.545 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.568 ' HB3' HD11 ' A' ' 42' ' ' LEU . 94.6 mt -80.81 113.18 18.83 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 175.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.471 ' O ' ' HA ' ' A' ' 42' ' ' LEU . 83.4 mt -105.38 128.16 53.36 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.255 -177.436 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.521 ' HA3' ' HB3' ' A' ' 77' ' ' TRP . . . -109.75 132.45 11.05 Favored Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 178.358 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.612 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 91.5 m-85 -116.38 139.79 50.04 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 120.782 0.325 . . . . 0.0 110.982 -176.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -87.15 131.91 34.02 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 173.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.58 ' HA ' HG22 ' A' ' 73' ' ' ILE . 28.5 p -75.68 137.86 40.95 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.016 0.436 . . . . 0.0 111.423 -175.255 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.416 ' OE1' ' HB2' ' A' ' 74' ' ' SER . 23.4 mt-30 -109.22 -65.14 1.17 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.173 174.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 72' ' ' GLU . 49.0 t60 -130.13 105.62 8.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.052 -177.397 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 26.4 mt -111.19 112.56 41.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 170.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.432 ' O ' HG13 ' A' ' 95' ' ' ILE . 6.5 m-20 -59.93 141.06 56.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.418 -178.213 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 34.3 tp -60.19 -27.2 66.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.359 0.599 . . . . 0.0 109.829 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.16 -48.69 69.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.223 177.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.54 ' HB2' HG23 ' A' ' 69' ' ' ILE . 9.7 p -70.41 -33.07 70.94 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.524 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 91' ' ' ASP . 81.7 mt -58.44 -49.25 82.83 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 172.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.1 t -56.93 -46.39 82.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.911 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -62.48 -47.08 85.55 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.055 -178.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.453 ' HB2' HD13 ' A' ' 69' ' ' ILE . 51.7 tp -70.57 -44.49 67.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.29 -175.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 30.7 ttp85 -64.98 -43.43 92.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.578 -177.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -70.27 -26.41 63.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.537 -177.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 63.3 tp -61.24 -46.19 91.41 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.212 0.529 . . . . 0.0 109.624 174.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 49.3 t -67.06 -37.77 79.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.288 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -60.29 -53.98 51.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.236 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.89 -24.96 66.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.599 -176.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -95.19 0.0 53.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.243 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 79.5 mt 51.87 41.7 29.59 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.232 0.539 . . . . 0.0 110.865 -178.006 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -83.62 1.7 88.36 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.755 -176.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 64.69 104.96 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 123.141 0.576 . . . . 0.0 111.18 -178.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -73.4 1.97 8.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.668 -176.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -57.31 -41.9 80.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.811 174.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.444 ' HA ' ' HG3' ' A' ' 114' ' ' ARG . 74.2 mt -74.76 -8.99 58.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.494 -174.471 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.497 ' O ' HD23 ' A' ' 112' ' ' LEU . 7.9 tt -86.22 -10.75 54.08 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 177.302 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.417 ' O ' ' HE1' ' A' ' 39' ' ' HIS . 30.5 tt0 -105.26 11.89 32.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.037 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.494 ' HB2' ' CD1' ' A' ' 119' ' ' LEU . 80.7 mtm180 -70.88 130.42 41.59 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 174.181 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.623 ' HA ' ' ND1' ' A' ' 39' ' ' HIS . 7.4 tp10 -62.98 161.07 13.67 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.68 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.709 HD21 ' HB2' ' A' ' 77' ' ' TRP . 36.3 tp -57.41 -42.1 81.62 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 118.075 0.398 . . . . 0.0 110.343 175.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.75 -23.21 67.08 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.735 172.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.573 ' HG ' ' HB3' ' A' ' 115' ' ' GLU . 68.9 mt -96.06 -7.08 37.15 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.092 0.472 . . . . 0.0 110.527 178.073 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.494 ' CD1' ' HB2' ' A' ' 114' ' ' ARG . 5.3 tp -89.76 80.39 6.55 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 121.38 0.609 . . . . 0.0 110.412 -169.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 8.9 p -97.39 150.12 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 172.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.58 ' HA ' ' OD2' ' A' ' 35' ' ' ASP . 9.8 t -81.15 165.23 21.74 Favored 'General case' 0 C--N 1.313 -0.985 0 C-N-CA 120.32 -0.552 . . . . 0.0 111.407 -170.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.537 170.946 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.0 pt . . . . . 0 CA--C 1.519 -0.217 0 CA-C-O 121.532 0.682 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.467 ' HA ' HD22 ' A' ' 33' ' ' LEU . . . -128.08 84.38 2.24 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.853 -176.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -77.0 142.52 39.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.607 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -69.74 90.22 0.58 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.621 0.724 . . . . 0.0 111.564 -176.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -131.91 116.03 16.65 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.98 -1.009 . . . . 0.0 108.71 174.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.479 ' O ' ' HD2' ' A' ' 62' ' ' TYR . 64.7 m-20 -56.91 120.78 8.52 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -178.689 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' A' ' 60' ' ' ARG . 23.2 t -107.2 110.08 22.05 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.21 -177.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -96.82 120.3 36.9 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 175.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.455 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 65.9 mt -96.62 113.78 31.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.56 175.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.443 HD22 ' HG2' ' A' ' 28' ' ' ARG . 61.8 mt -99.21 137.65 37.42 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.69 -177.266 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -109.52 37.42 2.63 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 170.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.23 -62.59 4.54 Favored Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.35 -173.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.526 ' HG3' ' HG3' ' A' ' 27' ' ' ARG . 12.7 pt-20 -100.76 -37.63 8.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.645 0.259 . . . . 0.0 111.527 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.526 ' HG3' ' HG3' ' A' ' 26' ' ' GLU . 51.5 mtp85 -88.08 139.44 30.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.629 0.252 . . . . 0.0 111.023 -174.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.443 ' HG2' HD22 ' A' ' 23' ' ' LEU . 98.6 mtt180 -121.65 111.21 16.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.623 -177.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 -110.98 103.47 11.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.309 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -79.17 108.89 13.0 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 174.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.6 p -123.33 159.35 27.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.152 -172.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.2 mp -88.07 141.24 28.73 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.758 177.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.475 HD11 ' HB ' ' A' ' 36' ' ' VAL . 8.7 tt -83.75 131.47 34.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.672 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -103.73 -43.38 5.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.761 0.315 . . . . 0.0 110.791 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -160.09 137.23 9.38 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 175.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.475 ' HB ' HD11 ' A' ' 33' ' ' LEU . 14.7 p -129.07 149.41 33.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.772 0.32 . . . . 0.0 110.3 -175.664 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.8 p -164.98 -168.01 1.34 Allowed 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 120.585 0.231 . . . . 0.0 111.164 -177.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.4 mt -89.94 -15.48 31.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.23 -177.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.9 p-80 -98.09 5.9 48.14 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.004 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.55 -159.91 24.62 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.305 -0.95 . . . . 0.0 112.624 -178.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.9 tt -159.28 149.54 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.634 0.254 . . . . 0.0 110.415 -174.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.427 HD22 ' O ' ' A' ' 119' ' ' LEU . 38.5 tp -116.45 129.54 56.27 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.277 176.154 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.2 m -127.1 170.58 16.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.197 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -132.23 100.11 0.41 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.984 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.431 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 20.4 mt-30 -95.69 147.58 33.23 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-O 120.587 0.232 . . . . 0.0 110.509 -179.349 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 45' ' ' GLN . 24.4 Cg_exo -62.76 -77.03 0.02 OUTLIER 'Trans proline' 0 CA--C 1.533 0.471 0 C-N-CA 123.054 2.503 . . . . 0.0 113.762 -177.344 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -140.67 -40.6 0.41 Allowed 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -174.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -70.11 108.0 3.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.82 0.343 . . . . 0.0 110.845 -175.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -167.56 137.84 2.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.817 -177.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 . . . . . 0 C--N 1.324 -0.513 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 177.137 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 . . . . . 0 CA--C 1.511 -0.544 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 55' ' ' ARG . 9.6 ttm180 -111.48 113.52 53.51 Favored Pre-proline 0 N--CA 1.433 -1.28 0 CA-C-N 114.25 -1.341 . . . . 0.0 110.251 -172.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.73 112.92 1.09 Allowed 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.988 2.459 . . . . 0.0 112.667 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.419 ' O ' HG12 ' A' ' 73' ' ' ILE . 41.4 m-85 -106.47 134.7 49.2 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 177.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 43.0 mt-10 -108.2 114.13 27.79 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.193 -171.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.83 121.98 39.28 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.771 0.32 . . . . 0.0 110.649 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.447 ' O ' ' HA ' ' A' ' 20' ' ' SER . 70.7 mtp180 -111.41 113.4 25.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.25 178.438 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.646 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 97.8 mt -99.83 114.03 26.94 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.081 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.479 ' HD2' ' O ' ' A' ' 19' ' ' ASP . 87.3 m-85 -94.32 103.77 15.77 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.225 -177.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.503 HD23 HD13 ' A' ' 69' ' ' ILE . 4.3 mm? -97.09 -4.17 39.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.899 0.857 . . . . 0.0 108.728 171.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.84 -159.22 25.67 Favored Glycine 0 N--CA 1.441 -0.983 0 N-CA-C 109.771 -1.332 . . . . 0.0 109.771 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.7 tp -101.91 -28.34 12.46 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 176.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -92.43 -17.5 24.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.06 176.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.6 t -105.31 99.81 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.746 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.6 tp -125.59 100.7 6.57 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.747 -175.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.646 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 2.3 mp -84.64 101.78 9.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.084 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -109.64 119.84 40.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.107 0.479 . . . . 0.0 110.609 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.8 ptp -125.66 131.35 52.65 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.317 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.545 ' HB3' ' HB3' ' A' ' 89' ' ' HIS . 34.9 tt0 -97.84 104.26 16.27 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.38 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.534 HG22 ' HA ' ' A' ' 87' ' ' CYS . 4.0 pt -110.31 169.95 3.49 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.359 -168.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.2 t -120.04 136.89 54.4 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.629 178.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.2 tp -68.62 122.37 18.36 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.309 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.487 ' HB2' ' HG3' ' A' ' 86' ' ' GLU . . . -94.72 -56.32 2.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.897 0.38 . . . . 0.0 110.564 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 65.8 p-90 -144.19 147.45 33.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.77 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -130.34 122.91 28.78 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.785 177.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -132.03 103.08 6.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.649 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.3 t70 64.77 -84.45 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.228 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -128.47 -10.33 3.35 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.995 178.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 80.4 mt -85.31 116.2 23.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.932 0.396 . . . . 0.0 110.07 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 41.5 mt -113.58 114.66 26.78 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.206 -175.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -100.57 121.38 7.22 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 121.015 -0.612 . . . . 0.0 111.809 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.438 ' CB ' HD12 ' A' ' 73' ' ' ILE . 81.3 m-85 -113.7 148.52 36.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.73 0.3 . . . . 0.0 110.916 -178.309 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.487 ' HG3' ' HB2' ' A' ' 76' ' ' ALA . 50.6 mt-10 -108.89 150.09 28.19 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.88 174.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.534 ' HA ' HG22 ' A' ' 73' ' ' ILE . 11.7 p -73.91 119.21 17.82 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.999 -177.131 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -105.94 -63.17 1.28 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.295 0.569 . . . . 0.0 110.014 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.545 ' HB3' ' HB3' ' A' ' 72' ' ' GLU . 19.3 t60 -116.68 99.33 7.06 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.539 -0.755 . . . . 0.0 108.975 177.011 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.1 mt -96.72 124.82 49.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.037 -178.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -69.39 143.95 53.52 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.4 mp -60.01 -39.47 85.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.064 0.459 . . . . 0.0 110.582 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -69.24 -34.57 75.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.995 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 48.3 t -60.7 -46.74 89.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.151 176.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 64.4 mt -60.54 -44.81 97.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.363 178.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 100' ' ' ARG . 42.8 t -57.07 -57.78 11.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.342 -178.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -64.74 -33.67 76.51 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -175.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.97 -59.21 5.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.903 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 99' ' ' ARG . 24.5 ttt180 -68.98 -36.71 78.17 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.789 -179.156 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 96' ' ' SER . 0.0 OUTLIER -58.08 -42.81 86.38 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -178.547 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 57.3 tp -68.35 -52.21 35.82 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 121.056 -0.258 . . . . 0.0 110.895 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.641 HG21 HD21 ' A' ' 112' ' ' LEU . 61.0 t -64.7 -36.23 76.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 120.908 0.385 . . . . 0.0 111.723 -176.051 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -69.4 -52.2 29.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.169 -176.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.1 mp -70.38 -27.38 64.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.747 0.308 . . . . 0.0 111.139 -178.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.59 -13.62 60.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.205 0.526 . . . . 0.0 109.596 176.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.427 ' HA ' HD22 ' A' ' 106' ' ' LEU . 0.2 OUTLIER 64.22 43.86 4.68 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.781 -179.819 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -89.11 -2.76 77.13 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 174.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.6 t70 72.55 144.69 0.07 Allowed 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.807 0.843 . . . . 0.0 110.899 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -77.9 -8.06 57.58 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.221 -0.3 . . . . 0.0 110.719 -177.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -54.75 -39.74 68.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.199 0.523 . . . . 0.0 110.13 176.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 89.9 mt -70.78 -23.28 62.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.293 -178.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.641 HD21 HG21 ' A' ' 102' ' ' VAL . 94.8 mt -81.33 -21.71 39.01 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 122.143 -0.348 . . . . 0.0 110.371 178.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -110.48 23.66 13.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.715 -172.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 70.2 mtm180 -77.18 -169.17 1.28 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 173.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.458 ' O ' HD13 ' A' ' 119' ' ' LEU . 7.1 mm-40 -109.92 149.36 30.02 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 175.335 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 61.7 tp -54.25 -34.74 61.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.77 0.319 . . . . 0.0 110.781 175.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.4 -13.73 62.5 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.737 176.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 79.3 mt -96.33 -10.68 27.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.953 0.406 . . . . 0.0 110.533 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 115' ' ' GLU . 9.8 mp -94.01 105.05 17.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.49 0.662 . . . . 0.0 110.277 -178.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.917 HG12 ' H ' ' A' ' 121' ' ' SER . 3.5 t -118.01 -164.17 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 114.743 -1.117 . . . . 0.0 108.957 -176.469 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.917 ' H ' HG12 ' A' ' 120' ' ' VAL . 72.7 m -90.53 172.22 8.86 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 122.449 0.299 . . . . 0.0 111.226 -177.229 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.201 0 O-C-N 123.727 0.642 . . . . 0.0 110.594 175.802 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.9 mm . . . . . 0 N--CA 1.45 -0.456 0 CA-C-O 121.985 0.898 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' A' ' 34' ' ' HIS . . . -171.03 126.54 0.69 Allowed 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 113.744 -1.571 . . . . 0.0 108.46 176.321 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.469 ' HD2' HD11 ' A' ' 63' ' ' LEU . 1.7 m-85 -94.11 9.35 38.14 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -174.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.8 t70 54.11 81.35 0.1 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.078 -177.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.513 ' HB1' ' O ' ' A' ' 62' ' ' TYR . . . -135.17 174.78 10.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.996 -172.519 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.544 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 8.9 m-20 -81.32 108.95 15.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.643 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.444 ' HB3' HD23 ' A' ' 61' ' ' LEU . 4.0 p -118.44 120.4 37.44 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.076 -177.281 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -115.68 136.53 52.97 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.066 178.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.528 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 84.9 mt -103.33 118.89 51.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 173.388 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.632 HD22 ' HG2' ' A' ' 28' ' ' ARG . 24.4 mt -99.05 113.61 25.89 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.476 -177.094 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -93.07 79.94 4.55 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 173.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.91 -72.02 1.1 Allowed Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.045 -176.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -132.49 -20.11 2.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.822 0.344 . . . . 0.0 111.151 -177.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -91.13 129.64 37.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.153 0.501 . . . . 0.0 110.017 -176.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.632 ' HG2' HD22 ' A' ' 23' ' ' LEU . 24.7 mtt85 -109.4 121.76 45.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.223 -169.254 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 7.6 m-90 -108.4 123.34 48.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.761 176.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -80.37 103.2 10.07 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 174.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.809 HG23 ' HB2' ' A' ' 45' ' ' GLN . 7.1 p -105.69 161.04 5.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.194 -174.272 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 32' ' ' LEU . 6.2 mp -97.41 115.45 27.76 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.458 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 64.5 tp -60.29 138.54 57.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.028 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.668 ' HB2' ' HA ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -127.67 -79.15 0.58 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.083 -170.915 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.412 ' CG ' ' HA ' ' A' ' 121' ' ' SER . 5.7 m-20 -143.86 110.94 5.74 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -173.532 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.411 HG23 ' HB ' ' A' ' 41' ' ' ILE . 9.6 p -120.87 147.51 24.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.045 0.45 . . . . 0.0 112.077 -172.672 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.1 p -131.43 -179.32 5.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.645 176.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 61.2 mt -81.71 -1.35 46.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.287 0.565 . . . . 0.0 110.182 177.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.59 ' ND1' ' HA ' ' A' ' 115' ' ' GLU . 2.4 m170 -107.82 -16.03 14.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.684 0.754 . . . . 0.0 109.911 -173.648 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.483 ' HA2' ' SG ' ' A' ' 87' ' ' CYS . . . 165.93 165.55 23.47 Favored Glycine 0 N--CA 1.443 -0.866 0 CA-C-N 114.614 -1.175 . . . . 0.0 111.523 -171.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.411 ' HB ' HG23 ' A' ' 36' ' ' VAL . 11.1 tt -125.87 128.2 71.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.055 0.455 . . . . 0.0 111.039 -175.588 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.692 HD11 ' HB3' ' A' ' 82' ' ' LEU . 65.6 tp -104.13 121.17 42.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.391 175.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.668 ' HA ' ' HB2' ' A' ' 34' ' ' HIS . 15.7 m -124.76 170.57 14.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.584 178.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -128.57 124.81 4.79 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 111.126 -0.789 . . . . 0.0 111.126 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.809 ' HB2' HG23 ' A' ' 31' ' ' VAL . 27.4 tt0 -138.82 98.69 8.58 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 116.95 0.375 . . . . 0.0 111.052 -178.31 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -80.6 47.35 2.53 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.904 2.403 . . . . 0.0 111.477 175.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -129.42 171.62 12.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.76 -177.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.19 122.72 22.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.161 0.505 . . . . 0.0 110.113 177.344 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -127.66 146.86 50.41 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.212 -171.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.0 t30 . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.043 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 . . . . . 0 CA--C 1.518 -0.28 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.482 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 15.5 mmt180 -110.47 107.11 58.3 Favored Pre-proline 0 N--CA 1.448 -0.558 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.038 178.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 55' ' ' ARG . 17.3 Cg_endo -58.84 134.86 63.08 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.701 2.268 . . . . 0.0 111.54 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -104.57 135.96 45.02 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.147 0.499 . . . . 0.0 110.739 -175.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.538 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 59.9 mm-40 -107.24 127.57 53.65 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.202 178.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.89 107.95 20.55 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 175.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -107.48 105.27 15.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.832 -178.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.712 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 61.8 mt -104.4 115.09 29.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.413 -175.038 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.544 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 87.5 m-85 -93.24 110.56 22.08 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.613 176.106 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.469 HD11 ' HD2' ' A' ' 16' ' ' PHE . 4.4 mm? -100.26 -19.97 16.12 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.352 0.596 . . . . 0.0 109.793 174.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -158.59 -158.62 9.14 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.963 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -81.21 -39.34 25.56 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -108.78 -21.81 12.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.373 . . . . 0.0 110.392 177.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.4 t -75.47 95.0 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.37 -177.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 61' ' ' LEU . 42.1 tp -117.61 130.45 56.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.218 -178.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.712 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 59.7 mt -110.12 114.01 45.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -120.71 139.79 52.56 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.918 0.39 . . . . 0.0 110.626 -176.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.3 ptp -147.67 136.14 21.67 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.157 177.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.496 ' HB3' ' HB3' ' A' ' 89' ' ' HIS . 30.4 tt0 -80.74 112.74 18.4 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 175.26 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.611 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 17.5 pt -121.45 145.67 27.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.341 0.591 . . . . 0.0 111.617 -175.021 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.6 t -112.3 136.98 51.08 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.521 -0.763 . . . . 0.0 108.979 176.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 37.1 tp -71.36 111.9 7.06 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.97 0.414 . . . . 0.0 110.927 -176.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -92.06 -46.57 7.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.058 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 -157.75 148.15 20.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.888 0.375 . . . . 0.0 111.084 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -142.81 121.65 12.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.558 175.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -145.64 139.9 26.95 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.048 -176.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.6 t70 66.91 -89.6 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.827 0.705 . . . . 0.0 110.927 178.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -143.28 7.23 2.04 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 175.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.692 ' HB3' HD11 ' A' ' 42' ' ' LEU . 96.8 mt -111.4 132.47 54.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.49 -0.355 . . . . 0.0 110.315 -176.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.9 mp -120.35 124.03 44.55 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.341 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.87 111.27 3.48 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 121.105 -0.569 . . . . 0.0 111.798 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.611 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 77.8 m-85 -102.31 146.48 27.97 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -96.7 133.21 41.52 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.483 ' SG ' ' HA2' ' A' ' 40' ' ' GLY . 83.0 m -86.62 113.34 22.42 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.327 -176.259 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -92.91 -61.09 1.65 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.721 0.296 . . . . 0.0 110.848 176.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.496 ' HB3' ' HB3' ' A' ' 72' ' ' GLU . 22.1 t60 -116.62 100.78 8.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.88 0.372 . . . . 0.0 110.575 -176.026 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 21.3 mt -101.66 128.09 54.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 175.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.475 ' O ' HG13 ' A' ' 95' ' ' ILE . 9.1 t70 -67.79 137.69 55.58 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -178.001 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.82 -30.65 70.97 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.118 0.261 . . . . 0.0 111.35 -177.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -67.16 -43.02 83.32 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 175.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.56 ' HB3' HG23 ' A' ' 69' ' ' ILE . 51.5 m -67.34 -38.84 85.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.934 178.354 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 91' ' ' ASP . 78.5 mt -58.66 -45.6 90.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 121.026 0.441 . . . . 0.0 110.021 174.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.9 m -62.24 -40.65 96.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.742 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -60.42 -51.17 70.62 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.839 0.352 . . . . 0.0 110.189 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -57.65 -58.96 6.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.718 -177.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -60.52 -49.02 79.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.76 -175.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.403 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 96.8 mtt180 -67.6 -40.54 84.73 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -175.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 44.8 tp -62.82 -42.94 99.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.884 0.373 . . . . 0.0 110.839 -177.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 54.5 t -71.37 -39.88 72.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.607 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -67.7 -39.69 84.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.143 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 77.5 mt -60.15 -33.6 72.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.85 0.357 . . . . 0.0 111.14 177.672 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -87.07 -30.08 21.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.07 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.13 32.74 19.61 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.421 0.629 . . . . 0.0 109.832 -177.334 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -81.57 52.68 4.59 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.631 -177.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 58.76 80.98 0.17 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.552 0.691 . . . . 0.0 111.499 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.25 2.68 42.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.801 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -67.68 -19.24 65.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.523 0.678 . . . . 0.0 110.314 177.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.464 HD22 HH21 ' A' ' 114' ' ' ARG . 61.2 mt -71.41 -35.43 71.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.606 -0.724 . . . . 0.0 112.044 -175.08 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.0 pp -87.1 5.17 39.04 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -170.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -115.16 21.4 14.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.163 0.506 . . . . 0.0 111.274 -177.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.489 ' HB2' HD12 ' A' ' 119' ' ' LEU . 34.6 mtt180 -79.96 -91.37 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 174.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.59 ' HA ' ' ND1' ' A' ' 39' ' ' HIS . 9.0 tp10 -179.84 161.05 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 178.536 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 61.6 tp -54.6 -50.58 67.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 118.132 0.424 . . . . 0.0 110.572 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.22 -4.0 36.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.992 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.2 mt -104.06 -7.83 19.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.677 0.275 . . . . 0.0 110.996 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.489 HD12 ' HB2' ' A' ' 114' ' ' ARG . 3.9 mp -92.63 116.59 29.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.219 0.533 . . . . 0.0 110.674 179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.3 p -107.8 136.14 44.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 115.414 -0.812 . . . . 0.0 108.864 176.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.412 ' HA ' ' CG ' ' A' ' 35' ' ' ASP . 56.7 p -65.21 171.67 3.6 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.252 -173.467 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.301 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.083 172.331 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.553 HG22 ' H ' ' A' ' 15' ' ' ALA . 26.5 mm . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.59 ' HA ' HD23 ' A' ' 33' ' ' LEU . . . 81.07 -43.04 0.18 Allowed 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.027 0.931 . . . . 0.0 110.488 -177.393 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 61.05 13.74 4.86 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.286 173.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 57.37 27.87 14.47 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.229 0.537 . . . . 0.0 110.56 -174.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.42 175.4 8.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.163 178.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.555 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 69.7 m-20 -95.76 127.53 41.87 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.232 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.2 p -127.88 133.32 49.31 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.246 -177.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -122.42 150.9 41.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.33 176.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.481 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 66.6 mt -114.18 129.7 69.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 172.192 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.528 HD11 ' HD2' ' A' ' 60' ' ' ARG . 63.8 mt -113.28 152.93 29.24 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.366 -174.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -147.03 92.33 2.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.297 -0.865 . . . . 0.0 108.883 171.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.15 -93.94 0.44 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.283 -174.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.58 2.29 10.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.845 0.355 . . . . 0.0 110.606 174.097 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -75.58 140.06 42.44 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 172.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.2 ptt-85 -146.18 119.22 8.79 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.025 0.44 . . . . 0.0 111.504 -177.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.497 ' HH2' ' HB2' ' A' ' 50' ' ' ASN . 29.9 m-90 -114.97 115.34 26.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.942 178.2 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -73.9 104.73 4.88 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 171.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.67 HG21 ' HG2' ' A' ' 45' ' ' GLN . 8.2 p -115.37 168.65 6.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.539 -167.237 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.478 ' H ' HG22 ' A' ' 31' ' ' VAL . 45.1 tp -90.32 111.53 22.78 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.21 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.59 HD23 ' HA ' ' A' ' 15' ' ' ALA . 45.3 tp -74.5 148.01 41.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.987 175.7 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -124.1 -80.53 0.62 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.808 0.337 . . . . 0.0 111.212 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.523 ' OD2' ' HA ' ' A' ' 121' ' ' SER . 5.4 m-20 -134.09 165.4 25.15 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -173.059 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.512 HG12 ' CG2' ' A' ' 14' ' ' ILE . 7.6 p -160.35 153.71 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.188 0.518 . . . . 0.0 111.577 -176.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.525 ' HA ' ' HA ' ' A' ' 112' ' ' LEU . 70.1 p -138.7 -178.9 5.52 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 172.146 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 69.5 mt -83.64 3.94 30.67 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.426 0.632 . . . . 0.0 109.621 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.559 ' ND1' ' HA ' ' A' ' 115' ' ' GLU . 1.6 m170 -117.21 -10.29 10.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.054 -174.145 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 168.11 156.16 9.99 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.405 -174.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.454 ' CG2' ' HB2' ' A' ' 85' ' ' PHE . 11.8 tt -122.19 145.26 29.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.592 0.234 . . . . 0.0 110.389 -178.139 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.8 HD11 ' HB3' ' A' ' 82' ' ' LEU . 47.2 tp -121.64 117.16 26.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.396 -177.113 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.7 m -120.19 171.09 9.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.738 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -121.94 113.56 2.29 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.221 177.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.67 ' HG2' HG21 ' A' ' 31' ' ' VAL . 21.5 mt-30 -113.3 145.88 34.15 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-O 120.441 0.162 . . . . 0.0 110.652 -176.381 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -62.56 -59.28 0.26 Allowed 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 122.622 2.215 . . . . 0.0 112.429 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 179.12 -41.38 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.239 -179.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -58.72 130.58 47.58 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.907 0.384 . . . . 0.0 111.344 -176.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.459 ' HE3' ' H ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -141.35 -179.6 6.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.986 -179.217 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.497 ' HB2' ' HH2' ' A' ' 29' ' ' TRP . 8.5 t30 . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.332 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 N--CA 1.467 0.417 0 CA-C-O 121.562 0.696 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -94.99 141.42 23.23 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.22 178.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -70.73 104.53 1.49 Allowed 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.762 2.308 . . . . 0.0 112.519 -178.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -95.82 150.57 20.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.645 179.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.481 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 27.2 mt-10 -115.54 136.17 53.35 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 120.867 0.365 . . . . 0.0 111.647 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.423 ' HB3' ' CG ' ' A' ' 71' ' ' MET . . . -99.5 112.55 24.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.47 173.533 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.528 ' HD2' HD11 ' A' ' 23' ' ' LEU . 18.2 ttt180 -106.47 105.33 15.32 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.4 -176.531 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.663 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 67.9 mt -103.53 119.83 39.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.996 0.427 . . . . 0.0 110.977 -175.468 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.555 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 84.2 m-85 -94.03 104.84 16.87 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.026 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.8 tp -98.09 -14.76 20.29 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 173.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -165.0 -167.57 25.8 Favored Glycine 0 N--CA 1.44 -1.053 0 CA-C-N 113.753 -1.567 . . . . 0.0 109.196 174.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 65.4 mt -86.24 -29.31 23.23 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 117.697 0.749 . . . . 0.0 110.462 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -113.39 -9.04 13.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.343 175.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.9 t -93.25 88.11 2.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.441 HD11 ' CG ' ' A' ' 60' ' ' ARG . 50.7 tp -112.53 120.21 40.83 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.966 -175.393 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.663 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 25.6 mt -98.89 106.67 19.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 174.175 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.64 147.65 42.69 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.79 -178.534 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.423 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 19.2 ptm -149.11 134.55 18.5 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.435 -179.132 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -90.6 118.13 29.8 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.532 HG22 ' HA ' ' A' ' 87' ' ' CYS . 8.7 pt -128.41 156.95 40.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.232 0.539 . . . . 0.0 111.947 -170.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.4 p -119.46 115.85 24.91 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.481 178.002 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 55.6 tp -58.18 120.3 8.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.09 0.471 . . . . 0.0 111.039 -177.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -97.79 -57.21 2.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.011 -177.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 -140.96 149.78 42.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.014 0.435 . . . . 0.0 111.319 -176.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -134.15 114.71 13.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.708 176.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -127.35 120.88 29.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.759 0.314 . . . . 0.0 111.261 -176.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.5 t70 65.96 -87.01 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.092 177.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -138.08 2.65 2.97 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.778 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.8 ' HB3' HD11 ' A' ' 42' ' ' LEU . 93.8 mt -109.45 127.24 54.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.878 0.371 . . . . 0.0 110.137 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.7 mp -117.23 129.09 55.7 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.706 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -104.76 121.51 6.97 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.121 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.519 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 34.6 m-85 -107.14 139.26 41.85 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.963 0.411 . . . . 0.0 110.38 -179.306 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -83.53 132.8 34.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.596 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.816 ' HB3' HD11 ' A' ' 90' ' ' ILE . 75.7 m -82.97 111.11 18.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.327 -176.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -90.96 -66.2 0.95 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.241 178.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -126.89 115.38 19.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.545 -175.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.816 HD11 ' HB3' ' A' ' 87' ' ' CYS . 3.6 mp -117.59 122.78 70.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 171.438 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.462 ' O ' HG13 ' A' ' 95' ' ' ILE . 10.9 m-20 -69.35 156.75 38.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.754 0.311 . . . . 0.0 111.436 -173.654 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 71.5 mt -56.51 -54.03 50.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.234 -171.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -69.6 -29.45 66.97 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 -179.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.9 t -64.78 -44.63 89.37 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 91' ' ' ASP . 75.5 mt -57.84 -48.68 83.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.317 176.106 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.7 t -63.66 -38.12 89.93 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.711 -178.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -57.49 -53.99 51.95 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.917 0.389 . . . . 0.0 110.639 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.427 ' O ' HG23 ' A' ' 102' ' ' VAL . 2.1 tm? -63.5 -46.95 83.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.08 -178.29 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 99' ' ' ARG . 10.9 ttp180 -57.12 -51.81 67.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.411 -179.236 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.46 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 18.0 tpp85 -64.01 -34.17 77.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.786 -177.303 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 49.7 tp -65.49 -39.24 91.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.346 177.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.522 HG21 HD11 ' A' ' 112' ' ' LEU . 80.8 t -64.92 -36.62 78.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.643 177.27 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -63.98 -42.43 97.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.854 178.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 91.8 mt -68.49 -41.41 80.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.508 -177.193 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -93.66 -2.74 53.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.875 -175.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.7 mp 56.08 50.42 13.72 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.145 0.498 . . . . 0.0 110.15 -175.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -71.34 5.05 10.55 Favored Glycine 0 CA--C 1.522 0.472 0 CA-C-N 115.391 -0.822 . . . . 0.0 113.89 -176.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 71.32 108.23 0.06 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.534 0.683 . . . . 0.0 112.45 176.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -61.42 -21.96 64.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.85 175.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.605 ' O ' ' HG3' ' A' ' 114' ' ' ARG . 52.7 mt-10 -53.58 -44.58 69.46 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.779 177.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 46.5 mt -66.96 -41.83 86.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.724 -178.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.525 ' HA ' ' HA ' ' A' ' 37' ' ' SER . 93.0 mt -68.55 -27.42 66.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.866 -0.607 . . . . 0.0 112.186 -173.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -114.51 22.96 13.17 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.878 0.695 . . . . 0.0 112.878 -170.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.605 ' HG3' ' O ' ' A' ' 110' ' ' GLU . 58.3 mtm180 -84.6 -94.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 119.951 -0.699 . . . . 0.0 109.517 171.696 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.559 ' HA ' ' ND1' ' A' ' 39' ' ' HIS . 0.8 OUTLIER -178.47 165.99 1.78 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 174.458 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.45 ' H ' ' CD ' ' A' ' 115' ' ' GLU . 52.7 tp -64.63 -41.72 95.97 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 175.077 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.91 -10.59 59.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 177.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.51 HD12 ' HB2' ' A' ' 115' ' ' GLU . 95.3 mt -106.38 3.47 27.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.422 178.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 119' ' ' LEU . 4.7 tp -95.32 120.37 35.44 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.305 0.574 . . . . 0.0 111.47 -171.468 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 39.0 t -107.46 149.81 10.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 176.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.523 ' HA ' ' OD2' ' A' ' 35' ' ' ASP . 8.3 t -74.9 168.88 19.06 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.18 -178.51 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.184 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.875 177.279 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.541 HG12 HD13 ' A' ' 111' ' ' LEU . 7.3 pt . . . . . 0 N--CA 1.449 -0.525 0 CA-C-O 121.572 0.701 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.68 86.77 2.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.226 175.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -88.74 154.34 20.36 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.914 -176.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -78.49 93.04 4.71 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.69 0.757 . . . . 0.0 110.912 -178.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.46 167.87 20.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.81 177.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -101.01 133.26 45.77 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 177.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.5 t -131.04 121.48 25.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.027 0.441 . . . . 0.0 111.698 -174.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -111.8 137.75 49.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.322 174.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.0 mt -110.61 122.02 64.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 170.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 mt -114.18 175.93 5.26 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.71 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.56 40.36 0.51 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.625 0.726 . . . . 0.0 110.144 171.638 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.99 -42.41 3.15 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.386 -0.824 . . . . 0.0 113.282 -178.261 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -118.25 -48.35 2.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 117.614 0.707 . . . . 0.0 111.035 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 64.8 mtt-85 -82.84 149.9 26.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.767 179.038 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.425 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 6.9 ptp180 -140.98 131.71 25.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.215 171.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 48.8 p90 -143.05 133.99 25.52 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.988 0.423 . . . . 0.0 111.119 175.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -86.0 130.59 34.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.789 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.3 p -133.78 155.08 39.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -173.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 32' ' ' LEU . 5.5 mp -91.23 142.18 28.0 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.974 0.416 . . . . 0.0 111.151 -177.339 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 64.0 tp -75.2 145.98 41.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.265 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -129.98 -48.69 1.12 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.641 0.258 . . . . 0.0 110.561 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -158.43 165.46 34.6 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 108.401 -0.962 . . . . 0.0 108.401 175.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.1 p -162.96 139.07 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.3 0.572 . . . . 0.0 111.734 -175.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.7 p -119.89 -172.89 2.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.959 177.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.404 ' HB2' ' HB3' ' A' ' 112' ' ' LEU . 3.9 tt -85.62 1.36 49.5 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.763 0.792 . . . . 0.0 109.05 173.6 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.689 ' CE1' ' HA ' ' A' ' 115' ' ' GLU . 2.1 m170 -101.34 -47.36 4.72 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 -175.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 85' ' ' PHE . . . -165.76 -168.67 28.28 Favored Glycine 0 N--CA 1.44 -1.09 0 CA-C-N 114.746 -1.116 . . . . 0.0 111.472 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.1 tt -127.79 146.19 33.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.601 0.2 . . . . 0.0 110.833 -175.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 50.3 tp -116.26 121.34 41.73 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.814 0.34 . . . . 0.0 110.282 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.9 m -129.43 170.09 19.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.243 -177.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -114.59 111.31 2.52 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 176.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.485 ' HB3' HD13 ' A' ' 83' ' ' LEU . 8.4 tt0 -123.88 113.59 28.41 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-O 120.734 0.302 . . . . 0.0 111.254 -171.594 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -88.2 29.89 0.45 Allowed 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 123.079 2.519 . . . . 0.0 112.271 177.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.789 ' HG2' ' H ' ' A' ' 48' ' ' ASP . 5.3 tt0 -109.78 -164.22 0.92 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.771 -176.508 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.789 ' H ' ' HG2' ' A' ' 47' ' ' GLN . 13.5 t70 -135.04 179.7 6.15 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -113.7 173.21 6.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.199 0.524 . . . . 0.0 111.938 -174.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.181 -179.902 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 121.963 0.887 . . . . 0.0 108.799 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.459 ' HD3' ' HA ' ' A' ' 55' ' ' ARG . 24.8 mmt85 -105.2 123.22 40.4 Favored Pre-proline 0 N--CA 1.442 -0.84 0 CA-C-N 114.566 -1.197 . . . . 0.0 109.601 176.556 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -45.97 128.14 11.15 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 124.05 3.167 . . . . 0.0 114.199 -174.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -106.21 136.64 45.57 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 173.338 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -120.09 112.51 19.21 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.972 -0.455 . . . . 0.0 111.516 -174.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.32 121.14 38.87 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.771 0.319 . . . . 0.0 110.621 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -111.59 119.95 40.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.152 177.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.763 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 96.1 mt -99.81 111.58 23.9 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.666 177.083 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.414 ' CE1' HD11 ' A' ' 68' ' ' LEU . 72.9 m-85 -88.52 102.81 15.29 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.712 -178.321 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.41 -7.76 30.98 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 174.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.91 -176.89 48.2 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.808 178.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.2 mt -78.85 -20.07 50.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.175 0.512 . . . . 0.0 110.223 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.7 -37.84 8.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.717 177.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.9 t -84.8 91.78 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.994 -176.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.414 HD11 ' CE1' ' A' ' 62' ' ' TYR . 3.6 mm? -104.65 107.79 18.91 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.197 176.492 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.763 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 57.0 mt -93.98 92.62 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 177.632 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.539 ' O ' ' HD3' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -102.34 127.25 49.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.18 0.514 . . . . 0.0 110.699 -178.331 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.0 ptm -125.64 125.41 43.07 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.109 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -83.97 119.3 24.74 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.695 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.662 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 10.8 pt -130.27 161.09 40.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.398 0.618 . . . . 0.0 111.971 -170.686 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.3 p -130.94 137.86 49.48 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 171.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.453 HD11 ' HB3' ' A' ' 83' ' ' LEU . 7.4 tp -67.75 110.92 3.98 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.062 0.458 . . . . 0.0 110.799 -176.267 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -113.99 -8.28 13.08 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.597 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.583 ' HB2' HD21 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -132.57 149.0 52.38 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-O 121.616 0.722 . . . . 0.0 110.16 -177.104 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -162.27 116.18 1.81 Allowed 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 114.17 -1.377 . . . . 0.0 110.002 -179.093 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.548 ' HB2' ' CZ3' ' A' ' 77' ' ' TRP . 1.7 tpm_? -135.85 74.16 1.49 Allowed 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.813 -177.254 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.6 t70 66.41 -83.28 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.004 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -116.99 -9.62 10.58 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.009 -0.615 . . . . 0.0 111.792 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.527 HD13 ' HB2' ' A' ' 121' ' ' SER . 44.8 mt -105.1 113.17 26.6 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.481 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.485 HD13 ' HB3' ' A' ' 45' ' ' GLN . 4.9 mp -121.19 144.74 48.43 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.996 -174.774 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.467 ' H ' ' HB3' ' A' ' 77' ' ' TRP . . . -121.54 142.29 15.18 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.89 -177.696 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.662 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 61.8 m-85 -118.31 129.35 55.4 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 -178.006 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -82.53 129.21 34.88 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 175.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.808 ' SG ' HG12 ' A' ' 90' ' ' ILE . 18.1 t -84.4 124.11 30.95 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.244 0.545 . . . . 0.0 110.987 -173.482 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -88.32 -49.04 7.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.009 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -129.19 115.4 17.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.75 -177.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.808 HG12 ' SG ' ' A' ' 87' ' ' CYS . 0.6 OUTLIER -113.63 115.89 51.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 173.887 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.483 ' HB2' ' OG ' ' A' ' 94' ' ' SER . 22.2 m-20 -69.08 148.28 50.25 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.076 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.43 -38.98 91.83 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.042 -174.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -65.36 -38.9 91.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.089 178.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.483 ' OG ' ' HB2' ' A' ' 91' ' ' ASP . 2.3 m -58.41 -49.9 75.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.26 176.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 62.2 mt -61.33 -39.06 81.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.805 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.42 ' O ' ' HG3' ' A' ' 100' ' ' ARG . 26.4 m -64.14 -40.77 96.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.849 -179.643 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -60.34 -43.97 95.95 Favored 'General case' 0 CA--C 1.521 -0.157 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 176.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.11 -53.77 53.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 178.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -58.43 -45.01 89.34 Favored 'General case' 0 C--O 1.223 -0.294 0 C-N-CA 121.024 -0.27 . . . . 0.0 111.417 -178.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' A' ' 96' ' ' SER . 44.3 mtp180 -64.39 -42.8 95.93 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.072 -178.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 43.1 tp -62.54 -42.81 99.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.907 0.384 . . . . 0.0 110.609 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.22 -38.44 77.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.006 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -68.92 -44.38 73.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.18 -178.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.7 mp -63.14 -38.23 90.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.904 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -81.79 -19.09 41.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.581 176.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 19.4 tp 59.86 35.92 21.9 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.845 -177.465 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -100.29 64.52 0.6 Allowed Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.471 -0.786 . . . . 0.0 113.244 -174.316 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 64.28 97.06 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 173.175 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -68.36 -32.45 72.55 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.81 0.814 . . . . 0.0 109.145 172.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -68.53 -8.16 38.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.385 -1.28 . . . . 0.0 111.678 -175.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.659 ' HG ' ' NH2' ' A' ' 114' ' ' ARG . 6.4 tt -64.45 -41.0 96.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.107 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.404 ' HB3' ' HB2' ' A' ' 38' ' ' LEU . 93.4 mt -67.66 -21.13 65.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.508 -177.185 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -76.3 -24.03 54.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.316 -177.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.659 ' NH2' ' HG ' ' A' ' 111' ' ' LEU . 22.1 mtm180 -68.09 146.66 53.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.916 0.388 . . . . 0.0 110.008 -179.029 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.689 ' HA ' ' CE1' ' A' ' 39' ' ' HIS . 0.3 OUTLIER -83.56 159.42 21.65 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.779 -172.513 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.583 HD21 ' HB2' ' A' ' 77' ' ' TRP . 23.8 tp -59.67 -37.69 79.47 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 175.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.82 -22.58 65.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.109 176.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.412 HD12 ' H ' ' A' ' 115' ' ' GLU . 58.7 mt -88.37 -9.12 53.75 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.857 0.36 . . . . 0.0 110.62 178.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.469 HD13 ' O ' ' A' ' 115' ' ' GLU . 4.3 mp -101.87 107.33 18.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.614 -174.376 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 121' ' ' SER . 3.2 p -91.2 167.4 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 169.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.527 ' HB2' HD13 ' A' ' 82' ' ' LEU . 32.7 t -64.19 157.94 24.39 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 178.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.241 0.543 . . . . 0.0 110.339 176.929 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.477 ' O ' ' HA ' ' A' ' 35' ' ' ASP . 47.7 mm . . . . . 0 N--CA 1.459 -0.019 0 CA-C-O 121.336 0.589 . . . . 0.0 111.399 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -154.48 114.25 3.79 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.828 175.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -105.32 176.08 5.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.075 -177.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -96.44 28.6 3.24 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 175.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.85 133.95 38.06 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.598 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.445 ' HB3' ' HB2' ' A' ' 62' ' ' TYR . 22.6 t70 -71.28 126.82 30.63 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 176.521 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 m -122.59 120.2 33.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.999 0.428 . . . . 0.0 111.58 -173.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -117.64 119.33 34.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.517 174.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.594 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 1.7 mp -103.42 120.05 52.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 171.49 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.48 HD23 ' CB ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -138.66 169.4 17.85 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.068 0.461 . . . . 0.0 112.071 -169.785 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -129.45 43.78 3.08 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.392 -0.822 . . . . 0.0 108.826 171.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.51 -100.08 2.42 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.75 -175.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -81.1 17.93 1.16 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.226 0.536 . . . . 0.0 112.105 -173.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.1 tpm_? -143.91 101.32 3.72 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.331 176.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.48 ' CB ' HD23 ' A' ' 23' ' ' LEU . 15.4 ptp180 -93.24 136.46 33.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.408 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.433 ' HB2' ' O ' ' A' ' 22' ' ' ILE . 9.5 m-90 -116.67 94.65 4.69 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.476 170.524 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -67.46 104.84 1.64 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 175.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.579 HG11 HD13 ' A' ' 22' ' ' ILE . 9.9 p -118.5 166.06 13.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.294 -167.431 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.6 mt -96.43 127.01 42.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.2 tp -66.75 139.05 57.79 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -130.73 -28.97 1.97 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -176.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.477 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 4.5 t70 -178.76 170.09 1.59 Allowed 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 169.437 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.6 p -164.69 148.14 2.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.19 0.519 . . . . 0.0 111.336 -175.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.4 p -139.16 -173.01 3.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.862 177.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.0 tp -90.07 9.46 28.05 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.63 0.729 . . . . 0.0 109.504 176.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.582 ' ND1' ' HA ' ' A' ' 115' ' ' GLU . 6.5 m170 -113.56 -5.29 13.43 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.829 0.824 . . . . 0.0 109.211 -178.341 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 148.64 -172.2 28.86 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 114.35 -1.295 . . . . 0.0 112.052 -175.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.9 tt -134.48 151.92 32.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -173.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.916 ' HG ' HD12 ' A' ' 82' ' ' LEU . 32.6 tp -130.03 106.6 8.74 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.096 0.474 . . . . 0.0 110.05 -178.187 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.6 m -113.14 169.02 5.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.973 -178.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 81' ' ' GLY . . . -117.53 111.61 2.27 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.708 -177.518 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.684 ' HB2' HD11 ' A' ' 83' ' ' LEU . 45.1 tp60 -87.91 133.79 36.71 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -178.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 45' ' ' GLN . 43.5 Cg_exo -57.11 -71.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.454 2.103 . . . . 0.0 112.242 177.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -151.26 -53.15 0.13 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.743 0.306 . . . . 0.0 110.728 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -63.9 115.22 4.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.057 -177.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.561 ' HB2' ' HG2' ' A' ' 45' ' ' GLN . 71.9 t-105 -159.52 149.33 18.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.682 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.423 ' OD1' ' HD3' ' A' ' 55' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.868 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.1 mp0 . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.83 0.348 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.423 ' HD3' ' OD1' ' A' ' 50' ' ' ASN . 20.6 mtp180 -95.0 126.71 45.71 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.299 -179.557 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.42 150.6 46.7 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.65 2.233 . . . . 0.0 112.038 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.46 ' HB3' HG23 ' A' ' 22' ' ' ILE . 64.3 m-85 -135.83 147.97 48.5 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.22 -177.229 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.594 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 36.1 mt-10 -113.03 133.69 54.86 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -112.17 119.41 38.29 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.825 0.345 . . . . 0.0 110.911 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.537 ' HB3' HD11 ' A' ' 68' ' ' LEU . 17.0 mtm180 -114.54 112.89 23.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.222 174.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.689 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 65.3 mt -100.82 115.27 29.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.123 179.031 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.445 ' HB2' ' HB3' ' A' ' 19' ' ' ASP . 64.0 m-85 -90.54 114.15 26.3 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.074 -177.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -113.12 1.6 15.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.323 0.582 . . . . 0.0 109.733 175.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.98 -165.94 36.32 Favored Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.4 mt -83.38 -39.65 20.4 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 117.179 0.489 . . . . 0.0 110.187 178.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -96.92 -29.21 13.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.182 176.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.2 t -80.39 90.24 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.616 -176.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' ' 60' ' ' ARG . 65.7 tp -117.86 111.77 19.48 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.037 178.255 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.689 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 56.8 mt -86.98 99.38 8.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.9 ptt180 -98.18 142.48 29.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.089 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.8 ptm -149.02 130.98 15.24 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.626 174.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.475 ' HB2' ' HB3' ' A' ' 89' ' ' HIS . 36.5 mt-10 -91.5 124.71 35.88 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -179.445 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.69 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 9.2 pt -133.73 160.26 42.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.332 0.587 . . . . 0.0 111.904 -169.54 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 65.7 m -124.97 137.77 54.25 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.832 171.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.8 tp -64.59 126.04 26.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.298 -178.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.527 ' HB2' ' HG3' ' A' ' 86' ' ' GLU . . . -103.38 -48.28 4.04 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.946 0.403 . . . . 0.0 110.724 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 42.8 p-90 -151.89 147.34 26.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.514 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -137.78 117.17 12.8 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.245 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -131.59 122.67 26.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.732 -178.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 62.53 -88.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.068 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.41 ' O ' ' HA2' ' A' ' 44' ' ' GLY . . . -128.85 -15.11 2.18 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.324 179.136 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.916 HD12 ' HG ' ' A' ' 42' ' ' LEU . 3.9 mm? -87.3 122.3 30.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.304 0.573 . . . . 0.0 111.163 -176.416 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.684 HD11 ' HB2' ' A' ' 45' ' ' GLN . 38.7 mt -106.57 116.03 31.23 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.183 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -97.21 118.68 6.14 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.842 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.69 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 91.4 m-85 -114.01 136.56 52.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.399 0.142 . . . . 0.0 110.919 -178.656 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.527 ' HG3' ' HB2' ' A' ' 76' ' ' ALA . 51.6 mt-10 -85.57 135.01 33.99 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 173.309 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.549 ' HA ' HG22 ' A' ' 73' ' ' ILE . 26.3 p -81.05 128.65 33.95 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.485 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -105.24 -46.9 4.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.951 0.405 . . . . 0.0 110.685 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 72' ' ' GLU . 53.2 t60 -125.85 114.51 18.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.31 177.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.6 mp -121.87 106.36 17.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 176.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.404 ' O ' HG13 ' A' ' 95' ' ' ILE . 5.3 m-20 -59.69 144.16 48.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.558 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 85.6 mt -61.68 -34.69 76.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.114 0.483 . . . . 0.0 109.753 178.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -62.76 -45.45 92.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.625 174.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 39.1 m -60.79 -43.77 97.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.773 177.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 91' ' ' ASP . 73.0 mt -60.07 -45.17 95.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.37 177.098 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.495 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 50.5 m -57.45 -50.93 71.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.799 178.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -53.81 -50.86 65.21 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.749 0.309 . . . . 0.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 51.1 tp -63.67 -50.26 69.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.327 -175.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 40.9 ttt85 -66.0 -42.15 90.11 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.5 -175.205 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.495 ' HG2' ' O ' ' A' ' 96' ' ' SER . 30.2 mmm180 -63.39 -40.0 96.04 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.221 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.62 -46.68 89.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.714 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.514 HG21 HD11 ' A' ' 112' ' ' LEU . 99.0 t -67.09 -39.73 83.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.275 -179.178 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -66.84 -45.12 79.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.795 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 100' ' ' ARG . 10.8 mp -70.36 -9.87 57.44 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.874 -177.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -111.0 -5.41 14.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.019 176.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 20.0 tp 59.94 43.13 15.17 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.333 0.587 . . . . 0.0 110.609 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -91.29 16.54 58.61 Favored Glycine 0 C--O 1.229 -0.202 0 C-N-CA 120.957 -0.639 . . . . 0.0 113.36 -175.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 68.81 116.55 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.499 0.666 . . . . 0.0 112.14 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -71.9 -20.69 61.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.826 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -59.68 -35.4 74.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.87 -175.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 71.2 mt -65.64 -26.98 68.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.279 -177.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.514 HD11 HG21 ' A' ' 102' ' ' VAL . 87.7 mt -77.44 -12.63 59.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.06 -177.443 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.409 ' HA ' ' CE1' ' A' ' 39' ' ' HIS . 14.7 mt-10 -127.84 38.28 4.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.897 0.379 . . . . 0.0 111.677 -174.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.77 HH11 ' HG ' ' A' ' 119' ' ' LEU . 33.4 mtt180 -70.21 -100.66 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 167.482 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.626 ' HB3' ' HG ' ' A' ' 118' ' ' LEU . 9.2 tp10 -179.2 152.81 0.56 Allowed 'General case' 0 C--O 1.22 -0.489 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 171.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.62 -39.35 76.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 119.328 0.967 . . . . 0.0 110.17 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -74.92 -7.35 53.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.357 177.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.626 ' HG ' ' HB3' ' A' ' 115' ' ' GLU . 84.4 mt -105.97 -10.2 16.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 178.429 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.77 ' HG ' HH11 ' A' ' 114' ' ' ARG . 1.2 mp -90.31 110.32 21.39 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.565 0.698 . . . . 0.0 111.856 -173.574 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 44.0 t -102.73 151.43 6.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 169.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.524 ' HB2' HD11 ' A' ' 82' ' ' LEU . 40.9 t -61.41 163.24 6.9 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 120.819 0.342 . . . . 0.0 111.64 -176.37 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.283 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.14 166.133 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.685 ' O ' ' HA ' ' A' ' 35' ' ' ASP . 50.4 mm . . . . . 0 N--CA 1.449 -0.477 0 CA-C-O 121.801 0.81 . . . . 0.0 109.467 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.14 102.99 2.99 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.555 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -86.57 161.09 18.72 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -82.32 84.09 7.24 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 174.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.438 ' HB2' HD13 ' A' ' 63' ' ' LEU . . . -135.19 145.39 47.66 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.597 -174.19 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.411 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 7.7 m-20 -67.88 120.14 13.69 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 176.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.2 m -112.78 109.22 18.56 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.845 0.355 . . . . 0.0 110.818 -176.088 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -111.47 122.95 49.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.988 0.423 . . . . 0.0 111.167 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.477 HD11 HG11 ' A' ' 43' ' ' VAL . 1.8 mp -96.87 113.35 31.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 172.578 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.533 ' HB2' ' HB2' ' A' ' 58' ' ' GLU . 40.9 mt -94.61 137.91 33.13 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.632 -175.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.467 ' HB3' ' HZ3' ' A' ' 29' ' ' TRP . 50.0 tt0 -116.05 79.06 1.25 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 170.741 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.38 -83.54 0.76 Allowed Glycine 0 N--CA 1.443 -0.837 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.387 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -117.23 -5.63 11.33 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -174.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -114.17 152.34 31.33 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 121.151 -0.22 . . . . 0.0 110.489 -176.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -125.36 127.93 47.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.268 0.556 . . . . 0.0 111.798 -171.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.467 ' HZ3' ' HB3' ' A' ' 24' ' ' GLN . 10.9 m-90 -109.8 99.62 8.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.869 176.458 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -77.17 115.47 16.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.149 176.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.455 HG22 ' H ' ' A' ' 32' ' ' LEU . 9.8 p -136.93 169.58 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.727 -171.513 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.455 ' H ' HG22 ' A' ' 31' ' ' VAL . 55.1 tp -90.42 137.11 32.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.839 0.352 . . . . 0.0 111.028 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.9 tp -85.19 152.7 23.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.518 178.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -128.45 -38.46 1.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.777 -0.192 . . . . 0.0 111.478 176.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.685 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 10.8 t70 -164.65 157.65 17.05 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 174.616 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.6 p -156.94 138.88 5.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.888 0.375 . . . . 0.0 110.726 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.6 m -148.0 -169.38 3.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.074 0.464 . . . . 0.0 110.878 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 62.5 tp -69.75 -21.38 63.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.734 0.778 . . . . 0.0 111.287 -176.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -111.85 14.5 21.0 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.564 -171.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.444 ' HA3' HD13 ' A' ' 116' ' ' LEU . . . 149.92 177.79 24.27 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 119.616 -1.278 . . . . 0.0 113.714 177.267 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.7 tt -143.45 135.59 23.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.061 -0.57 . . . . 0.0 109.974 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.68 HD11 ' HB3' ' A' ' 82' ' ' LEU . 34.6 tp -109.5 116.35 31.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.66 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.477 HG11 HD11 ' A' ' 22' ' ' ILE . 34.3 m -114.7 162.88 12.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.508 178.452 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -118.8 99.32 0.77 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.787 -177.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.436 ' HG2' ' H ' ' A' ' 47' ' ' GLN . 8.7 tt0 -117.57 122.33 30.96 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 177.021 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 45' ' ' GLN . 23.7 Cg_exo -64.18 -17.2 58.85 Favored 'Trans proline' 0 CA--C 1.529 0.238 0 C-N-CA 122.83 2.353 . . . . 0.0 113.179 -177.596 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.436 ' H ' ' HG2' ' A' ' 45' ' ' GLN . 10.8 mm100 -99.14 128.51 45.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.847 0.356 . . . . 0.0 110.859 -178.039 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -89.3 100.19 13.03 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -89.44 173.98 8.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.713 -178.564 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 . . . . . 0 C--N 1.325 -0.484 0 CA-C-O 121.307 0.575 . . . . 0.0 111.09 179.895 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.477 0.179 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -84.55 125.9 70.34 Favored Pre-proline 0 C--O 1.234 0.24 0 CA-C-O 120.694 0.283 . . . . 0.0 110.801 176.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -74.13 128.69 12.42 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.33 2.02 . . . . 0.0 111.528 175.088 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.494 ' CE2' ' HB2' ' A' ' 75' ' ' LEU . 43.6 m-85 -123.19 154.4 38.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.145 -178.501 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.533 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 43.8 mt-10 -117.42 138.3 51.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.782 0.325 . . . . 0.0 111.001 177.263 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.537 ' HB2' HD13 ' A' ' 73' ' ' ILE . . . -106.06 117.35 33.81 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.169 175.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -113.59 110.87 20.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.952 178.141 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.578 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 88.8 mt -106.37 116.45 31.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.385 -178.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.411 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 61.3 m-85 -101.04 102.31 13.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.156 -177.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.438 HD13 ' HB2' ' A' ' 18' ' ' ALA . 4.4 mm? -88.89 -9.39 51.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.607 0.717 . . . . 0.0 109.272 175.431 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 177.34 -169.47 41.67 Favored Glycine 0 N--CA 1.442 -0.958 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 178.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.4 tp -80.5 -29.73 37.3 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 117.556 0.678 . . . . 0.0 110.009 177.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -97.35 -31.99 12.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.514 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.3 t -88.61 99.24 8.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.658 -177.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 65.6 tp -119.03 126.53 51.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.722 -178.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.578 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 60.2 mt -113.41 135.84 51.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 175.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -145.79 146.88 31.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.197 0.523 . . . . 0.0 111.636 -175.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -152.94 141.58 20.91 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.186 173.11 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -81.84 111.91 18.49 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 174.081 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.562 HG22 ' HA ' ' A' ' 87' ' ' CYS . 23.3 pt -110.65 166.23 5.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.469 0.652 . . . . 0.0 111.572 -172.514 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.2 p -127.53 133.46 49.81 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.367 -0.833 . . . . 0.0 108.893 173.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.494 ' HB2' ' CE2' ' A' ' 57' ' ' PHE . 63.8 tp -58.74 119.87 7.92 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 177.712 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -101.44 -50.72 3.66 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.149 -178.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 -157.65 144.97 18.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.147 0.499 . . . . 0.0 111.816 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -122.17 113.43 19.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.175 173.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -120.91 96.99 5.33 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.681 0.277 . . . . 0.0 111.588 -174.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.3 t70 62.36 10.07 3.69 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 168.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 132.7 -22.97 4.04 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.443 -0.884 . . . . 0.0 111.919 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.68 ' HB3' HD11 ' A' ' 42' ' ' LEU . 95.1 mt -93.21 113.18 25.32 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 175.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.1 mp -108.55 119.76 40.47 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.972 0.415 . . . . 0.0 110.918 -178.307 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -103.2 114.72 4.94 Favored Glycine 0 N--CA 1.439 -1.158 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.447 178.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.414 ' CG ' HD12 ' A' ' 73' ' ' ILE . 84.4 m-85 -100.0 141.69 32.47 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.075 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -93.92 125.49 38.57 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 178.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.562 ' HA ' HG22 ' A' ' 73' ' ' ILE . 78.0 m -74.19 108.67 7.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.526 178.685 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -81.92 -61.86 1.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -116.82 108.49 15.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.285 178.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 90' ' ' ILE . 3.3 mp -99.47 125.35 53.06 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 174.36 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.498 ' HB3' ' HB2' ' A' ' 94' ' ' SER . 27.5 t70 -60.74 144.05 53.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 123.046 0.216 . . . . 0.0 110.605 -178.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.5 mp -58.94 -41.8 88.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.135 -176.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -73.93 -29.13 61.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.351 0.596 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.498 ' HB2' ' HB3' ' A' ' 91' ' ' ASP . 23.1 t -62.51 -43.93 97.61 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.586 174.414 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 67.8 mt -65.56 -47.08 87.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.104 178.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.477 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 33.2 p -62.64 -42.91 99.86 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.566 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -58.87 -48.26 82.01 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.649 0.261 . . . . 0.0 110.675 176.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.06 -47.66 84.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.399 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.574 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 2.7 tpt180 -63.02 -48.17 79.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.331 -178.068 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' A' ' 96' ' ' SER . 29.1 mmm180 -64.97 -34.92 79.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.825 0.345 . . . . 0.0 110.711 -178.386 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 45.8 tp -61.04 -42.7 98.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.776 175.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.824 HG21 HD11 ' A' ' 112' ' ' LEU . 42.0 t -58.83 -41.92 84.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.054 176.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.574 ' HG2' ' O ' ' A' ' 99' ' ' ARG . 5.1 mm-40 -61.82 -35.11 77.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.057 0.455 . . . . 0.0 110.346 179.44 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 94.6 mt -79.46 -42.28 25.69 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.167 -174.128 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 34.2 p30 -98.16 -2.23 40.38 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.7 -176.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 9.3 mp 63.39 30.58 15.45 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 123.611 0.569 . . . . 0.0 112.243 178.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.458 ' O ' HG13 ' A' ' 102' ' ' VAL . . . -75.28 70.94 1.82 Allowed Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 172.37 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -36.27 138.39 0.21 Allowed 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -169.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' A' ' 113' ' ' GLU . 14.1 pt-20 -66.16 -12.44 55.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.145 -1.389 . . . . 0.0 112.91 -172.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.63 -38.23 71.81 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.313 0.578 . . . . 0.0 109.877 178.705 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.5 ' HB3' ' NH1' ' A' ' 114' ' ' ARG . 46.7 mt -72.44 -27.54 62.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.58 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.824 HD11 HG21 ' A' ' 102' ' ' VAL . 96.0 mt -77.21 -19.28 56.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.608 179.107 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 66.8 mm-40 -100.86 18.38 19.68 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.682 -173.643 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.766 HH21 ' HA ' ' A' ' 119' ' ' LEU . 57.9 mtm-85 -79.14 -160.52 0.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 175.629 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.601 ' O ' HD13 ' A' ' 119' ' ' LEU . 0.5 OUTLIER -117.21 158.35 24.44 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 173.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.444 HD13 ' HA3' ' A' ' 40' ' ' GLY . 59.5 tp -57.93 -34.03 69.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 118.133 0.424 . . . . 0.0 110.278 178.327 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -72.68 -11.06 60.48 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.614 175.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.425 ' HB2' ' H ' ' A' ' 115' ' ' GLU . 68.9 mt -105.37 -0.1 26.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.385 178.465 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.766 ' HA ' HH21 ' A' ' 114' ' ' ARG . 5.9 mp -90.22 91.93 8.72 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.158 0.504 . . . . 0.0 109.842 179.075 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 8.9 t -107.77 163.15 5.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.47 -178.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.0 p -74.59 171.79 13.21 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.83 0.348 . . . . 0.0 111.311 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.33 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -172.404 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.1 mm . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 121.329 0.585 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -156.52 93.13 1.36 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.545 177.476 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -91.67 153.65 19.54 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.833 -178.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -77.28 78.74 3.8 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 171.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.81 138.19 53.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.599 -174.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.508 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 4.6 m-20 -63.51 117.76 7.19 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 176.088 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.0 m -115.39 113.25 23.51 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.91 0.386 . . . . 0.0 110.401 -177.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -117.79 125.01 49.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.21 178.092 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.471 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 80.5 mt -96.93 118.92 44.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 174.178 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.668 HD22 ' HG2' ' A' ' 28' ' ' ARG . 31.0 mt -106.84 153.07 23.04 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.039 0.447 . . . . 0.0 110.99 -174.618 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -149.82 89.21 1.59 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.233 170.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.32 -83.81 0.43 Allowed Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.464 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -111.98 -27.55 8.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.92 0.39 . . . . 0.0 111.109 -177.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -86.88 138.17 31.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.882 0.372 . . . . 0.0 111.434 -170.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.668 ' HG2' HD22 ' A' ' 23' ' ' LEU . 52.1 mtt180 -125.14 111.26 15.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.663 -176.044 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 25.8 m-90 -98.49 106.01 18.23 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.281 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -71.99 110.78 6.71 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 172.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.4 p -126.15 153.8 34.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.027 0.442 . . . . 0.0 111.542 -171.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.56 139.4 30.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.03 176.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.0 tp -80.33 143.09 33.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.093 -177.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -116.03 -38.92 3.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.622 176.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -175.41 165.54 3.26 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 177.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.0 p -162.15 147.07 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.048 0.451 . . . . 0.0 110.995 178.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.1 p -145.16 -167.97 2.82 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.277 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.1 tp -87.78 12.72 12.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.859 0.838 . . . . 0.0 109.229 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.548 ' ND1' ' HA ' ' A' ' 115' ' ' GLU . 10.5 m170 -110.58 -13.21 14.26 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.657 178.507 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.467 ' HA3' ' O ' ' A' ' 85' ' ' PHE . . . 144.98 -158.56 27.67 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 114.663 -1.153 . . . . 0.0 112.304 -175.671 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.8 tt -140.73 148.35 21.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.83 0.347 . . . . 0.0 110.851 -172.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.468 HD11 ' HB3' ' A' ' 82' ' ' LEU . 56.3 tp -121.24 121.49 37.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.338 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.458 HG21 HD11 ' A' ' 22' ' ' ILE . 22.1 m -132.03 -177.26 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.599 178.718 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.481 ' O ' ' HD3' ' A' ' 46' ' ' PRO . . . -107.45 171.0 16.01 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.998 179.036 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -112.0 92.27 17.68 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-O 120.817 0.341 . . . . 0.0 110.679 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.481 ' HD3' ' O ' ' A' ' 44' ' ' GLY . 2.5 Cg_endo -88.63 -68.59 0.01 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 123.247 2.631 . . . . 0.0 113.403 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.5 mp0 -84.21 -167.48 1.78 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.832 0.349 . . . . 0.0 111.126 -174.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -64.55 126.23 27.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.474 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.416 ' HH2' HG21 ' A' ' 22' ' ' ILE . 75.4 t-105 -135.5 137.66 42.33 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.029 -173.598 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.5 m120 . . . . . 0 N--CA 1.464 0.237 0 CA-C-O 120.865 0.364 . . . . 0.0 110.845 179.087 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.505 ' O ' ' HD3' ' A' ' 56' ' ' PRO . 53.1 tp60 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 121.377 0.608 . . . . 0.0 109.569 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 55' ' ' ARG . 7.9 mmt180 -93.2 113.18 59.28 Favored Pre-proline 0 N--CA 1.449 -0.492 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.989 -177.502 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.505 ' HD3' ' O ' ' A' ' 54' ' ' GLN . 17.5 Cg_exo -65.61 137.4 50.08 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.571 2.181 . . . . 0.0 110.866 169.558 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -126.76 161.65 27.66 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.789 0.328 . . . . 0.0 110.86 -177.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.537 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 42.8 mt-10 -120.67 148.74 43.53 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 178.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -124.97 124.26 41.63 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.134 0.493 . . . . 0.0 111.819 -178.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.449 ' HD3' ' OH ' ' A' ' 62' ' ' TYR . 94.0 mtt180 -105.36 119.4 38.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.073 173.437 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.863 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 97.7 mt -113.13 109.46 18.83 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 174.646 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.508 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 46.9 m-85 -92.33 109.18 20.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.839 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.401 ' HG ' HD22 ' A' ' 101' ' ' LEU . 3.6 mm? -105.65 -6.9 18.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.369 0.604 . . . . 0.0 109.87 175.595 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -178.66 -158.42 21.19 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.101 -179.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.437 ' H ' HD12 ' A' ' 65' ' ' LEU . 4.5 mp -81.82 -50.85 8.74 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.695 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -101.11 -11.65 19.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.438 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.7 t -90.04 84.28 2.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.727 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.2 tt -123.19 137.05 54.99 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.733 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.863 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 75.0 mt -107.83 113.87 44.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.951 177.448 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 70' ' ' ARG . 41.9 ttm105 -110.21 114.92 28.79 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.158 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 18.6 ptm -137.93 116.69 12.27 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.92 -177.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -71.0 134.93 47.54 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 174.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.608 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 9.2 pt -130.08 150.61 34.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.475 0.655 . . . . 0.0 111.84 -172.664 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.3 m -108.31 122.46 47.01 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.311 175.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.96 110.49 1.36 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 178.058 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -89.39 -44.76 9.96 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.823 -175.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 60.3 p-90 -156.58 158.2 36.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.317 0.58 . . . . 0.0 111.517 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -139.68 105.44 5.15 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.324 -0.853 . . . . 0.0 108.829 177.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -117.86 105.51 12.01 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.71 -173.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.4 t70 62.82 -87.97 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.48 -178.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -124.89 6.65 8.31 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.963 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.468 ' HB3' HD11 ' A' ' 42' ' ' LEU . 59.4 mt -106.23 122.05 45.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.936 0.398 . . . . 0.0 110.872 -177.153 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.412 ' HB2' HG23 ' A' ' 43' ' ' VAL . 80.4 mt -104.09 114.87 29.42 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.027 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.97 121.92 6.73 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.113 -179.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.608 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 75.2 m-85 -115.47 145.39 42.64 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.7 0.286 . . . . 0.0 110.625 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -95.77 138.42 33.44 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 174.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 12.7 p -71.98 111.71 7.46 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.018 0.437 . . . . 0.0 110.167 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -87.81 -49.8 6.87 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.361 -176.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -147.74 138.23 23.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.315 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 27.1 mt -134.24 132.76 55.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.775 0.322 . . . . 0.0 110.551 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.456 ' O ' HG13 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -66.29 136.39 55.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.566 176.806 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.2 mp -61.52 -35.44 77.71 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -175.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -66.9 -43.08 84.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.107 0.48 . . . . 0.0 109.767 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.553 ' HB3' HG23 ' A' ' 69' ' ' ILE . 41.6 m -58.5 -44.37 89.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.465 174.619 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 91' ' ' ASP . 77.5 mt -57.8 -44.37 85.98 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.152 175.44 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.1 m -62.15 -36.17 81.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.058 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -67.27 -51.3 54.52 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 176.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.21 -47.01 84.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.382 -178.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.416 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 51.7 ttt-85 -53.47 -58.08 8.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.224 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 -66.46 -36.28 82.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.649 -176.084 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.491 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 63.4 tp -57.52 -49.88 74.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.694 179.233 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.584 HG21 HD11 ' A' ' 112' ' ' LEU . 85.9 t -66.42 -38.81 82.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.386 -178.085 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.709 ' HA ' ' HA2' ' A' ' 107' ' ' GLY . 50.5 mt-10 -59.25 -47.84 83.84 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.794 0.331 . . . . 0.0 110.722 178.12 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.51 -13.66 59.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.491 ' HB2' ' O ' ' A' ' 101' ' ' LEU . 10.5 t-20 -83.18 -29.37 28.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.123 0.487 . . . . 0.0 110.95 -177.499 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 44.9 tp -176.53 -33.46 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.295 -0.866 . . . . 0.0 108.682 -178.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.709 ' HA2' ' HA ' ' A' ' 103' ' ' GLU . . . 87.24 7.98 75.77 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 114.975 -1.012 . . . . 0.0 113.069 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.433 ' OD2' ' HG ' ' A' ' 111' ' ' LEU . 16.9 t70 -85.12 110.58 19.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.962 0.411 . . . . 0.0 110.234 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -89.11 -8.43 53.83 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.783 -178.188 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -70.53 -39.11 74.26 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.433 ' HG ' ' OD2' ' A' ' 108' ' ' ASP . 84.2 mt -57.54 -34.23 68.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.413 174.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.584 HD11 HG21 ' A' ' 102' ' ' VAL . 87.4 mt -78.96 -14.09 59.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.759 0.314 . . . . 0.0 111.085 -178.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -127.83 37.18 4.23 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.246 0.546 . . . . 0.0 110.677 -172.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -75.85 -98.18 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 171.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.696 ' O ' HD13 ' A' ' 119' ' ' LEU . 0.1 OUTLIER -178.4 154.37 0.8 Allowed 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 171.457 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 61.2 tp -59.29 -37.78 78.54 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 177.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.5 -18.2 63.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.378 175.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 82.3 mt -101.6 2.55 39.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.558 -178.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.696 HD13 ' O ' ' A' ' 115' ' ' GLU . 5.7 mp -93.66 114.65 27.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.11 0.481 . . . . 0.0 109.896 178.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 121' ' ' SER . 6.4 t -111.08 167.51 4.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.232 -174.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.469 ' N ' HG12 ' A' ' 120' ' ' VAL . 75.5 m -82.9 172.09 13.19 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.083 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.223 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.641 176.212 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.1 pt . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 121.212 0.529 . . . . 0.0 111.709 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.46 86.72 1.35 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.222 172.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.98 143.73 35.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.835 -178.258 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -86.64 90.03 8.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.231 0.538 . . . . 0.0 110.634 -178.368 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -107.04 145.05 32.81 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.386 176.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.547 ' HB3' ' HB2' ' A' ' 62' ' ' TYR . 13.9 t70 -66.92 115.97 7.25 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.6 m -115.95 125.86 53.11 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.737 -170.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -134.93 132.93 39.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.911 171.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.686 HD13 HG11 ' A' ' 31' ' ' VAL . 1.5 mp -97.38 129.0 48.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.43 178.248 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.782 HD22 ' HG2' ' A' ' 28' ' ' ARG . 26.5 mt -108.88 148.68 30.26 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.727 -175.222 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.22 50.25 1.32 Allowed 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 169.743 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.23 -80.92 0.83 Allowed Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.838 -175.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -85.39 -31.77 22.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.938 0.399 . . . . 0.0 111.023 -177.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -97.38 145.09 26.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 -173.189 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.782 ' HG2' HD22 ' A' ' 23' ' ' LEU . 40.4 mtp180 -132.05 125.2 30.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.484 -174.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 -127.35 108.16 10.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.915 0.388 . . . . 0.0 111.415 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -64.91 124.96 23.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.975 175.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.686 HG11 HD13 ' A' ' 22' ' ' ILE . 9.8 p -131.31 164.1 35.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.846 0.355 . . . . 0.0 111.123 -171.516 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 mp -97.55 125.11 42.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.55 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.1 tp -79.36 146.93 32.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.454 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -129.68 -38.43 1.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.544 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.499 ' OD2' ' HG ' ' A' ' 119' ' ' LEU . 6.2 t70 -165.77 167.45 16.98 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.346 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.5 p -165.14 140.01 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.891 0.377 . . . . 0.0 110.411 -177.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.422 ' HB3' ' O ' ' A' ' 112' ' ' LEU . 50.5 m -152.52 -170.03 3.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.611 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.453 ' HG ' ' HB3' ' A' ' 112' ' ' LEU . 21.2 mt -74.08 -9.2 58.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.453 0.644 . . . . 0.0 110.449 -178.584 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -93.36 -23.99 18.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.113 -175.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.634 ' HA2' ' HB2' ' A' ' 87' ' ' CYS . . . 157.77 -145.03 11.19 Favored Glycine 0 N--CA 1.44 -1.042 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.658 -175.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.2 tt -154.94 144.65 13.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 120.794 0.331 . . . . 0.0 110.519 -173.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.534 HD22 ' O ' ' A' ' 119' ' ' LEU . 35.7 tp -115.95 117.06 29.09 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.113 0.483 . . . . 0.0 110.365 177.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.455 HG23 ' HB2' ' A' ' 83' ' ' LEU . 30.7 m -123.05 175.45 5.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.731 175.671 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -127.5 132.91 7.68 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.362 -178.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.604 ' HB3' HD11 ' A' ' 83' ' ' LEU . 10.7 pt20 -84.63 120.58 74.24 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-O 120.915 0.388 . . . . 0.0 110.719 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -93.95 3.88 2.96 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 123.117 2.545 . . . . 0.0 112.065 176.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.455 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 50.8 tp60 -157.09 175.58 13.88 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -174.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.455 ' H ' ' HG3' ' A' ' 47' ' ' GLN . 20.4 t70 -59.18 142.93 50.45 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.314 0.384 . . . . 0.0 110.529 177.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 61.5 t-105 -94.15 153.25 18.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.162 0.506 . . . . 0.0 111.569 -172.397 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.8 t30 . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.808 -178.876 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -108.95 118.21 52.02 Favored Pre-proline 0 N--CA 1.449 -0.521 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.335 -175.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_exo -50.51 142.07 31.64 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 123.976 3.117 . . . . 0.0 114.073 -176.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.461 ' CD1' ' HE1' ' A' ' 85' ' ' PHE . 61.7 m-85 -123.94 143.98 50.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.923 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.509 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 42.9 mt-10 -104.27 137.88 41.54 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.382 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -107.17 117.05 33.05 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.789 0.328 . . . . 0.0 111.246 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.6 mtt180 -103.98 107.62 18.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.245 173.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 1.023 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 90.8 mt -105.41 102.88 12.33 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.035 177.155 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.547 ' HB2' ' HB3' ' A' ' 19' ' ' ASP . 70.5 m-85 -80.93 106.88 13.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.991 179.41 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.439 HD23 HG11 ' A' ' 67' ' ' VAL . 45.4 tp -102.86 -23.02 13.78 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.248 0.547 . . . . 0.0 109.875 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -159.84 -159.22 9.65 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.049 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.8 tp -82.16 -43.11 18.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.88 0.371 . . . . 0.0 110.139 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -104.89 -13.58 15.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.512 177.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.439 HG11 HD23 ' A' ' 63' ' ' LEU . 31.7 t -90.67 86.11 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-O 121.321 0.581 . . . . 0.0 110.568 -178.237 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.9 tp -109.89 116.01 30.85 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.794 176.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 1.023 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 58.3 mt -83.84 104.0 11.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.813 177.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 70' ' ' ARG . 16.7 ttt-85 -108.1 111.11 22.98 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.524 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.6 ptp -130.26 136.42 49.17 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 174.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.553 ' HB2' ' HB3' ' A' ' 89' ' ' HIS . 89.6 mt-10 -95.0 115.86 27.97 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.55 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 8.7 pt -115.59 153.65 17.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.659 -168.674 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.3 p -114.48 118.88 35.04 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.548 176.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 55.1 tp -57.97 115.07 2.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.95 0.405 . . . . 0.0 110.608 -178.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -91.12 -50.8 5.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.839 -175.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 66.2 p-90 -145.26 147.43 32.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.576 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -143.84 113.25 6.94 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.381 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -156.81 144.28 19.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.675 0.274 . . . . 0.0 111.196 -179.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 59.85 24.34 13.37 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.167 171.176 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.69 -19.21 55.65 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.723 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.7 mt -86.96 129.21 34.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.984 0.421 . . . . 0.0 110.831 -178.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.604 HD11 ' HB3' ' A' ' 45' ' ' GLN . 75.6 mt -114.52 110.65 20.15 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.217 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -104.19 113.04 4.3 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.959 -0.638 . . . . 0.0 111.884 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.55 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 54.4 m-85 -104.4 141.18 36.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.924 0.392 . . . . 0.0 110.621 -179.138 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -87.28 127.06 35.18 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 174.266 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.695 ' SG ' HG12 ' A' ' 90' ' ' ILE . 3.2 t -71.85 101.02 2.53 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.187 0.518 . . . . 0.0 109.635 -179.279 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -85.3 -61.51 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.798 -171.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.553 ' HB3' ' HB2' ' A' ' 72' ' ' GLU . 10.7 t-160 -118.18 98.38 6.27 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.441 -179.47 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.695 HG12 ' SG ' ' A' ' 87' ' ' CYS . 1.1 mt -92.24 114.36 29.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.595 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.466 ' O ' HG12 ' A' ' 95' ' ' ILE . 21.3 t70 -71.79 143.41 49.54 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 -178.071 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.0 mp -54.16 -35.41 62.24 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.644 0.59 . . . . 0.0 111.781 -176.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -66.22 -39.26 89.46 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.382 0.61 . . . . 0.0 110.295 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.6 m -73.82 -27.42 61.1 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.81 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.466 HG12 ' O ' ' A' ' 91' ' ' ASP . 42.2 mm -57.57 -46.67 86.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 172.459 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.0 t -67.53 -43.15 81.47 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.293 -178.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -60.86 -53.47 56.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.345 -178.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 54.9 tp -64.4 -50.58 67.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 -175.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -63.42 -48.64 76.93 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.708 -176.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 100' ' ' ARG . 48.4 mtt-85 -69.72 -28.14 65.56 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -174.097 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 55.1 tp -67.0 -41.03 87.41 Favored 'General case' 0 C--O 1.22 -0.479 0 C-N-CA 120.155 -0.618 . . . . 0.0 109.775 174.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.706 HG21 HD11 ' A' ' 112' ' ' LEU . 93.3 t -70.21 -41.24 78.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.782 0.325 . . . . 0.0 110.705 178.457 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -67.29 -58.01 5.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.48 -178.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.86 -23.68 66.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.951 0.405 . . . . 0.0 112.026 -174.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -101.54 4.29 40.91 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.061 0.458 . . . . 0.0 110.279 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 54.8 42.99 30.74 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.659 177.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -82.85 -1.64 90.62 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 121.162 -0.542 . . . . 0.0 113.032 -178.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.51 ' OD2' ' HB2' ' A' ' 110' ' ' GLU . 14.3 t70 73.82 129.07 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.472 0.709 . . . . 0.0 111.555 177.021 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -74.69 -25.43 59.15 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -174.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.51 ' HB2' ' OD2' ' A' ' 108' ' ' ASP . 0.6 OUTLIER -63.48 -24.19 67.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.758 0.313 . . . . 0.0 111.589 -173.722 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.494 ' HB3' HH11 ' A' ' 114' ' ' ARG . 72.6 mt -76.01 -21.98 56.3 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.027 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.706 HD11 HG21 ' A' ' 102' ' ' VAL . 94.2 mt -80.7 -13.92 58.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.083 0.468 . . . . 0.0 110.352 178.38 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -120.87 31.9 6.21 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.803 -173.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.606 HH21 ' HA ' ' A' ' 119' ' ' LEU . 64.9 mtm-85 -75.4 -88.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 175.308 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.719 ' O ' HD13 ' A' ' 119' ' ' LEU . 0.8 OUTLIER 175.93 158.3 0.25 Allowed 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 106.494 -1.669 . . . . 0.0 106.494 173.271 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 63.9 tp -63.46 -35.56 80.85 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 118.872 0.76 . . . . 0.0 109.823 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -79.88 -3.11 46.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.089 0.471 . . . . 0.0 110.888 175.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 49.3 mt -107.6 7.09 28.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.601 0.715 . . . . 0.0 110.057 175.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.719 HD13 ' O ' ' A' ' 115' ' ' GLU . 4.9 mp -101.11 91.18 4.42 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 172.532 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.874 HG22 ' H ' ' A' ' 121' ' ' SER . 7.4 p -108.33 -171.68 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.781 -170.353 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.874 ' H ' HG22 ' A' ' 120' ' ' VAL . 47.3 m -72.16 172.08 10.83 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 122.777 0.431 . . . . 0.0 111.23 -176.608 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.374 179.727 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.8 pt . . . . . 0 N--CA 1.451 -0.421 0 CA-C-O 121.787 0.803 . . . . 0.0 110.463 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.38 100.24 6.92 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.35 -0.841 . . . . 0.0 108.863 176.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -87.33 152.31 22.38 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.84 -171.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -78.0 64.96 3.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.697 0.76 . . . . 0.0 109.863 173.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.21 155.1 33.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.831 -174.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.506 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 6.9 m-20 -83.3 128.58 34.62 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 177.516 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 p -120.87 111.92 18.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.948 0.404 . . . . 0.0 111.306 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.666 ' HG2' ' HG2' ' A' ' 30' ' ' GLU . 37.5 mt-10 -114.94 135.77 53.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.374 177.555 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.533 HD11 HG21 ' A' ' 43' ' ' VAL . 90.2 mt -103.07 112.95 38.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.222 0.534 . . . . 0.0 109.951 175.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.457 HD11 ' HB2' ' A' ' 60' ' ' ARG . 3.1 mt -95.83 146.01 24.9 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.942 -176.694 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -143.87 84.26 1.78 Allowed 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 172.572 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.98 -96.29 0.16 Allowed Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.306 -0.861 . . . . 0.0 113.008 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -81.76 -24.63 35.92 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.386 -0.407 . . . . 0.0 111.552 -174.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -119.34 164.2 16.05 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.655 -169.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.462 ' O ' ' HD2' ' A' ' 28' ' ' ARG . 0.3 OUTLIER -147.85 133.09 18.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.292 175.777 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 27.8 m-90 -116.72 119.19 34.68 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.232 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.666 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 41.7 mt-10 -73.43 122.56 22.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.312 0.577 . . . . 0.0 110.499 176.229 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.635 HG23 ' HG3' ' A' ' 45' ' ' GLN . 11.2 p -120.78 162.86 19.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.415 -173.422 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.415 ' N ' HG22 ' A' ' 31' ' ' VAL . 7.5 mp -88.5 122.85 32.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.341 175.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.9 tp -70.78 146.47 49.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.04 175.227 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -135.59 -57.69 0.78 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.42 177.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.55 ' OD2' ' HG ' ' A' ' 119' ' ' LEU . 6.5 t70 -149.71 143.03 25.19 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 176.655 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.428 HG23 ' HB ' ' A' ' 41' ' ' ILE . 9.8 p -148.14 150.44 14.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 110.523 -0.177 . . . . 0.0 110.523 -173.569 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.437 ' OG ' ' HA ' ' A' ' 112' ' ' LEU . 10.3 t -166.99 -164.02 0.59 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.033 0.444 . . . . 0.0 111.064 -179.191 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 59.5 mt -88.2 8.85 25.14 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.72 -174.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -109.21 -12.69 14.76 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 121.703 0.763 . . . . 0.0 109.11 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.455 ' HA3' ' O ' ' A' ' 85' ' ' PHE . . . 142.13 -143.36 12.77 Favored Glycine 0 N--CA 1.44 -1.049 0 CA-C-N 114.593 -1.185 . . . . 0.0 111.111 -174.15 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.428 ' HB ' HG23 ' A' ' 36' ' ' VAL . 13.4 tt -165.33 144.27 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.703 0.252 . . . . 0.0 110.874 -174.13 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.4 tp -116.85 115.24 25.16 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.143 0.496 . . . . 0.0 109.786 174.336 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.533 HG21 HD11 ' A' ' 22' ' ' ILE . 14.2 m -119.19 176.96 2.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.572 -178.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -136.65 121.58 2.42 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.257 -0.973 . . . . 0.0 113.084 -178.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.635 ' HG3' HG23 ' A' ' 31' ' ' VAL . 36.1 mt-30 -117.68 167.69 10.65 Favored Pre-proline 0 C--N 1.324 -0.515 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 172.422 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.516 ' O ' ' HG3' ' A' ' 47' ' ' GLN . 39.1 Cg_exo -60.01 -64.09 0.11 Allowed 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 121.819 1.68 . . . . 0.0 110.604 169.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.516 ' HG3' ' O ' ' A' ' 46' ' ' PRO . 39.8 mt-30 -171.5 -170.92 0.86 Allowed 'General case' 0 C--O 1.233 0.236 0 O-C-N 124.084 0.865 . . . . 0.0 109.252 177.362 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 47' ' ' GLN . 1.1 m-20 77.31 152.72 0.13 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.647 0.981 . . . . 0.0 113.647 171.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.581 ' CZ2' HD13 ' A' ' 83' ' ' LEU . 9.0 m95 -153.2 -172.04 4.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.044 -1.434 . . . . 0.0 109.328 176.659 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 120.742 0.306 . . . . 0.0 110.606 176.888 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 . . . . . 0 C--O 1.232 0.151 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -92.97 112.45 56.07 Favored Pre-proline 0 N--CA 1.446 -0.673 0 CA-C-N 114.449 -1.251 . . . . 0.0 110.15 177.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -56.43 139.69 87.51 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 123.238 2.625 . . . . 0.0 112.233 177.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -111.8 158.06 19.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.447 -178.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -134.39 130.12 36.39 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.479 ' HB2' HD13 ' A' ' 73' ' ' ILE . . . -97.3 122.77 40.71 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.315 -179.527 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.457 ' HB2' HD11 ' A' ' 23' ' ' LEU . 50.8 ttp180 -114.53 105.17 12.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.669 179.052 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.892 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 70.7 mt -103.97 128.07 51.52 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.776 -175.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.506 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 62.9 m-85 -99.0 113.07 25.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.648 179.316 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -113.43 2.62 15.49 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.169 0.509 . . . . 0.0 109.801 174.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.85 -175.72 47.73 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.052 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.1 mp -68.04 -42.03 81.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.072 0.463 . . . . 0.0 110.04 177.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -100.78 -33.85 10.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.939 176.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.9 t -67.37 96.46 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.149 0.5 . . . . 0.0 110.817 -175.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.442 HD11 ' CG ' ' A' ' 60' ' ' ARG . 32.7 tp -121.78 122.31 39.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.285 -176.676 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.892 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 62.6 mt -99.84 106.67 19.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.07 178.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.2 ptp85 -107.39 127.69 53.81 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.263 178.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.433 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 23.2 ptm -142.74 122.66 13.55 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.093 0.473 . . . . 0.0 110.657 177.77 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -71.11 126.26 29.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.297 177.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.66 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 14.5 pt -132.27 151.65 35.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.48 0.657 . . . . 0.0 111.962 -173.186 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.59 ' HB3' ' NE2' ' A' ' 88' ' ' GLN . 10.8 p -112.16 138.15 49.23 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.65 174.612 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 43.8 tp -74.74 103.17 4.91 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.137 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.18 -44.79 12.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.349 -175.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 63.3 p-90 -151.46 146.94 26.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.967 0.413 . . . . 0.0 110.961 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -131.27 99.15 4.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.646 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.648 ' HB3' ' HB2' ' A' ' 82' ' ' LEU . 16.9 tpt180 -84.03 67.63 9.74 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.106 176.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.7 t70 63.17 -85.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.405 -176.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -98.16 -22.35 15.38 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.39 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.648 ' HB2' ' HB3' ' A' ' 79' ' ' ARG . 81.4 mt -84.59 113.49 21.29 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -179.33 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.581 HD13 ' CZ2' ' A' ' 49' ' ' TRP . 34.0 mt -108.78 110.51 21.91 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -172.348 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -99.28 117.11 5.77 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.054 -0.594 . . . . 0.0 112.026 -178.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.66 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 97.5 m-85 -109.14 146.81 33.48 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.933 0.397 . . . . 0.0 111.022 -178.371 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -104.13 149.13 25.51 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.151 175.298 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 8.3 p -78.48 119.79 22.28 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.97 0.415 . . . . 0.0 111.777 -176.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.59 ' NE2' ' HB3' ' A' ' 74' ' ' SER . 94.4 mt-30 -96.3 -35.85 11.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.652 175.712 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -167.42 100.53 0.5 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.893 0.378 . . . . 0.0 111.025 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 37.9 mt -89.9 121.08 39.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 175.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.436 ' O ' HG13 ' A' ' 95' ' ' ILE . 18.7 t70 -66.75 150.45 49.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.808 0.337 . . . . 0.0 111.188 -175.542 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 72.3 mt -61.8 -39.05 90.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.61 -176.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -66.74 -40.92 88.52 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.569 ' HB3' HG23 ' A' ' 69' ' ' ILE . 15.3 m -59.11 -47.44 85.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.765 176.39 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 91' ' ' ASP . 73.5 mt -60.3 -43.65 94.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.448 178.563 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 44.5 m -59.15 -44.78 92.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.844 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -69.7 -38.03 76.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.93 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.5 tp -66.48 -41.98 88.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.656 0.265 . . . . 0.0 110.988 -179.017 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -60.26 -43.97 95.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.01 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.605 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -67.38 -39.74 85.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.573 177.52 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.5 tp -61.37 -46.3 90.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.273 -177.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.461 HG21 HD11 ' A' ' 112' ' ' LEU . 59.4 t -66.1 -36.72 78.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 177.081 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -59.62 -40.32 87.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.793 176.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 85.2 mt -73.46 -8.85 57.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.385 -178.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -106.89 -30.32 8.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.072 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 88.9 mt 62.72 19.7 11.58 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.576 0.547 . . . . 0.0 111.125 -178.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -87.62 53.77 4.35 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.577 -176.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 63.61 111.31 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.73 0.776 . . . . 0.0 112.546 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.444 ' H ' ' CD ' ' A' ' 109' ' ' GLU . 0.3 OUTLIER -73.93 -17.43 61.02 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 173.15 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.59 -28.11 69.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.324 177.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.499 HD22 HH11 ' A' ' 114' ' ' ARG . 43.6 mt -65.36 -20.71 66.51 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.07 0.462 . . . . 0.0 110.508 179.435 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.461 HD11 HG21 ' A' ' 102' ' ' VAL . 95.2 mt -75.27 -8.16 55.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.07 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -122.43 30.94 6.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.698 0.285 . . . . 0.0 111.448 -177.147 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.5 HH21 ' HG ' ' A' ' 119' ' ' LEU . 29.2 mtm180 -85.22 -159.07 0.41 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 173.692 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.47 ' O ' HD13 ' A' ' 119' ' ' LEU . 5.2 tm-20 -116.28 156.95 25.72 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 174.245 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 67.6 tp -54.99 -40.07 69.7 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 117.919 0.327 . . . . 0.0 111.797 -176.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.41 -16.27 63.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.722 0.296 . . . . 0.0 111.738 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 88.5 mt -87.27 -14.97 39.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.235 0.541 . . . . 0.0 110.296 176.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.55 ' HG ' ' OD2' ' A' ' 35' ' ' ASP . 9.8 mp -84.66 79.65 9.52 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 175.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 15.6 t -96.28 149.85 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.421 -173.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 74.4 m -79.3 172.09 14.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.18 177.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.234 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.216 178.445 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.67 ' O ' ' HA ' ' A' ' 35' ' ' ASP . 48.3 mm . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 121.845 0.831 . . . . 0.0 111.504 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -150.97 108.99 3.71 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.425 177.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -95.54 165.25 12.43 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -78.66 47.58 0.74 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.765 0.793 . . . . 0.0 110.271 176.067 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.444 ' HB1' ' O ' ' A' ' 62' ' ' TYR . . . -107.9 174.14 6.01 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.389 -177.336 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.52 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 5.2 m-20 -93.52 130.17 39.48 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 177.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 p -126.94 110.93 13.53 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.956 0.408 . . . . 0.0 111.0 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -112.03 142.13 44.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.476 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 74.9 mt -100.32 124.56 53.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 171.729 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.532 ' HB2' ' HB2' ' A' ' 58' ' ' GLU . 39.5 mt -112.33 163.51 14.32 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.021 0.439 . . . . 0.0 110.93 -174.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -146.77 72.78 1.29 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 170.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.02 -60.29 2.65 Favored Glycine 0 CA--C 1.522 0.48 0 CA-C-N 115.155 -0.929 . . . . 0.0 113.127 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -121.82 -45.39 2.28 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -172.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 mtm180 -86.41 149.83 24.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.802 0.335 . . . . 0.0 111.307 -172.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -126.2 130.29 50.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.195 -172.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 16.8 m-90 -127.1 106.83 9.53 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.521 0.2 . . . . 0.0 110.775 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -68.7 120.63 14.98 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.4 p -126.79 153.01 35.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.368 -0.378 . . . . 0.0 109.989 -177.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.505 HD13 ' HG3' ' A' ' 45' ' ' GLN . 9.3 mp -80.9 126.97 32.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.729 0.299 . . . . 0.0 110.681 178.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.0 tp -76.93 140.0 40.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.834 176.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -122.74 -36.54 2.88 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 177.059 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.67 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 12.7 t70 -163.89 160.98 22.74 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 172.062 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.1 p -157.09 124.91 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.136 0.493 . . . . 0.0 110.17 178.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 69.9 p -132.6 -173.11 3.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.111 0.481 . . . . 0.0 111.254 -175.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.63 HD12 HD12 ' A' ' 90' ' ' ILE . 52.7 tp -79.5 -3.86 48.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.518 0.675 . . . . 0.0 110.661 -177.587 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.414 ' ND1' ' HA ' ' A' ' 115' ' ' GLU . 2.6 m80 -102.7 -30.72 10.73 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 122.17 0.986 . . . . 0.0 109.221 -175.686 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.642 ' HA2' ' SG ' ' A' ' 87' ' ' CYS . . . 171.08 178.74 41.8 Favored Glycine 0 N--CA 1.436 -1.313 0 CA-C-N 113.755 -1.566 . . . . 0.0 111.449 -174.088 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.9 tt -123.22 138.81 51.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-O 120.96 0.41 . . . . 0.0 109.985 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.8 tp -114.05 100.72 8.6 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.295 0.569 . . . . 0.0 110.411 -177.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.5 m -105.71 -175.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 176.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -179.9 121.92 0.76 Allowed Glycine 0 N--CA 1.442 -0.949 0 C-N-CA 119.298 -1.43 . . . . 0.0 113.328 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.505 ' HG3' HD13 ' A' ' 32' ' ' LEU . 1.2 tm0? 177.64 -58.33 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.432 0 O-C-N 124.505 0.767 . . . . 0.0 109.98 176.484 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.459 ' HD3' ' CB ' ' A' ' 45' ' ' GLN . 2.1 Cg_endo -81.85 149.94 16.12 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 122.288 1.992 . . . . 0.0 112.214 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -116.1 -13.93 11.18 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.338 177.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.95 163.33 22.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.584 179.038 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -134.47 -179.06 5.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.005 0.431 . . . . 0.0 111.58 -176.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.2 t30 . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.402 -178.883 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 . . . . . 0 CA--C 1.527 0.086 0 CA-C-O 120.698 0.285 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -86.12 130.93 48.19 Favored Pre-proline 0 N--CA 1.449 -0.507 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -49.14 116.64 2.34 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.413 2.742 . . . . 0.0 112.675 177.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.415 ' CD1' ' HE2' ' A' ' 85' ' ' PHE . 27.6 m-85 -108.53 143.27 37.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.102 -179.389 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.532 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 35.6 mt-10 -116.32 150.68 37.28 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 178.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.459 ' HB3' ' CG ' ' A' ' 71' ' ' MET . . . -116.82 126.01 52.41 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 120.781 0.324 . . . . 0.0 110.293 176.031 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -120.09 105.3 10.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.564 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.766 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 77.8 mt -101.97 130.44 48.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.925 -174.668 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.52 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 42.6 m-85 -103.9 93.5 4.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.602 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.51 HD23 HD22 ' A' ' 101' ' ' LEU . 9.9 mp -93.07 -5.92 49.3 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.639 0.733 . . . . 0.0 109.585 177.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.77 175.88 44.45 Favored Glycine 0 N--CA 1.44 -1.046 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.628 177.339 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.3 mp -69.8 -30.19 67.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.075 0.464 . . . . 0.0 110.312 177.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -110.56 3.98 19.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.81 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.2 t -114.7 85.84 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.933 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 45.0 tp -107.89 129.83 55.06 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.121 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.766 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 56.9 mt -113.59 123.05 68.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.637 178.673 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.2 ptt85 -116.35 144.54 44.13 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 173.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.459 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 15.8 ptm -158.58 140.18 13.52 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.202 178.111 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.537 ' HB2' ' HB3' ' A' ' 89' ' ' HIS . 2.3 mp0 -93.01 123.29 36.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.299 -177.44 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 23.3 pt -128.88 171.61 16.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.046 -176.049 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.0 t -140.41 135.88 32.51 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 175.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 44.2 tp -71.57 112.74 7.93 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.093 0.473 . . . . 0.0 110.931 -176.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.14 -55.83 3.64 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.918 -177.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 64.3 p-90 -141.25 142.49 33.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.863 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -137.23 120.35 16.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.019 177.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.0 ttt180 -145.69 138.28 25.76 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.856 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 57.38 -102.98 0.16 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.733 0.646 . . . . 0.0 110.791 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.418 ' O ' HD23 ' A' ' 82' ' ' LEU . . . -133.92 34.51 2.38 Favored Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 175.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.418 HD23 ' O ' ' A' ' 81' ' ' GLY . 82.4 mt -131.99 125.94 32.76 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.0 mp -129.97 119.37 23.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.061 0.458 . . . . 0.0 110.854 -177.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -101.43 119.34 6.46 Favored Glycine 0 N--CA 1.444 -0.823 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.88 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.415 ' HE2' ' CD1' ' A' ' 57' ' ' PHE . 28.1 m-85 -105.15 140.68 37.95 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -85.14 141.44 30.19 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 173.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.642 ' SG ' ' HA2' ' A' ' 40' ' ' GLY . 34.6 m -86.66 107.5 18.22 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 120.921 0.391 . . . . 0.0 110.584 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -81.64 -50.27 9.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.636 -178.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.537 ' HB3' ' HB2' ' A' ' 72' ' ' GLU . 8.3 t60 -138.32 98.33 3.58 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.565 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.63 HD12 HD12 ' A' ' 38' ' ' LEU . 25.0 mt -93.96 106.68 18.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 169.045 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -70.58 160.83 31.79 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.987 -172.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.417 HD12 ' N ' ' A' ' 92' ' ' LEU . 6.6 mp -62.82 -36.2 82.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.273 -178.32 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -64.93 -37.73 88.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.83 177.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 35.7 t -63.51 -52.18 62.35 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.33 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 65.8 mt -58.45 -40.21 77.62 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.388 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.64 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 54.7 m -56.33 -53.41 57.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.239 -178.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -67.03 -46.31 74.81 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -176.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.9 -47.51 82.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.01 0.433 . . . . 0.0 110.872 -178.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.415 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 15.8 tpp180 -58.55 -44.53 89.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.007 -179.485 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.545 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 2.1 mmp_? -55.01 -50.89 67.9 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.271 0.357 . . . . 0.0 111.117 179.109 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.51 HD22 HD23 ' A' ' 63' ' ' LEU . 34.8 tp -64.6 -40.6 95.8 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.317 -178.692 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 37.5 t -53.71 -48.81 60.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.568 177.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 99' ' ' ARG . 40.2 mt-10 -64.94 -43.41 92.82 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.391 -178.488 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 75.3 mt -70.1 -35.32 74.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.48 -177.23 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -88.66 0.73 56.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.557 -179.191 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 26.0 tp 61.6 40.93 12.89 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.615 0.722 . . . . 0.0 110.376 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -73.52 103.22 1.39 Allowed Glycine 0 N--CA 1.44 -1.066 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 175.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -49.41 129.71 19.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.765 0.317 . . . . 0.0 110.49 175.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.1 -9.85 58.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.975 -175.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -50.63 -53.62 29.33 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.741 0.305 . . . . 0.0 110.576 -179.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 54.1 mt -58.8 -45.14 90.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.86 -178.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.56 -22.16 66.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.536 -176.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -121.01 26.26 9.15 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.505 -169.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.44 ' HB3' ' H ' ' A' ' 115' ' ' GLU . 17.8 ttm180 -93.3 -100.2 0.14 Allowed 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 174.447 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.482 ' HB2' HD12 ' A' ' 118' ' ' LEU . 0.4 OUTLIER -169.33 157.8 7.71 Favored 'General case' 0 C--O 1.223 -0.328 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 170.111 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.401 ' H ' ' CD ' ' A' ' 115' ' ' GLU . 63.4 tp -59.75 -47.4 85.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.993 0.425 . . . . 0.0 110.012 177.219 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.61 -12.54 61.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.295 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.482 HD12 ' HB2' ' A' ' 115' ' ' GLU . 76.4 mt -96.8 -6.16 36.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.104 0.478 . . . . 0.0 110.354 177.146 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.5 mp -104.18 158.64 16.3 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.517 -177.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.2 p -151.61 150.07 13.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 63.9 m -68.3 172.28 6.12 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.057 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.236 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -176.355 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.8 tp . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.415 ' HB2' ' HA ' ' A' ' 35' ' ' ASP . . . 70.9 -53.9 0.67 Allowed 'General case' 0 N--CA 1.472 0.665 0 O-C-N 123.491 0.495 . . . . 0.0 110.523 -172.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.6 p90 47.42 -169.67 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 171.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -94.27 101.11 13.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.371 178.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.08 139.19 44.53 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.64 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.557 ' HB3' ' HB2' ' A' ' 62' ' ' TYR . 7.3 t70 -84.58 113.38 21.21 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 174.511 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.3 t -114.45 137.6 51.64 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.32 0.581 . . . . 0.0 111.834 -171.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.458 ' HB2' ' HB2' ' A' ' 28' ' ' ARG . 8.1 pt-20 -136.23 130.47 33.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.896 172.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.48 ' O ' ' HE3' ' A' ' 29' ' ' TRP . 86.9 mt -98.9 116.34 41.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.892 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.531 ' HB2' ' HB2' ' A' ' 58' ' ' GLU . 3.9 mt -96.03 164.19 12.81 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.186 0.517 . . . . 0.0 110.933 -174.297 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -144.59 74.36 1.41 Allowed 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.171 -0.922 . . . . 0.0 108.619 166.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.71 -53.4 4.85 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.423 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -135.09 -54.42 0.8 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.673 0.273 . . . . 0.0 111.637 -175.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -78.91 155.5 29.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.047 -173.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.458 ' HB2' ' HB2' ' A' ' 21' ' ' GLU . 33.9 ptt180 -133.46 131.34 39.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.482 0.658 . . . . 0.0 111.848 -178.224 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.548 ' HZ2' ' HB3' ' A' ' 50' ' ' ASN . 28.0 m-90 -95.99 114.11 25.79 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.949 173.761 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -69.25 129.25 39.3 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 174.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.7 p -147.82 148.13 16.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.533 -175.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.3 mp -84.89 124.18 31.33 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.189 176.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.5 tp -72.43 141.15 48.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.147 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -124.79 -19.15 5.38 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.456 179.064 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.415 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . 7.6 t70 -175.48 158.84 2.33 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 172.568 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.3 p -160.4 141.39 3.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.876 0.369 . . . . 0.0 110.542 -177.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.9 p -158.7 -166.48 1.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.823 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.9 mt -101.54 20.16 16.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.341 0.591 . . . . 0.0 110.569 -177.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -141.89 15.97 2.12 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.765 177.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.81 162.41 9.88 Favored Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.349 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.471 ' CG2' ' HB2' ' A' ' 85' ' ' PHE . 7.7 tt -137.94 133.5 44.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.283 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.66 HD11 ' HB3' ' A' ' 82' ' ' LEU . 43.2 tp -112.99 122.33 47.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.151 0.501 . . . . 0.0 110.797 -175.537 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.4 m -126.7 166.37 23.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.777 178.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -115.46 93.73 0.63 Allowed Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 176.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.827 ' HB3' HD12 ' A' ' 83' ' ' LEU . 49.7 tt0 -115.79 113.05 42.46 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-O 121.007 0.432 . . . . 0.0 111.937 -170.744 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 45' ' ' GLN . 1.9 Cg_endo -83.71 -9.69 9.87 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 123.529 2.819 . . . . 0.0 111.534 171.763 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -73.12 138.34 45.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.114 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -79.45 148.01 32.07 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.551 -173.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.541 ' HA ' ' CE3' ' A' ' 49' ' ' TRP . 4.5 m95 -75.71 134.14 40.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.372 177.739 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.548 ' HB3' ' HZ2' ' A' ' 29' ' ' TRP . 28.2 p-10 . . . . . 0 N--CA 1.466 0.341 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.43 -171.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 . . . . . 0 N--CA 1.462 0.155 0 CA-C-O 120.996 0.427 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.8 mtp85 -79.18 147.05 68.49 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 175.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -65.52 131.95 29.55 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.644 2.229 . . . . 0.0 112.707 -176.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.412 ' HB2' HG13 ' A' ' 73' ' ' ILE . 70.4 m-85 -119.43 166.19 13.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.021 179.179 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.531 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 29.8 mt-10 -127.31 131.79 50.39 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.607 ' O ' ' HA ' ' A' ' 70' ' ' ARG . . . -98.85 108.41 21.09 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 121.135 -0.226 . . . . 0.0 110.476 179.403 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.504 ' HA ' ' O ' ' A' ' 69' ' ' ILE . 37.5 ttp180 -113.77 111.53 21.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.093 0.473 . . . . 0.0 110.2 177.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.655 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 81.8 mt -105.62 125.45 51.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.268 -176.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.557 ' HB2' ' HB3' ' A' ' 19' ' ' ASP . 58.4 m-85 -93.38 111.29 22.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.218 175.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.813 HD13 HD22 ' A' ' 101' ' ' LEU . 80.2 mt -107.81 -10.03 15.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.515 0.674 . . . . 0.0 110.094 177.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 177.2 -162.34 30.39 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.498 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.9 mp -90.78 -16.32 28.58 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 117.159 0.48 . . . . 0.0 110.46 177.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -108.01 -42.09 4.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.995 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.9 t -84.32 96.83 4.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.053 0.454 . . . . 0.0 111.1 -177.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.5 tp -116.99 120.62 38.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.598 176.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.655 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 62.7 mt -99.06 138.36 23.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.539 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.607 ' HA ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -143.17 143.83 31.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.682 -0.236 . . . . 0.0 110.422 175.239 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.461 ' HA ' ' NH2' ' A' ' 70' ' ' ARG . 25.9 ptt? -161.82 152.92 18.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.356 175.497 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.53 ' HB2' ' HB3' ' A' ' 89' ' ' HIS . 57.5 mp0 -86.04 129.43 34.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.894 0.378 . . . . 0.0 110.442 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.523 HG22 ' HA ' ' A' ' 87' ' ' CYS . 19.0 pt -133.07 163.58 37.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -177.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.3 t -139.45 136.63 34.84 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 175.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.433 HD11 ' HB2' ' A' ' 78' ' ' ALA . 1.5 tm? -76.72 112.49 13.35 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -177.609 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -123.18 -4.72 8.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.409 0.623 . . . . 0.0 110.223 176.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.542 ' CZ3' ' HB2' ' A' ' 79' ' ' ARG . 9.8 t90 -132.28 134.34 45.16 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-O 122.116 0.96 . . . . 0.0 109.483 -177.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.433 ' HB2' HD11 ' A' ' 75' ' ' LEU . . . -155.04 99.38 2.1 Favored 'General case' 0 C--N 1.284 -2.274 0 CA-C-N 113.715 -1.584 . . . . 0.0 110.632 -175.093 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.542 ' HB2' ' CZ3' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -103.42 76.18 1.4 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.672 178.268 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 36.9 t70 63.07 -88.52 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.349 -177.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -108.23 -12.12 22.46 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.386 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.66 ' HB3' HD11 ' A' ' 42' ' ' LEU . 96.2 mt -88.08 112.91 23.19 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 176.279 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.827 HD12 ' HB3' ' A' ' 45' ' ' GLN . 95.1 mt -102.59 122.39 44.29 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.782 -175.249 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -109.71 107.79 2.41 Favored Glycine 0 N--CA 1.444 -0.825 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.764 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.516 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 57.8 m-85 -93.16 128.52 39.14 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.31 138.27 33.62 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 173.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.523 ' HA ' HG22 ' A' ' 73' ' ' ILE . 3.7 p -84.82 114.25 21.95 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.017 -175.151 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -82.74 -55.24 4.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.462 -178.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.53 ' HB3' ' HB2' ' A' ' 72' ' ' GLU . 28.6 t60 -126.49 112.26 15.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.364 -176.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.423 HD11 ' HB2' ' A' ' 87' ' ' CYS . 1.9 mp -118.18 115.79 49.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.996 176.729 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.401 ' O ' HG13 ' A' ' 95' ' ' ILE . 5.3 p-10 -83.04 159.9 22.07 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.807 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 40.8 tp -62.93 -29.96 71.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.155 -177.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.68 -47.93 70.88 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.2 t -56.13 -49.34 74.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.226 175.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 91' ' ' ASP . 77.1 mt -57.65 -48.6 82.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.439 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.3 p -64.2 -37.93 89.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.69 -175.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -69.72 -43.78 71.68 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.54 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -66.14 -53.93 31.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.225 -177.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -57.85 -46.41 84.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.55 -178.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.596 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 30.5 ttt180 -65.84 -36.19 82.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.131 -173.619 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.813 HD22 HD13 ' A' ' 63' ' ' LEU . 25.4 tp -64.7 -40.83 96.03 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.503 179.103 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 56.2 t -60.74 -39.26 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.265 177.065 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -68.53 -35.14 77.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.769 177.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 93.5 mt -72.25 -20.78 61.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.299 -178.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -118.04 8.81 12.56 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -175.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 31.0 tp 57.35 46.53 18.21 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.472 0.653 . . . . 0.0 110.779 178.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.427 ' O ' HD12 ' A' ' 111' ' ' LEU . . . -80.2 -4.38 89.81 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.602 -0.727 . . . . 0.0 113.032 -177.689 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.7 t70 74.87 126.6 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.239 0.616 . . . . 0.0 111.508 178.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -78.13 -15.62 58.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.455 -174.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -80.06 -30.32 39.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.689 0.28 . . . . 0.0 110.623 -177.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 107' ' ' GLY . 75.1 mt -62.89 -26.27 68.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.266 0.555 . . . . 0.0 110.34 176.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.428 ' O ' HD23 ' A' ' 112' ' ' LEU . 9.9 tt -75.15 -18.75 60.14 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.178 177.698 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -109.95 26.8 10.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.653 -171.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -78.14 -157.51 0.11 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 167.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.541 ' O ' HD13 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -128.13 158.88 36.8 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 172.701 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.468 HD21 ' HB2' ' A' ' 77' ' ' TRP . 29.9 tp -50.39 -45.39 55.45 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.088 0.243 . . . . 0.0 111.356 178.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.48 -7.27 36.57 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 178.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.424 ' HB2' ' H ' ' A' ' 115' ' ' GLU . 49.4 mt -107.8 -8.51 16.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.641 0.258 . . . . 0.0 110.628 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.541 HD13 ' O ' ' A' ' 115' ' ' GLU . 2.5 mp -79.75 97.13 6.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.495 0.664 . . . . 0.0 111.401 -173.478 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 20.7 t -90.89 154.91 3.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.842 174.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.0 p -62.93 171.67 2.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.738 0.304 . . . . 0.0 111.63 -178.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.386 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.132 -179.67 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.61 ' O ' ' HA ' ' A' ' 35' ' ' ASP . 50.2 mm . . . . . 0 CA--C 1.527 0.061 0 CA-C-O 121.661 0.743 . . . . 0.0 112.193 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.67 123.25 11.78 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.52 175.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -120.01 -173.24 2.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.942 -177.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -83.17 13.79 3.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.077 0.465 . . . . 0.0 110.22 174.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.582 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -75.96 119.42 19.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.953 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -86.27 137.88 32.28 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 171.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.523 ' HA ' ' O ' ' A' ' 60' ' ' ARG . 22.8 t -116.08 131.61 56.89 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.861 -172.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.574 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 51.5 mt-10 -107.87 126.51 52.75 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.744 176.729 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.541 HG21 ' HH2' ' A' ' 49' ' ' TRP . 70.8 mt -99.8 107.52 20.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 170.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.695 ' HG ' ' HB2' ' A' ' 58' ' ' GLU . 0.3 OUTLIER -117.46 163.49 16.3 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.169 -178.946 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -142.42 70.84 1.33 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.999 178.167 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.96 -68.6 2.25 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.292 -0.867 . . . . 0.0 113.282 -179.133 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.475 ' HG2' ' HG3' ' A' ' 27' ' ' ARG . 38.1 tt0 -89.21 -64.03 1.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -174.034 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.475 ' HG3' ' HG2' ' A' ' 26' ' ' GLU . 46.2 mtt85 -106.79 157.36 17.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.982 0.42 . . . . 0.0 111.796 -170.317 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.593 ' HG2' ' HB3' ' A' ' 23' ' ' LEU . 35.6 mtt-85 -129.45 132.55 46.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.21 -173.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 26.2 m-90 -130.93 117.71 19.63 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.574 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 0.5 OUTLIER -77.33 152.55 34.45 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.338 0.589 . . . . 0.0 110.798 -177.757 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.5 p -135.5 157.67 39.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.699 -172.215 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.4 mt -80.93 120.99 25.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.889 178.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.6 tp -73.75 134.24 43.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.775 175.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -120.75 -37.16 3.04 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.499 178.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.61 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 6.4 t70 -168.91 162.21 11.14 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 173.191 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.454 HG23 ' HB ' ' A' ' 41' ' ' ILE . 8.1 p -161.85 142.44 3.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.082 0.468 . . . . 0.0 110.743 -178.501 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.427 ' HB2' ' O ' ' A' ' 112' ' ' LEU . 69.9 p -134.33 -174.33 3.53 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.256 179.305 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.408 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 50.2 tp -79.06 -1.98 38.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.72 0.771 . . . . 0.0 109.979 176.661 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.58 ' ND1' ' HA ' ' A' ' 115' ' ' GLU . 5.4 m170 -105.5 -45.26 4.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.749 -175.099 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.484 ' HA3' HD13 ' A' ' 116' ' ' LEU . . . -164.82 168.63 39.15 Favored Glycine 0 N--CA 1.444 -0.832 0 CA-C-N 114.495 -1.23 . . . . 0.0 112.289 -178.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.454 ' HB ' HG23 ' A' ' 36' ' ' VAL . 13.4 tt -121.75 138.47 51.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.755 0.312 . . . . 0.0 110.465 -178.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.552 HD11 ' HB3' ' A' ' 82' ' ' LEU . 65.7 tp -112.84 111.22 21.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.178 0.514 . . . . 0.0 110.145 179.02 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.2 m -116.21 171.21 5.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.755 -179.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.466 ' HA2' ' O ' ' A' ' 81' ' ' GLY . . . -131.07 118.51 2.43 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.461 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -108.05 154.07 41.39 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 178.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -60.6 -64.67 0.09 OUTLIER 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.698 2.265 . . . . 0.0 112.262 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -164.79 -46.07 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -67.74 146.21 53.98 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -172.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.76 ' HE3' ' HA ' ' A' ' 49' ' ' TRP . 0.0 OUTLIER -151.68 -170.42 3.65 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.186 -178.365 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 . . . . . 0 CA--C 1.529 0.162 0 C-N-CA 121.183 -0.207 . . . . 0.0 111.087 -177.023 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 . . . . . 0 C--O 1.233 0.186 0 CA-C-O 121.368 0.604 . . . . 0.0 109.628 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 66.3 mtt85 -83.48 124.84 75.18 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.443 176.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.28 158.23 58.45 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 123.129 2.553 . . . . 0.0 112.788 -176.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.448 ' CD1' ' HE1' ' A' ' 85' ' ' PHE . 71.5 m-85 -133.0 160.99 35.54 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -175.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.695 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 34.0 mt-10 -116.16 130.92 57.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.952 179.083 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.444 ' HB2' HD13 ' A' ' 73' ' ' ILE . . . -119.22 127.94 53.74 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.856 0.36 . . . . 0.0 110.762 178.658 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.664 ' HG3' HD21 ' A' ' 23' ' ' LEU . 35.6 mtm180 -118.12 136.7 53.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.807 175.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.876 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 95.1 mt -116.38 120.08 37.7 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.961 -177.527 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.582 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 68.6 m-85 -86.75 90.91 8.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.394 175.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.603 ' HG ' HD22 ' A' ' 101' ' ' LEU . 10.9 mp -85.25 -29.56 24.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.398 0.618 . . . . 0.0 109.766 179.039 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -162.04 -172.02 28.9 Favored Glycine 0 N--CA 1.442 -0.955 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -73.86 -39.05 64.26 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.204 0.526 . . . . 0.0 109.613 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -97.75 -8.88 27.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.831 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.9 t -106.49 88.77 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.126 0.489 . . . . 0.0 110.904 -176.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 62.3 tp -104.45 111.57 24.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.57 175.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.876 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 49.1 mm -90.5 135.96 25.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.64 -177.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -119.84 144.72 47.21 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.3 ptm -155.23 127.94 8.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.484 0.659 . . . . 0.0 111.272 178.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.51 ' HB3' ' HB3' ' A' ' 89' ' ' HIS . 9.6 tp10 -78.27 123.11 26.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.378 176.181 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.786 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 28.0 pt -130.23 141.75 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.45 0.643 . . . . 0.0 112.454 -175.173 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.2 t -114.94 124.27 51.26 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 173.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 28.9 tp -66.13 106.72 1.71 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.061 0.458 . . . . 0.0 110.576 -176.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.59 -44.73 12.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.151 -175.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 60.4 p-90 -150.45 138.95 20.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.996 0.427 . . . . 0.0 111.028 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -134.12 113.15 11.75 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.906 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 79' ' ' ARG . 20.2 ttt180 -136.31 133.2 36.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.052 -178.136 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.5 t70 66.77 -80.12 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.375 0 O-C-N 124.11 0.881 . . . . 0.0 110.626 178.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.466 ' O ' ' HA2' ' A' ' 44' ' ' GLY . . . -152.63 -1.26 0.21 Allowed Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 175.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.552 ' HB3' HD11 ' A' ' 42' ' ' LEU . 97.5 mt -98.39 123.33 42.46 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.2 mp -117.65 120.55 38.35 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.39 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -97.54 108.9 3.72 Favored Glycine 0 N--CA 1.441 -0.995 0 N-CA-C 111.291 -0.723 . . . . 0.0 111.291 177.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.786 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 92.5 m-85 -96.35 125.02 40.56 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.804 0.335 . . . . 0.0 110.439 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -82.88 120.75 26.07 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 176.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.723 ' SG ' HG13 ' A' ' 90' ' ' ILE . 8.9 t -78.23 125.73 29.78 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.243 0.544 . . . . 0.0 110.381 -173.753 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.491 ' HB2' ' HG3' ' A' ' 72' ' ' GLU . 37.4 mt-30 -90.14 -34.67 15.78 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.714 -176.532 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.51 ' HB3' ' HB3' ' A' ' 72' ' ' GLU . 74.7 t60 -143.64 110.91 5.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.699 -177.457 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.723 HG13 ' SG ' ' A' ' 87' ' ' CYS . 0.7 OUTLIER -110.64 107.75 23.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 174.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.502 ' O ' HG13 ' A' ' 95' ' ' ILE . 12.6 m-20 -60.79 143.5 54.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.64 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.4 mp -60.16 -40.02 88.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.07 0.462 . . . . 0.0 110.376 -178.273 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -64.25 -41.13 97.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.205 177.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.46 ' OG ' HG23 ' A' ' 69' ' ' ILE . 47.4 t -58.07 -49.04 78.28 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.416 175.553 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 91' ' ' ASP . 59.8 mt -58.97 -44.96 92.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.614 178.295 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.521 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 4.9 t -60.19 -50.31 74.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.846 -177.442 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.51 ' HB2' HD11 ' A' ' 69' ' ' ILE . 79.3 m-70 -64.73 -35.24 80.41 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.553 0.216 . . . . 0.0 110.914 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.418 ' O ' HG23 ' A' ' 102' ' ' VAL . 55.5 tp -61.47 -48.7 79.91 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 178.044 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 35.4 ttt85 -63.94 -29.28 70.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.704 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.557 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 35.3 mmt180 -58.03 -51.71 68.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.664 0.269 . . . . 0.0 110.371 175.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.603 HD22 ' HG ' ' A' ' 63' ' ' LEU . 48.1 tp -64.69 -42.4 95.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.703 -179.658 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.841 HG21 HD11 ' A' ' 112' ' ' LEU . 96.2 t -60.49 -36.38 69.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.039 0.447 . . . . 0.0 110.642 178.632 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -70.32 -49.59 47.9 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.925 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 72.7 mt -67.29 -34.13 76.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.082 -178.37 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.43 -7.95 51.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.654 -176.243 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 86.5 mt 60.84 39.57 16.84 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.819 -179.23 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -84.94 7.76 73.2 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.68 -0.691 . . . . 0.0 114.244 -172.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.4 t70 70.23 119.14 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.466 0.65 . . . . 0.0 111.855 177.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -78.3 -21.17 50.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.592 -177.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -65.77 -38.42 88.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.36 . . . . 0.0 110.973 -177.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.46 ' HB2' HD11 ' A' ' 14' ' ' ILE . 96.9 mt -57.02 -30.93 64.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.226 177.42 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.841 HD11 HG21 ' A' ' 102' ' ' VAL . 75.4 mt -74.79 -16.09 60.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.43 -177.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -113.84 26.11 10.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.71 0.29 . . . . 0.0 111.259 -172.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -77.8 -99.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 174.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.58 ' HA ' ' ND1' ' A' ' 39' ' ' HIS . 0.2 OUTLIER -178.84 162.31 1.3 Allowed 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 176.226 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.484 HD13 ' HA3' ' A' ' 40' ' ' GLY . 52.1 tp -62.72 -42.4 99.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.101 0.477 . . . . 0.0 109.858 177.678 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.32 -6.42 49.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.464 175.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.448 HD12 ' HB2' ' A' ' 115' ' ' GLU . 82.5 mt -108.58 4.19 23.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.952 0.406 . . . . 0.0 110.449 177.583 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.538 HD13 ' O ' ' A' ' 115' ' ' GLU . 1.9 mp -100.09 102.86 14.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.243 0.544 . . . . 0.0 111.051 -177.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 20.7 t -97.92 154.93 3.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 174.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.5 p -61.6 171.93 1.38 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.634 -178.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.216 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.62 -179.019 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.4 HD12 HD21 ' A' ' 112' ' ' LEU . 48.3 mm . . . . . 0 N--CA 1.447 -0.6 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 165.99 98.38 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.793 1.237 . . . . 0.0 107.784 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -85.11 -13.62 49.68 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -166.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 t70 62.02 17.54 9.13 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 122.272 1.034 . . . . 0.0 109.714 -176.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.14 155.96 36.45 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.808 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.548 ' HB3' ' HB2' ' A' ' 62' ' ' TYR . 13.2 t70 -69.94 118.28 12.58 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 177.711 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 t -117.02 125.17 50.95 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.122 0.487 . . . . 0.0 110.894 -176.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -120.26 125.17 47.44 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 172.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.539 HG13 HG11 ' A' ' 31' ' ' VAL . 62.5 mt -102.5 130.77 51.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 171.641 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -138.12 170.94 15.16 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 120.982 0.42 . . . . 0.0 110.866 -177.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.422 ' NE2' ' HB2' ' A' ' 55' ' ' ARG . 30.7 tt0 -127.09 37.93 4.18 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 175.167 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.4 -55.69 4.85 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 114.739 -1.119 . . . . 0.0 113.087 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -83.33 -37.86 22.83 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -173.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -133.57 142.79 48.31 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 -178.201 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -119.15 147.03 44.64 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 123.517 0.511 . . . . 0.0 110.833 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.588 ' HH2' ' HB2' ' A' ' 50' ' ' ASN . 14.5 m-90 -128.61 131.26 48.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.25 178.364 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -69.88 108.18 3.87 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 172.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.574 HG23 ' HB2' ' A' ' 45' ' ' GLN . 11.0 p -105.33 152.36 7.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.859 -178.154 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 mp -92.31 114.47 27.02 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.797 0.332 . . . . 0.0 110.497 178.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.6 tp -68.1 147.99 51.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.175 177.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.443 ' HB2' ' O ' ' A' ' 42' ' ' LEU . 87.4 m-70 -139.27 -89.56 0.2 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.243 178.201 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -126.83 140.5 52.31 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -174.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.533 HG23 ' HB ' ' A' ' 41' ' ' ILE . 14.1 p -141.54 159.81 21.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 116.835 -0.166 . . . . 0.0 111.234 -171.412 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 89.2 p -159.94 -173.78 4.25 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.583 0.23 . . . . 0.0 110.64 177.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.4 mt -93.55 14.75 17.87 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.332 0.587 . . . . 0.0 110.323 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -139.83 18.91 2.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.49 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.614 ' HA3' HD13 ' A' ' 116' ' ' LEU . . . 144.72 163.84 10.25 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.328 -0.939 . . . . 0.0 112.532 177.562 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.533 ' HB ' HG23 ' A' ' 36' ' ' VAL . 9.4 tt -140.37 136.07 36.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -179.23 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.525 HD11 ' HB3' ' A' ' 82' ' ' LEU . 49.9 tp -115.0 113.37 24.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.035 0.445 . . . . 0.0 110.259 -178.529 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.0 m -127.58 175.93 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.03 -179.248 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 81' ' ' GLY . . . -124.95 125.35 5.66 Favored Glycine 0 N--CA 1.449 -0.433 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.705 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.604 ' HG2' ' H ' ' A' ' 47' ' ' GLN . 24.7 tt0 -140.06 118.74 8.61 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-O 120.57 0.224 . . . . 0.0 110.769 -177.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -86.49 6.61 5.33 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.896 2.397 . . . . 0.0 112.592 177.078 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.604 ' H ' ' HG2' ' A' ' 45' ' ' GLN . 49.0 mt-30 -104.03 170.39 7.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.558 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -97.98 -161.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.082 -177.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -114.53 172.15 7.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.987 0.422 . . . . 0.0 111.751 -178.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.588 ' HB2' ' HH2' ' A' ' 29' ' ' TRP . 10.4 t30 . . . . . 0 N--CA 1.463 0.202 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.575 -173.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 . . . . . 0 C--O 1.233 0.212 0 CA-C-O 121.212 0.529 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.422 ' HB2' ' NE2' ' A' ' 24' ' ' GLN . 65.6 mtp180 -91.03 147.59 36.09 Favored Pre-proline 0 N--CA 1.444 -0.741 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.829 177.666 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -51.72 146.69 26.65 Favored 'Trans proline' 0 C--O 1.239 0.537 0 C-N-CA 123.1 2.533 . . . . 0.0 112.844 177.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -117.88 138.24 52.25 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 173.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.508 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 2.9 mp0 -103.95 125.64 50.49 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.614 -177.528 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -105.73 113.99 27.89 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.7 177.075 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.496 ' CG ' HD11 ' A' ' 68' ' ' LEU . 40.8 ttm180 -116.06 119.09 34.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.552 -178.156 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 67.6 mt -107.73 119.1 38.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.547 -178.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.548 ' HB2' ' HB3' ' A' ' 19' ' ' ASP . 35.5 m-85 -94.08 117.39 30.04 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.511 178.154 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.558 HD11 HD22 ' A' ' 101' ' ' LEU . 71.0 mt -101.11 -19.85 15.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.698 0.761 . . . . 0.0 109.043 170.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -166.95 -158.97 11.81 Favored Glycine 0 N--CA 1.443 -0.884 0 N-CA-C 109.996 -1.241 . . . . 0.0 109.996 178.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.425 ' O ' HD23 ' A' ' 65' ' ' LEU . 4.1 tt -81.41 -35.41 30.74 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 117.638 0.719 . . . . 0.0 109.206 177.232 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -96.71 -45.61 6.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.26 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 32.5 t -70.9 98.12 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-O 121.248 0.547 . . . . 0.0 109.993 -177.015 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.496 HD11 ' CG ' ' A' ' 60' ' ' ARG . 33.9 tp -130.19 113.11 14.06 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.573 -174.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.476 HD12 ' N ' ' A' ' 69' ' ' ILE . 3.5 mp -94.27 107.94 20.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 177.648 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.788 ' HD3' ' H ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -115.16 127.94 55.87 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.786 -179.688 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.1 ptm -136.94 154.27 50.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.597 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.579 ' HB3' ' HB3' ' A' ' 89' ' ' HIS . 34.7 tt0 -111.66 119.62 39.29 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -176.634 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.546 HG22 ' HA ' ' A' ' 87' ' ' CYS . 15.7 pt -123.22 161.46 24.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.4 -171.347 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 p -122.52 126.18 47.28 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.144 175.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 57.6 tp -63.44 122.07 15.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.968 0.413 . . . . 0.0 111.246 -177.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.482 ' HB2' ' HG2' ' A' ' 86' ' ' GLU . . . -95.33 -55.04 3.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 -178.24 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 66.1 p-90 -145.86 144.65 30.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.126 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -129.82 119.78 23.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.274 178.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.1 mmt85 -125.46 103.04 7.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.332 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 65.86 -84.09 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.404 175.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.416 ' O ' ' HA2' ' A' ' 44' ' ' GLY . . . -128.24 -5.34 5.18 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 121.161 -0.543 . . . . 0.0 112.334 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.525 ' HB3' HD11 ' A' ' 42' ' ' LEU . 98.8 mt -105.26 121.12 43.2 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.2 mp -119.07 128.94 54.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.659 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.96 119.13 5.81 Favored Glycine 0 N--CA 1.443 -0.891 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.428 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -106.82 138.41 43.05 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.482 ' HG2' ' HB2' ' A' ' 76' ' ' ALA . 6.0 mm-40 -82.73 127.73 33.7 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 173.081 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.777 ' HB2' HD11 ' A' ' 90' ' ' ILE . 6.8 p -71.77 102.57 2.87 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.222 178.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -86.23 -57.83 2.87 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.131 -173.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.579 ' HB3' ' HB3' ' A' ' 72' ' ' GLU . 50.5 t60 -126.24 101.37 6.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.193 0.52 . . . . 0.0 110.786 -176.501 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.777 HD11 ' HB2' ' A' ' 87' ' ' CYS . 1.9 mp -113.92 111.03 34.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 175.202 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -78.98 169.19 18.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.861 0.363 . . . . 0.0 110.559 -176.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.565 HD12 ' N ' ' A' ' 93' ' ' ASP . 1.3 pp -63.39 -32.59 74.07 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -174.277 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.565 ' N ' HD12 ' A' ' 92' ' ' LEU . 32.3 t70 -71.45 -35.53 70.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.238 0.542 . . . . 0.0 109.634 -178.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.5 t -67.33 -47.23 71.12 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.356 178.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 72.4 mt -60.59 -42.01 90.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.97 179.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.2 t -60.01 -52.07 66.96 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.475 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -61.92 -47.22 85.91 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.944 0.402 . . . . 0.0 110.513 178.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 47.0 tp -61.92 -56.05 23.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.975 -174.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 51.2 ttt-85 -66.14 -38.59 88.51 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.876 -0.329 . . . . 0.0 111.058 -173.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.46 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 56.1 mtt180 -68.51 -26.52 65.49 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.368 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.558 HD22 HD11 ' A' ' 63' ' ' LEU . 33.4 tp -68.27 -39.39 82.19 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 176.005 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.71 HG21 HD11 ' A' ' 112' ' ' LEU . 58.1 t -67.41 -40.11 83.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.021 173.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -62.43 -41.57 98.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.007 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 81.9 mt -62.64 -35.47 79.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.955 0.407 . . . . 0.0 111.335 178.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -93.42 2.71 56.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.103 -178.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.9 mt 55.99 38.12 29.61 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.588 0.555 . . . . 0.0 110.979 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -66.46 -27.75 73.3 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.943 -176.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.2 t70 71.35 150.55 0.1 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.217 0.607 . . . . 0.0 110.479 -176.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -87.12 -1.67 58.06 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.713 0.635 . . . . 0.0 112.713 -172.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -56.45 -43.55 79.61 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.465 0.65 . . . . 0.0 109.722 173.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 42.6 mt -62.98 -31.01 72.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.833 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.71 HD11 HG21 ' A' ' 102' ' ' VAL . 92.2 mt -94.58 1.64 55.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.972 -175.655 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -131.44 28.2 4.67 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -175.087 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 25.0 mtt180 -78.44 -95.83 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 173.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.531 ' HB2' HD12 ' A' ' 118' ' ' LEU . 3.4 mm-40 -174.41 168.4 3.89 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 172.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.614 HD13 ' HA3' ' A' ' 40' ' ' GLY . 67.2 tp -64.88 -49.93 68.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 118.23 0.468 . . . . 0.0 110.094 178.308 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.65 -18.87 65.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.742 176.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.531 HD12 ' HB2' ' A' ' 115' ' ' GLU . 97.0 mt -95.33 1.81 54.5 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.912 0.386 . . . . 0.0 110.639 178.796 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 119' ' ' LEU . 2.2 tp -98.07 108.62 21.37 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.186 0.517 . . . . 0.0 110.394 -176.234 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 30.8 m -88.02 171.99 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.754 177.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 98.0 p -100.91 171.68 7.5 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.869 0.366 . . . . 0.0 110.509 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 179.874 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 p -165.32 147.17 7.63 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.598 177.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -86.18 -57.96 2.82 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 177.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -63.61 106.91 1.04 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.877 0.846 . . . . 0.0 110.717 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -145.21 -29.52 0.44 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.502 -1.226 . . . . 0.0 109.734 -174.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -114.66 156.36 24.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.074 -177.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -77.8 -36.13 50.65 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 173.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.8 mmt85 -81.99 -178.38 6.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.535 -1.211 . . . . 0.0 109.184 173.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -104.67 127.49 52.45 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 168.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.664 ' HD3' ' H ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -56.61 144.12 33.22 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 178.51 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -51.38 108.87 0.29 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 123.71 0.632 . . . . 0.0 111.989 -173.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -95.56 22.31 7.24 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 175.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -135.72 144.07 45.69 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.194 -1.366 . . . . 0.0 107.851 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.635 ' O ' ' HA ' ' A' ' 35' ' ' ASP . 35.9 mm -85.09 89.36 2.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 C-N-CA 119.736 -0.786 . . . . 0.0 110.53 -175.245 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -160.7 103.94 1.37 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.243 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -107.44 161.95 14.37 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.546 -174.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -83.63 81.35 8.78 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 174.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.36 144.76 46.8 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.459 -176.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.55 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 18.7 m-20 -71.1 110.06 5.55 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 176.017 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.477 ' HB3' ' O ' ' A' ' 31' ' ' VAL . 22.6 t -101.12 108.23 19.86 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.253 -178.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.57 ' OE2' ' HD2' ' A' ' 28' ' ' ARG . 38.1 mt-10 -109.85 119.7 40.16 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.818 175.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.596 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 71.3 mt -101.22 111.53 31.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 170.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.525 HD23 ' H ' ' A' ' 23' ' ' LEU . 2.2 pt? -127.92 171.48 11.77 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.839 -173.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -141.28 78.81 1.66 Allowed 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 174.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.79 -84.32 0.04 OUTLIER Glycine 0 CA--C 1.521 0.411 0 CA-C-N 115.105 -0.952 . . . . 0.0 113.371 -177.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -85.97 -30.13 23.0 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 123.172 0.589 . . . . 0.0 111.938 -173.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -106.65 123.92 48.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.742 -0.208 . . . . 0.0 110.94 -171.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.57 ' HD2' ' OE2' ' A' ' 21' ' ' GLU . 8.9 ttp180 -112.92 134.88 54.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.723 -0.217 . . . . 0.0 110.966 -178.174 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 6.8 m-90 -129.62 108.34 10.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.192 0.52 . . . . 0.0 110.525 172.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -72.47 128.79 36.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.773 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.477 ' O ' ' HB3' ' A' ' 20' ' ' SER . 11.6 p -137.71 160.76 33.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.786 0.327 . . . . 0.0 111.198 -173.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.402 ' N ' HG22 ' A' ' 31' ' ' VAL . 8.1 mp -96.36 129.4 43.7 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.328 176.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.5 tt -81.64 138.04 35.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.084 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -111.51 -42.7 3.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.642 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.635 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 13.4 t70 -165.14 139.23 4.87 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 172.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.541 HG23 ' HB ' ' A' ' 41' ' ' ILE . 7.5 p -132.72 141.7 44.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.936 0.398 . . . . 0.0 110.356 -179.203 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.7 p -145.48 -169.78 3.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.938 0.399 . . . . 0.0 111.344 -175.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.3 mt -84.65 -12.3 54.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.154 -174.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.2 p-80 -107.96 -19.58 13.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.496 -177.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 176.49 -178.15 47.86 Favored Glycine 0 N--CA 1.443 -0.855 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.285 -175.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.541 ' HB ' HG23 ' A' ' 36' ' ' VAL . 8.5 tt -148.65 133.21 9.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 120.814 0.34 . . . . 0.0 110.218 -177.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.618 HD11 ' HB3' ' A' ' 82' ' ' LEU . 55.4 tp -108.61 114.46 28.3 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.034 0.445 . . . . 0.0 110.245 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.8 m -113.49 167.72 6.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.208 176.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -124.94 113.63 2.0 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.617 -0.801 . . . . 0.0 111.395 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.576 ' HG3' HD13 ' A' ' 83' ' ' LEU . 72.9 mt-30 -108.89 113.64 59.26 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-O 120.945 0.403 . . . . 0.0 110.695 -178.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -78.07 12.33 2.05 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 123.221 2.614 . . . . 0.0 111.461 174.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 62.0 tp60 -148.62 127.34 12.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.173 -0.922 . . . . 0.0 108.791 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -89.14 133.63 34.32 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.877 0.37 . . . . 0.0 110.71 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.412 ' HH2' HG21 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -89.73 -111.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.23 179.789 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -95.06 -65.71 0.96 Allowed 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 174.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.33 63.81 0.9 Allowed Glycine 0 CA--C 1.5 -0.851 0 C-N-CA 120.053 -1.07 . . . . 0.0 110.614 176.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.595 ' OD1' ' HB2' ' A' ' 54' ' ' GLN . 15.9 t70 -133.44 109.91 12.45 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.184 -0.508 . . . . 0.0 109.803 -175.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -66.94 -9.9 26.57 Favored 'Trans proline' 0 CA--C 1.529 0.273 0 C-N-CA 123.251 2.634 . . . . 0.0 112.833 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.595 ' HB2' ' OD1' ' A' ' 52' ' ' ASP . 2.4 mp0 -84.42 -13.71 51.38 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.41 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 45.1 mtt180 -97.25 110.68 55.45 Favored Pre-proline 0 N--CA 1.449 -0.509 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.843 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 55' ' ' ARG . 41.7 Cg_endo -69.74 143.6 51.42 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.599 2.199 . . . . 0.0 111.449 176.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -121.76 152.83 39.03 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.05 0.453 . . . . 0.0 111.016 -174.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.596 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 36.8 mt-10 -106.19 128.15 53.72 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.502 ' HB3' ' HG3' ' A' ' 71' ' ' MET . . . -109.41 107.92 18.26 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 177.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.484 ' HG2' HD11 ' A' ' 68' ' ' LEU . 33.7 ttm180 -109.99 115.4 29.7 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.884 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.649 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 67.6 mt -106.67 106.99 17.78 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.591 -176.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.55 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 28.2 m-85 -85.41 95.07 9.14 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 176.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 22.2 tp -78.93 -23.54 44.59 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 177.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -169.14 167.59 40.59 Favored Glycine 0 N--CA 1.436 -1.357 0 CA-C-N 113.646 -1.616 . . . . 0.0 109.335 172.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.5 mt -56.91 -41.57 78.38 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 117.63 0.715 . . . . 0.0 110.73 178.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -94.08 -8.2 40.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.48 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 32.8 t -114.46 92.99 2.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-O 121.045 0.45 . . . . 0.0 110.159 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.484 HD11 ' HG2' ' A' ' 60' ' ' ARG . 49.8 tp -109.94 122.97 48.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.277 -176.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.649 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 58.1 mt -103.53 132.56 49.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 173.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -135.17 143.65 46.59 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.761 0.315 . . . . 0.0 111.155 -175.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.502 ' HG3' ' HB3' ' A' ' 59' ' ' ALA . 17.9 ptm -158.58 128.21 5.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.225 -178.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -85.21 125.36 32.8 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.754 175.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.535 HG22 ' HA ' ' A' ' 87' ' ' CYS . 22.7 pt -132.47 172.32 16.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.732 -175.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.4 m -132.23 146.75 52.22 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.188 172.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 63.0 tp -69.41 112.77 6.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.406 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.13 -49.74 7.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.454 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 65.9 p-90 -156.0 141.24 17.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.928 0.394 . . . . 0.0 111.549 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -120.39 122.18 40.18 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 172.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -150.83 113.48 4.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.694 0.283 . . . . 0.0 111.683 -172.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 66.05 26.45 10.78 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.347 173.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.58 -11.44 68.45 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.321 -0.943 . . . . 0.0 112.132 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.618 ' HB3' HD11 ' A' ' 42' ' ' LEU . 74.8 mt -96.74 122.33 39.57 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.211 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.576 HD13 ' HG3' ' A' ' 45' ' ' GLN . 5.5 mp -115.35 114.52 25.24 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.068 0.461 . . . . 0.0 110.361 -179.234 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -98.9 114.88 5.15 Favored Glycine 0 N--CA 1.441 -0.984 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.215 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -99.49 152.77 19.62 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -103.73 135.09 45.94 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 176.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.535 ' HA ' HG22 ' A' ' 73' ' ' ILE . 74.8 m -76.2 132.83 40.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.946 -177.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -112.03 -53.6 2.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.508 177.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -139.31 98.25 3.47 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 -176.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 32.9 mt -97.76 124.55 50.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 172.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.423 ' O ' ' HB3' ' A' ' 94' ' ' SER . 28.9 t70 -60.99 147.24 44.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.748 0.309 . . . . 0.0 111.115 -176.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.63 -45.09 92.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.241 -177.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -69.39 -35.94 76.28 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.423 ' HB3' ' O ' ' A' ' 91' ' ' ASP . 32.4 t -57.54 -50.96 71.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.417 174.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 80.3 mt -60.01 -39.5 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-O 121.002 0.43 . . . . 0.0 110.332 176.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 53.9 m -59.02 -39.28 81.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.884 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -70.73 -47.39 59.96 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.888 0.375 . . . . 0.0 110.394 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.418 ' O ' HG23 ' A' ' 102' ' ' VAL . 57.1 tp -58.44 -53.55 57.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.379 -176.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 99' ' ' ARG . 32.2 ttm180 -66.35 -36.94 84.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 -177.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.46 HH11 ' HD2' ' A' ' 100' ' ' ARG . 10.1 tpp85 -63.26 -39.24 94.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.867 177.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.2 tp -65.59 -42.05 92.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.747 0.308 . . . . 0.0 110.678 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 98' ' ' LEU . 64.3 t -63.47 -44.76 98.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.371 . . . . 0.0 110.373 177.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -59.71 -46.27 89.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.614 177.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.3 tt -57.44 -45.9 84.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.756 -177.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -80.58 -16.01 55.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.154 -177.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.592 ' HB3' HH21 ' A' ' 10' ' ' ARG . 29.5 tp 59.15 52.93 5.76 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.995 0.902 . . . . 0.0 109.203 -171.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' A' ' 108' ' ' ASP . . . -90.1 -0.4 77.49 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 114.948 -1.024 . . . . 0.0 112.358 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 107' ' ' GLY . 1.3 m-20 72.12 120.47 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.604 0.716 . . . . 0.0 111.507 -178.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 113' ' ' GLU . 1.5 mp0 -65.69 -8.96 23.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.277 176.165 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -50.58 -36.52 35.16 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.277 174.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.599 HD22 HH21 ' A' ' 114' ' ' ARG . 72.3 mt -63.33 -32.18 73.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.328 0.585 . . . . 0.0 111.07 -178.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.4 mt -79.84 -14.62 58.53 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.751 -177.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 72.4 mt-10 -102.0 12.52 36.75 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -170.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.684 ' HB2' HD11 ' A' ' 119' ' ' LEU . 14.8 mtt85 -76.23 -162.67 0.25 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.067 0.461 . . . . 0.0 109.929 175.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.436 ' O ' HD13 ' A' ' 119' ' ' LEU . 1.5 tm-20 -123.31 148.2 46.22 Favored 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 173.28 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 61.6 tp -53.42 -38.26 63.31 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 118.246 0.475 . . . . 0.0 112.061 -174.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.52 -16.85 64.45 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.846 0.355 . . . . 0.0 111.53 177.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 79.2 mt -89.96 -15.23 32.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.715 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.684 HD11 ' HB2' ' A' ' 114' ' ' ARG . 10.8 mp -86.42 104.79 16.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.53 0.681 . . . . 0.0 111.077 -177.044 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 121' ' ' SER . 15.0 t -113.55 166.38 7.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.042 -178.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.45 ' N ' HG12 ' A' ' 120' ' ' VAL . 21.1 p -69.28 171.63 8.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.76 0.314 . . . . 0.0 111.118 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -58.8 -27.27 64.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.42 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -106.36 133.64 50.74 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 173.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -121.55 137.47 54.72 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.002 0.429 . . . . 0.0 109.95 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--O 1.245 0.816 0 CA-C-O 118.661 -0.685 . . . . 0.0 110.001 -177.963 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.0 mtp . . . . . 0 N--CA 1.482 1.175 0 CA-C-O 120.846 0.355 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 p -89.51 17.81 5.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.465 0.65 . . . . 0.0 110.089 174.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -69.1 118.75 12.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.131 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -76.05 -61.4 1.95 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.918 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -137.94 89.46 2.4 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 174.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -80.03 114.17 18.74 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.949 -177.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.37 -8.32 56.75 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.422 176.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 68.0 123.8 0.03 OUTLIER 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.737 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -62.1 124.08 19.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.117 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 58.6 mtt180 -93.54 168.55 10.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.993 -175.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -87.39 129.96 34.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.296 -178.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -72.19 120.62 18.05 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.108 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -65.28 168.48 6.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.24 175.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.52 HG23 ' O ' ' A' ' 14' ' ' ILE . 17.8 tt -77.46 89.44 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-O 122.823 1.297 . . . . 0.0 109.73 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.9 101.48 4.31 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.3 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -76.8 167.13 22.36 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.064 -178.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -80.19 46.71 0.84 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 171.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -97.13 144.22 27.19 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.623 -1.172 . . . . 0.0 110.522 -173.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.545 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 20.9 m-20 -91.45 118.37 30.5 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 175.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.5 t -107.31 115.15 29.65 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.502 -176.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.79 ' HG2' ' HG3' ' A' ' 30' ' ' GLU . 56.2 mt-10 -106.21 129.58 54.23 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.224 176.094 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.429 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 76.9 mt -96.81 115.4 36.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 173.033 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.525 ' HB2' ' HB2' ' A' ' 58' ' ' GLU . 6.9 mt -101.85 135.81 42.75 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.186 -174.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -116.76 77.28 1.1 Allowed 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 171.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.36 -73.89 1.54 Allowed Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.127 -177.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -119.34 -36.03 3.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.811 0.339 . . . . 0.0 111.423 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -90.12 130.34 36.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.64 -172.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.0 ptt85 -112.35 140.35 47.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.664 -177.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 16.8 m-90 -124.89 111.05 15.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.305 174.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.79 ' HG3' ' HG2' ' A' ' 21' ' ' GLU . 4.1 mp0 -67.36 121.07 14.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.117 0.484 . . . . 0.0 110.342 174.27 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.6 p -116.61 161.69 15.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.249 -175.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 mp -90.5 118.83 30.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.709 0.29 . . . . 0.0 110.701 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.477 HD11 ' HB ' ' A' ' 36' ' ' VAL . 65.8 tp -71.04 146.21 49.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.403 176.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -128.88 -44.12 1.33 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.718 176.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.419 ' CG ' HH22 ' A' ' 114' ' ' ARG . 10.1 t70 -153.13 138.66 17.72 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 177.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.477 ' HB ' HD11 ' A' ' 33' ' ' LEU . 8.7 p -137.85 140.69 40.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.519 ' OG ' ' HA ' ' A' ' 112' ' ' LEU . 5.6 t -151.41 -169.82 3.48 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 120.424 -0.51 . . . . 0.0 111.342 -174.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.9 tp -90.28 10.89 23.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.946 0.879 . . . . 0.0 110.657 -171.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -138.88 19.13 2.65 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.606 -176.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.88 -163.88 25.84 Favored Glycine 0 N--CA 1.442 -0.964 0 C-N-CA 120.233 -0.984 . . . . 0.0 112.805 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.0 tt -157.58 139.2 5.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 120.617 0.246 . . . . 0.0 110.403 -174.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.702 HD11 ' HB3' ' A' ' 82' ' ' LEU . 39.5 tp -115.05 118.22 32.78 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.519 -178.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.45 HG12 ' HA ' ' A' ' 33' ' ' LEU . 30.5 m -127.23 169.98 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.794 0.33 . . . . 0.0 111.243 -178.228 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -113.9 107.12 1.84 Allowed Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 176.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.678 ' HB3' HD12 ' A' ' 83' ' ' LEU . 24.5 tp60 -123.53 111.66 29.69 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 120.646 0.26 . . . . 0.0 111.344 -172.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.466 ' HD2' HE21 ' A' ' 45' ' ' GLN . 3.1 Cg_exo -77.59 47.42 2.29 Favored 'Trans proline' 0 CA--C 1.532 0.402 0 C-N-CA 123.402 2.735 . . . . 0.0 112.009 175.115 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -135.56 128.39 31.16 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -176.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.402 ' O ' ' HB2' ' A' ' 49' ' ' TRP . 44.3 m-20 -77.35 19.22 0.35 Allowed 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.814 -176.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.549 ' CZ2' HD13 ' A' ' 83' ' ' LEU . 37.5 m95 70.48 145.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 123.433 0.693 . . . . 0.0 111.406 -176.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -67.3 -26.68 66.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.491 -175.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.84 -79.09 0.06 OUTLIER Glycine 0 N--CA 1.442 -0.902 0 C-N-CA 120.158 -1.02 . . . . 0.0 112.179 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.645 ' OD2' ' HG3' ' A' ' 54' ' ' GLN . 1.4 p30 -153.08 155.87 32.28 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 -175.278 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -85.54 41.19 0.86 Allowed 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 123.068 2.512 . . . . 0.0 113.881 -175.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.645 ' HG3' ' OD2' ' A' ' 52' ' ' ASP . 5.3 pp0? -127.31 3.89 6.33 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-O 122.632 1.206 . . . . 0.0 108.087 176.027 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.9 ttm105 -100.19 137.34 20.02 Favored Pre-proline 0 N--CA 1.434 -1.233 0 CA-C-N 113.112 -1.858 . . . . 0.0 110.17 -170.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.94 132.02 49.49 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.873 2.382 . . . . 0.0 112.378 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -116.03 152.28 33.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.599 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.525 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 39.9 mt-10 -116.92 135.97 53.31 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 121.193 -0.203 . . . . 0.0 110.724 -177.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -117.55 125.26 50.52 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.705 0.288 . . . . 0.0 110.628 178.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -124.15 112.7 17.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.919 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.737 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 64.7 mt -103.76 126.68 51.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.704 -175.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.545 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 67.0 m-85 -100.96 111.8 24.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.899 176.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -104.45 -26.0 12.58 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.247 0.546 . . . . 0.0 109.655 173.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -174.82 -168.25 35.23 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.3 mt -77.62 -30.47 52.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.102 0.477 . . . . 0.0 110.276 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -94.01 -32.01 14.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.215 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.9 t -94.61 92.21 3.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.204 -175.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.3 tp -116.46 119.71 36.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.45 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.737 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 66.7 mt -104.88 133.04 50.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.859 -177.143 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -129.11 142.08 51.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.17 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.43 ' HB3' HG23 ' A' ' 90' ' ' ILE . 21.4 ptm -154.71 134.52 12.89 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 120.809 0.337 . . . . 0.0 111.451 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -83.55 126.51 32.88 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.726 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 14.0 pt -136.61 148.1 27.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.334 0.588 . . . . 0.0 112.325 -174.287 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 54.7 p -121.22 130.56 53.75 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 172.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.4 tp -64.25 115.83 5.41 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.576 -178.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -118.95 -6.3 10.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.167 0.508 . . . . 0.0 110.398 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.808 ' HB2' HD21 ' A' ' 116' ' ' LEU . 0.3 OUTLIER -133.87 145.63 49.84 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-O 121.811 0.815 . . . . 0.0 109.579 -176.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -162.48 103.88 1.08 Allowed 'General case' 0 C--N 1.293 -1.867 0 CA-C-N 114.038 -1.437 . . . . 0.0 110.225 -177.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.631 ' HB2' ' CZ3' ' A' ' 77' ' ' TRP . 6.2 mmm180 -128.12 92.2 3.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.846 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.5 t70 65.95 -84.89 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.82 177.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -122.65 -5.49 8.38 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.85 -0.691 . . . . 0.0 111.652 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.796 ' HG ' ' HB3' ' A' ' 121' ' ' SER . 4.4 mm? -95.97 115.98 28.25 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.362 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.678 HD12 ' HB3' ' A' ' 45' ' ' GLN . 51.5 mt -109.25 128.62 55.21 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.522 -176.324 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.481 ' HA3' ' HB3' ' A' ' 77' ' ' TRP . . . -114.48 125.87 7.02 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.871 -177.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.726 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 55.9 m-85 -104.33 145.18 30.62 Favored 'General case' 0 C--N 1.314 -0.969 0 O-C-N 122.607 -0.349 . . . . 0.0 110.423 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -94.47 126.23 39.61 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 173.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.513 ' HA ' HG22 ' A' ' 73' ' ' ILE . 24.6 p -75.23 114.08 13.33 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.102 0.477 . . . . 0.0 110.737 -178.507 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -81.05 -37.42 29.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.475 177.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -160.66 119.33 2.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.681 176.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.43 HG23 ' HB3' ' A' ' 71' ' ' MET . 32.2 mt -102.78 132.9 47.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 172.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.491 ' O ' HG13 ' A' ' 95' ' ' ILE . 14.1 t70 -57.0 128.89 39.23 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 178.178 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.645 HD13 HD12 ' A' ' 95' ' ' ILE . 4.4 mm? -60.81 -35.93 77.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.056 -173.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -69.12 -41.37 77.48 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 178.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.539 ' HB3' HG23 ' A' ' 69' ' ' ILE . 20.9 m -60.81 -41.6 95.99 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.791 176.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.645 HD12 HD13 ' A' ' 92' ' ' LEU . 71.5 mt -58.83 -44.04 89.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 120.911 0.386 . . . . 0.0 110.596 176.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.3 t -58.82 -47.89 83.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.398 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -64.84 -38.97 92.77 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 110.562 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.514 ' O ' HG23 ' A' ' 102' ' ' VAL . 61.8 tp -59.08 -58.68 7.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.902 -179.422 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.464 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 77.4 ttt180 -67.0 -34.56 78.0 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.761 -176.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.454 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 12.7 tpp180 -62.32 -39.02 91.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.8 0.333 . . . . 0.0 110.5 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.4 tp -68.41 -34.92 76.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.161 177.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 98' ' ' LEU . 57.3 t -65.6 -43.42 94.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.134 176.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 99' ' ' ARG . 7.2 mm-40 -56.61 -46.59 80.81 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.599 176.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 95.1 mt -59.35 -34.27 72.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.482 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -94.13 5.07 52.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.648 -176.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.483 HD13 ' HA ' ' A' ' 106' ' ' LEU . 3.6 mm? 57.99 33.07 22.79 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.06 0.457 . . . . 0.0 111.269 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -76.49 106.02 2.1 Favored Glycine 0 N--CA 1.437 -1.274 0 C-N-CA 120.42 -0.895 . . . . 0.0 111.288 177.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.597 ' HB3' ' HG2' ' A' ' 110' ' ' GLU . 2.6 m-20 -36.05 117.59 0.47 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.271 0.558 . . . . 0.0 111.432 172.332 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -72.43 1.88 7.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.981 -172.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.597 ' HG2' ' HB3' ' A' ' 108' ' ' ASP . 8.2 mm-40 -57.38 -32.47 66.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.538 0.685 . . . . 0.0 109.561 176.132 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.474 HD13 ' HB ' ' A' ' 14' ' ' ILE . 86.9 mt -66.16 -23.34 66.45 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.094 -177.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.519 ' HA ' ' OG ' ' A' ' 37' ' ' SER . 97.5 mt -89.55 -20.11 24.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.753 -175.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -108.18 20.39 18.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.891 0.377 . . . . 0.0 111.445 -172.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.456 ' NE ' ' HA ' ' A' ' 111' ' ' LEU . 80.6 mtm180 -84.98 -169.42 2.64 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.546 ' O ' HD13 ' A' ' 119' ' ' LEU . 0.4 OUTLIER -115.6 154.82 28.75 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 172.642 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.808 HD21 ' HB2' ' A' ' 77' ' ' TRP . 25.3 tp -55.66 -34.77 65.29 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.11 0.413 . . . . 0.0 110.802 177.379 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.05 -18.91 62.16 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 111.836 175.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 90.4 mt -99.65 -4.34 31.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.853 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' ' 115' ' ' GLU . 8.8 mp -95.07 88.24 5.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.509 0.671 . . . . 0.0 110.058 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 121' ' ' SER . 11.5 t -93.86 168.06 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.409 -179.045 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.796 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 2.4 p -61.4 171.96 1.28 Allowed 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 122.892 0.477 . . . . 0.0 111.41 178.518 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -48.48 -38.72 20.82 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.144 0.497 . . . . 0.0 110.955 -177.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -124.14 154.86 39.42 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 168.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -94.98 -33.66 12.66 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 172.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 33.6 t70 . . . . . 0 C--O 1.251 1.161 0 CA-C-N 114.721 -1.127 . . . . 0.0 109.699 176.271 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.478 0.938 0 CA-C-O 120.928 0.395 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 t -97.13 80.51 2.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.625 0.726 . . . . 0.0 109.993 176.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -105.2 9.62 34.02 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.06 176.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -54.97 128.22 32.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.301 -175.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -120.62 -8.73 9.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.716 -175.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -83.77 89.97 7.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.281 0.562 . . . . 0.0 109.894 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.36 -42.73 12.65 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.545 174.265 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.461 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 38.9 ttm180 50.52 88.66 0.02 OUTLIER 'General case' 0 C--O 1.231 0.102 0 O-C-N 124.038 0.836 . . . . 0.0 110.547 178.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 9.2 ptm180 -70.84 -19.54 62.64 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.525 -172.7 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.461 ' HD2' ' O ' ' A' ' 8' ' ' ARG . 8.6 mpt_? 67.31 164.98 0.22 Allowed 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.636 0.731 . . . . 0.0 111.565 -177.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -102.92 105.15 15.45 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 168.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -78.21 -94.16 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.05 -170.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.573 ' HD3' ' HA ' ' A' ' 122' ' ' ALA . 77.3 mtp85 -149.15 -155.28 0.62 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 -173.022 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.649 HG21 HG12 ' A' ' 36' ' ' VAL . 34.0 mm -65.85 94.86 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.33 0.586 . . . . 0.0 111.141 -178.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -152.82 103.49 2.77 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.684 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -121.16 166.82 13.4 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.375 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -79.09 82.85 5.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.334 0.587 . . . . 0.0 111.366 -176.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.25 138.1 43.21 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.372 174.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.573 ' O ' ' HD2' ' A' ' 62' ' ' TYR . 37.0 t70 -73.65 114.53 12.02 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 p -107.82 113.58 26.91 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.288 0.566 . . . . 0.0 112.074 -174.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -119.7 131.33 55.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.349 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.443 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 72.2 mt -104.03 107.65 22.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 172.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.7 HD23 ' H ' ' A' ' 23' ' ' LEU . 2.0 pt? -112.41 152.14 29.01 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.253 0.549 . . . . 0.0 110.627 -177.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.565 ' OE1' ' HD3' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -125.83 17.19 8.0 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.701 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.76 -43.02 2.73 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.608 -174.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.605 ' HG3' ' ND2' ' A' ' 50' ' ' ASN . 2.3 mm-40 -61.81 -40.87 96.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.303 0.573 . . . . 0.0 110.154 176.202 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.1 ttt-85 -162.74 161.11 26.15 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.003 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.2 ptt180 -114.48 118.02 32.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 173.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 27.6 m-90 -97.03 123.33 40.73 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.892 -178.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -70.57 116.17 10.58 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 174.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -119.81 159.08 21.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -177.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 mp -103.97 131.34 51.3 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.464 178.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.521 HD11 ' HB ' ' A' ' 36' ' ' VAL . 64.0 tp -68.75 138.35 54.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.47 177.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.417 ' HB3' ' OG ' ' A' ' 121' ' ' SER . 31.9 m-70 -130.99 -37.27 1.29 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.598 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.505 ' HA ' ' HB ' ' A' ' 14' ' ' ILE . 56.3 t0 -170.15 111.2 0.42 Allowed 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.186 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.649 HG12 HG21 ' A' ' 14' ' ' ILE . 7.7 p -113.74 156.32 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 O-C-N 122.108 -0.37 . . . . 0.0 110.507 -177.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.475 ' OG ' ' HA ' ' A' ' 112' ' ' LEU . 3.3 t -157.05 -178.89 7.7 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 -177.232 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.461 ' HG ' ' HB3' ' A' ' 112' ' ' LEU . 92.1 mt -82.03 -2.46 51.78 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.266 0.555 . . . . 0.0 111.449 -176.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.697 ' HA ' ' SG ' ' A' ' 87' ' ' CYS . 13.5 p80 -121.03 21.41 11.32 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.242 -177.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' A' ' 85' ' ' PHE . . . 132.78 -159.57 23.52 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 119.916 -1.135 . . . . 0.0 112.339 178.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.53 HG12 HG13 ' A' ' 43' ' ' VAL . 15.9 tt -158.6 140.36 5.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.142 0.496 . . . . 0.0 111.183 -173.058 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.492 HD11 ' HB3' ' A' ' 82' ' ' LEU . 58.8 tp -111.39 114.27 27.3 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.293 175.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.53 HG13 HG12 ' A' ' 41' ' ' ILE . 14.4 m -126.57 170.35 16.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.519 -176.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.454 ' HA2' ' O ' ' A' ' 81' ' ' GLY . . . -111.55 103.8 1.6 Allowed Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 176.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.47 106.98 58.12 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -176.328 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -71.47 -30.18 15.54 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.948 2.432 . . . . 0.0 113.122 -176.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -90.65 175.61 6.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.209 0.528 . . . . 0.0 111.237 -174.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -98.55 163.82 12.51 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.97 177.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -88.58 176.12 7.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.191 0.52 . . . . 0.0 111.521 -174.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.605 ' ND2' ' HG3' ' A' ' 26' ' ' GLU . 23.4 p-10 -86.5 -44.16 12.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.088 -175.112 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.08 -86.2 0.12 Allowed Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.072 -1.061 . . . . 0.0 112.883 -178.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -130.84 154.89 82.02 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-O 120.631 0.253 . . . . 0.0 110.963 -172.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.409 ' HB3' HD23 ' A' ' 75' ' ' LEU . 93.4 Cg_endo -79.37 10.97 2.81 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.008 2.472 . . . . 0.0 113.475 -177.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -111.15 16.08 21.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.631 0.729 . . . . 0.0 110.265 178.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.565 ' HD3' ' OE1' ' A' ' 24' ' ' GLN . 45.9 mtt180 -87.57 139.06 31.52 Favored Pre-proline 0 N--CA 1.444 -0.757 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.178 171.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -58.98 107.36 0.34 Allowed 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.387 2.058 . . . . 0.0 111.954 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -95.52 135.36 37.28 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.443 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 44.8 mt-10 -113.12 119.42 37.76 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.791 0.329 . . . . 0.0 110.584 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.8 107.3 19.75 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.8 177.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -96.91 111.63 23.75 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.446 177.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.86 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 75.9 mt -99.96 99.92 10.74 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 175.339 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.573 ' HD2' ' O ' ' A' ' 19' ' ' ASP . 40.1 m-85 -79.73 94.63 5.78 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.1 tp -88.97 -29.99 19.12 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -155.36 -176.38 27.47 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.994 177.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.96 -45.58 81.22 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.0 0.4 . . . . 0.0 110.372 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.95 5.55 28.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.145 0.498 . . . . 0.0 110.633 177.379 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.0 t -105.77 84.25 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.1 tp -110.73 117.47 33.53 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.126 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.86 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 55.2 mt -94.24 92.34 3.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 175.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.533 ' O ' ' HD3' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -105.36 123.51 47.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.608 0.718 . . . . 0.0 110.301 -178.263 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.405 ' HB2' HG12 ' A' ' 90' ' ' ILE . 20.0 ptm -127.67 121.18 29.73 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.767 -177.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -78.27 119.09 21.14 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 176.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.522 HG22 ' HA ' ' A' ' 87' ' ' CYS . 11.6 pt -133.72 161.19 41.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.234 0.54 . . . . 0.0 112.057 -172.177 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.579 ' HB2' ' NE2' ' A' ' 88' ' ' GLN . 34.1 t -119.38 139.05 52.62 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.007 173.373 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.409 HD23 ' HB3' ' A' ' 53' ' ' PRO . 48.6 tp -77.38 114.6 16.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.991 0.424 . . . . 0.0 110.361 -177.633 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.89 -49.97 6.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.24 -176.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -149.95 151.28 33.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.27 0.557 . . . . 0.0 111.769 -177.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -132.47 114.98 14.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.023 176.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -122.58 118.25 27.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.707 -0.224 . . . . 0.0 110.528 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.6 t70 61.54 -86.44 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.902 0.751 . . . . 0.0 111.093 -178.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.454 ' O ' ' HA2' ' A' ' 44' ' ' GLY . . . -137.27 2.66 3.22 Favored Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 177.07 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.492 ' HB3' HD11 ' A' ' 42' ' ' LEU . 80.2 mt -103.81 118.8 37.55 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.181 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.6 mp -114.09 127.97 56.17 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.705 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.31 124.72 7.88 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.126 -178.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.507 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 49.4 m-85 -109.72 143.35 39.64 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -98.56 142.25 30.38 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 175.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.697 ' SG ' ' HA ' ' A' ' 39' ' ' HIS . 28.4 p -80.1 137.97 36.86 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.499 0.666 . . . . 0.0 111.568 -172.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.579 ' NE2' ' HB2' ' A' ' 74' ' ' SER . 97.6 mt-30 -112.25 -41.15 3.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.031 175.369 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -154.33 98.45 2.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.908 0.385 . . . . 0.0 111.195 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.405 HG12 ' HB2' ' A' ' 71' ' ' MET . 51.9 mt -93.55 112.32 26.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 167.51 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -65.47 148.23 52.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.64 -172.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 39.3 tp -56.63 -34.68 67.52 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.915 0.388 . . . . 0.0 110.536 -177.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -57.67 -55.05 39.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.02 174.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.402 ' HB3' HG23 ' A' ' 69' ' ' ILE . 18.6 m -63.58 -37.02 85.74 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.947 -179.267 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 72.6 mt -60.21 -46.61 94.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.601 175.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 90.5 p -63.87 -36.93 85.53 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.467 -178.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 -66.41 -51.05 60.98 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.842 0.353 . . . . 0.0 110.303 177.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.6 tp -63.57 -46.99 83.37 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.476 -175.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -57.82 -55.7 31.53 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.777 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 26.2 mtm180 -60.94 -33.9 73.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.999 -176.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 63.4 tp -60.82 -55.22 35.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.866 0.365 . . . . 0.0 110.983 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 61.4 t -69.31 -41.09 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.054 0.454 . . . . 0.0 110.875 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -68.61 -33.91 74.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.439 -175.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 72.0 mt -78.14 -12.53 60.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.69 0.281 . . . . 0.0 111.394 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -100.11 -10.65 21.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.868 177.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 82.5 mt 59.73 39.18 21.22 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.087 175.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -100.06 42.9 1.87 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.676 -177.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 68.16 115.19 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.567 0.698 . . . . 0.0 112.408 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -19.11 62.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.044 175.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' A' ' 114' ' ' ARG . 46.6 mt-10 -59.92 -25.52 65.21 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.994 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.472 ' HA ' ' NE ' ' A' ' 114' ' ' ARG . 84.2 mt -65.12 -20.61 66.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.042 0.449 . . . . 0.0 110.638 178.604 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.475 ' HA ' ' OG ' ' A' ' 37' ' ' SER . 89.5 mt -95.95 -10.21 29.25 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.783 0.325 . . . . 0.0 110.557 176.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -110.19 20.22 18.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.592 -172.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.472 ' NE ' ' HA ' ' A' ' 111' ' ' LEU . 70.2 mtm180 -90.75 -165.12 1.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.767 0.317 . . . . 0.0 110.488 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.474 ' O ' HD13 ' A' ' 119' ' ' LEU . 8.3 tp10 -123.54 149.03 45.74 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 174.335 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 61.7 tp -51.57 -40.28 59.46 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 118.119 0.418 . . . . 0.0 111.429 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.76 -28.2 65.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.87 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.459 ' HG ' ' HB3' ' A' ' 115' ' ' GLU . 71.8 mt -85.99 -18.16 33.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.21 -177.447 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.474 HD13 ' O ' ' A' ' 115' ' ' GLU . 8.2 mp -77.22 110.9 12.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.504 0.668 . . . . 0.0 111.882 -173.356 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 22.0 t -106.54 161.64 5.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.236 172.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.417 ' OG ' ' HB3' ' A' ' 34' ' ' HIS . 20.7 t -87.03 165.5 15.77 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.756 0.312 . . . . 0.0 111.143 -171.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.573 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . . . -56.77 -31.09 64.28 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 168.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -75.91 85.23 2.85 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 165.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -85.14 106.94 16.97 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 177.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.576 -0.726 . . . . 0.0 110.454 -172.315 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.6 m -86.19 121.7 29.15 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 171.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -78.71 83.55 4.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.605 0.716 . . . . 0.0 111.849 -171.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -119.86 103.17 9.12 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.741 -1.118 . . . . 0.0 108.354 172.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -64.75 158.52 24.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.734 -174.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -62.02 134.67 56.92 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.443 ' HB2' ' H ' ' A' ' 8' ' ' ARG . 0.3 OUTLIER -97.34 -142.65 0.29 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -165.211 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.443 ' H ' ' HB2' ' A' ' 7' ' ' GLU . 58.5 mtp180 -89.86 0.99 56.71 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -163.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -85.03 111.87 20.11 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 174.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -73.48 -3.63 28.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.948 0.404 . . . . 0.0 111.063 -177.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -83.56 7.11 18.22 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.365 -177.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.603 ' HD2' ' HG2' ' A' ' 13' ' ' ARG . 9.4 p-80 -75.03 149.68 39.15 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.193 178.337 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.663 HH21 ' HB3' ' A' ' 124' ' ' ASP . 68.1 mmt-85 68.26 100.7 0.05 Allowed 'General case' 0 N--CA 1.471 0.591 0 O-C-N 123.866 0.729 . . . . 0.0 109.499 -173.105 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.403 HG12 ' H ' ' A' ' 14' ' ' ILE . 2.4 pt -87.21 89.49 3.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.546 0.689 . . . . 0.0 111.132 -178.303 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.48 79.07 1.88 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.375 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -71.11 140.94 50.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.666 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -80.96 90.83 5.97 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.446 -176.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.412 ' HB1' ' O ' ' A' ' 62' ' ' TYR . . . -135.51 163.25 30.52 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.87 177.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.526 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 5.2 m-20 -62.77 111.09 1.96 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 176.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.6 m -112.41 96.36 5.96 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.781 0.324 . . . . 0.0 110.269 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -102.66 129.7 49.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.514 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.516 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 1.9 mp -96.57 104.76 16.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 167.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.5 mt -95.09 132.29 40.15 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.327 -174.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -120.91 90.33 3.3 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 171.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.72 -73.4 1.21 Allowed Glycine 0 N--CA 1.445 -0.733 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.527 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -137.64 -14.89 1.42 Allowed 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -173.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.6 ttt180 -95.88 144.68 26.01 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.572 -175.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -99.76 140.15 34.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.393 -175.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 14.1 m-90 -127.67 92.43 3.48 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 165.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -83.93 112.26 19.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.984 0.421 . . . . 0.0 110.283 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.414 HG22 ' N ' ' A' ' 32' ' ' LEU . 9.7 p -125.12 161.22 29.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.133 -173.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 32' ' ' LEU . 5.7 mp -85.37 135.98 33.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.635 174.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.9 tp -70.31 144.32 51.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.974 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.599 ' HB2' ' O ' ' A' ' 42' ' ' LEU . 8.9 m170 -114.78 -54.62 2.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.348 176.338 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -162.13 135.25 6.09 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.6 p -127.78 142.16 44.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 55.9 p -149.68 -168.78 3.2 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 121.328 0.585 . . . . 0.0 112.371 -172.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 40.3 tp -85.98 1.29 50.74 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.001 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.543 ' HA ' ' SG ' ' A' ' 87' ' ' CYS . 1.8 p80 -127.96 13.75 6.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.87 -176.171 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.475 ' HA3' ' O ' ' A' ' 85' ' ' PHE . . . 133.72 -147.49 19.06 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 120.259 -0.972 . . . . 0.0 112.275 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.0 tt -161.28 146.91 4.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.849 0.357 . . . . 0.0 110.692 -172.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.599 ' O ' ' HB2' ' A' ' 34' ' ' HIS . 51.4 tp -114.05 126.5 55.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.768 176.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.8 m -125.71 179.35 3.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.801 0.334 . . . . 0.0 110.558 178.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -142.12 91.83 0.18 Allowed Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -95.4 126.97 43.84 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.944 0.402 . . . . 0.0 111.807 -173.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -78.74 -10.9 15.55 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 123.004 2.47 . . . . 0.0 111.548 174.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -107.7 135.86 48.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.871 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -71.22 172.18 9.75 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.396 0.617 . . . . 0.0 111.39 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.492 ' CZ2' HD13 ' A' ' 83' ' ' LEU . 45.6 m95 -78.03 178.1 7.77 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -170.234 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.53 -40.29 94.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.636 -1.166 . . . . 0.0 111.627 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 169.74 -59.15 0.19 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.68 -0.771 . . . . 0.0 111.747 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -135.83 151.32 73.86 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 178.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -81.37 28.68 0.55 Allowed 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.838 2.359 . . . . 0.0 113.297 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -97.3 -20.63 17.73 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 178.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.41 122.62 87.04 Favored Pre-proline 0 N--CA 1.44 -0.967 0 CA-C-N 113.425 -1.716 . . . . 0.0 110.274 174.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.67 140.47 62.28 Favored 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.554 2.169 . . . . 0.0 112.022 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -110.06 145.59 36.83 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.516 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 33.1 tt0 -118.68 123.59 45.28 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 174.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.401 ' HB3' ' CG ' ' A' ' 71' ' ' MET . . . -96.7 106.73 19.07 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 174.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.8 ttt85 -104.54 112.56 25.68 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.562 -175.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.618 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 77.2 mt -99.84 120.57 39.96 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.527 -176.279 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.526 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 9.8 m-85 -92.68 98.53 11.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.101 -178.069 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -95.08 -1.36 52.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.384 0.611 . . . . 0.0 109.503 175.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.88 -174.15 46.84 Favored Glycine 0 N--CA 1.441 -1.004 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.924 177.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -75.29 -38.66 60.24 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -94.55 -22.33 18.29 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.998 -176.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 55.2 t -99.96 104.86 16.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.57 -174.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -116.96 126.78 53.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.355 174.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.618 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 59.0 mt -99.38 104.03 15.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 172.153 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -104.28 136.22 44.28 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.142 0.496 . . . . 0.0 110.208 -178.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.401 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 14.7 ptp -134.13 112.06 10.82 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.138 173.316 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.52 ' HB3' ' HB3' ' A' ' 89' ' ' HIS . 10.6 tt0 -76.39 109.46 10.12 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 175.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.693 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 3.3 pt -123.68 151.28 28.32 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-O 121.498 0.666 . . . . 0.0 112.393 -166.334 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.3 m -108.55 120.4 42.33 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.695 176.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.7 tp -73.53 105.64 4.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.954 0.407 . . . . 0.0 110.328 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -112.11 -2.68 14.92 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.25 0.548 . . . . 0.0 109.724 175.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.408 ' HB2' HD21 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -123.05 141.97 51.38 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-O 122.248 1.023 . . . . 0.0 110.101 -177.147 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -162.27 107.35 1.21 Allowed 'General case' 0 C--N 1.286 -2.154 0 CA-C-N 113.25 -1.796 . . . . 0.0 110.039 -177.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -126.18 81.12 1.97 Allowed 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.067 -175.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.2 t70 62.51 -81.34 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.729 0.643 . . . . 0.0 111.796 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -119.19 -12.75 6.75 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.085 -0.578 . . . . 0.0 111.855 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.401 ' HB3' HD11 ' A' ' 42' ' ' LEU . 98.5 mt -89.48 115.04 26.61 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.492 HD13 ' CZ2' ' A' ' 49' ' ' TRP . 45.4 mt -107.81 126.13 52.26 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.416 -175.291 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -119.26 137.02 12.3 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.352 -176.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.693 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 29.6 m-85 -118.63 143.85 46.54 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 122.771 -0.252 . . . . 0.0 110.521 -178.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -94.91 142.67 27.2 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 171.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.543 ' SG ' ' HA ' ' A' ' 39' ' ' HIS . 9.0 p -72.61 114.75 11.08 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.244 0.545 . . . . 0.0 111.003 -177.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.414 ' HB3' ' O ' ' A' ' 72' ' ' GLU . 65.4 tt0 -96.44 -43.33 7.68 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.027 178.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.52 ' HB3' ' HB3' ' A' ' 72' ' ' GLU . 2.4 t-160 -150.0 98.97 2.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.944 176.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 46.5 mt -102.43 114.68 42.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 169.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -63.76 145.13 56.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.964 -176.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.7 mt -55.68 -37.64 68.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.788 -176.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -56.41 -52.4 64.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.626 175.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.532 ' HB3' HG23 ' A' ' 69' ' ' ILE . 60.0 m -63.9 -34.22 77.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.059 -178.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 72.5 mt -63.02 -44.38 99.59 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.087 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 175.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.1 m -62.52 -38.03 88.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.053 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -67.97 -44.65 76.22 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 177.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.79 -46.03 91.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.229 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -53.21 -48.99 67.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.87 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 19.3 tpp85 -68.63 -43.6 75.98 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.7 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 44.4 tp -57.45 -52.24 66.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.751 -177.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 95.3 t -61.62 -52.55 59.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.997 0.427 . . . . 0.0 110.901 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.88 -36.79 77.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.097 -177.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 44.5 tp -68.99 -32.77 72.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.188 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -96.43 10.61 37.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.317 -178.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 23.5 tp 68.04 27.99 6.86 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.48 0.657 . . . . 0.0 110.457 176.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -68.91 104.49 1.26 Allowed Glycine 0 N--CA 1.438 -1.232 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.575 176.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -42.48 119.42 1.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.058 0.456 . . . . 0.0 110.728 172.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.43 -22.21 66.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.435 -170.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 114' ' ' ARG . 92.4 mt-10 -65.41 -22.11 66.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.839 0.352 . . . . 0.0 110.555 -178.253 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 98.7 mt -63.26 -33.9 76.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.076 175.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.2 mt -79.84 -23.62 41.87 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.73 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -97.26 12.1 34.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.903 -170.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.425 ' HB3' ' HB2' ' A' ' 118' ' ' LEU . 84.8 mtm180 -82.01 -169.24 2.28 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 175.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.553 ' O ' HD13 ' A' ' 119' ' ' LEU . 0.4 OUTLIER -111.42 156.76 21.13 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 173.36 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.408 HD21 ' HB2' ' A' ' 77' ' ' TRP . 22.8 tp -53.32 -38.55 63.29 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 118.321 0.51 . . . . 0.0 110.844 176.478 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.54 -12.55 61.42 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 120.691 0.281 . . . . 0.0 111.721 176.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.425 ' HB2' ' HB3' ' A' ' 114' ' ' ARG . 86.4 mt -102.72 -5.69 23.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.803 0.335 . . . . 0.0 110.886 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 115' ' ' GLU . 7.2 mp -86.4 94.66 9.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.317 0.58 . . . . 0.0 110.328 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 26.1 t -88.42 144.84 8.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.367 -178.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 59.0 p -66.42 172.01 4.42 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.378 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -46.49 -43.47 16.82 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.754 178.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -89.47 97.69 11.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.421 0.629 . . . . 0.0 110.199 175.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.663 ' HB3' HH21 ' A' ' 13' ' ' ARG . 9.0 p-10 -94.66 124.97 39.01 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.588 -178.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.0 t70 . . . . . 0 C--O 1.247 0.954 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.661 178.891 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 m -49.97 -53.75 24.4 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 123.384 0.427 . . . . 0.0 112.053 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -141.89 151.54 42.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.617 0.246 . . . . 0.0 110.486 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.95 -57.65 0.21 Allowed 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -175.421 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 53.24 -122.33 2.01 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -173.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -172.21 176.09 3.52 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 174.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -70.21 -15.44 62.93 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -173.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.41 ' HD2' ' N ' ' A' ' 8' ' ' ARG . 9.2 mpt_? -87.09 67.56 9.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.056 0.455 . . . . 0.0 110.401 -177.002 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -77.84 -5.78 52.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.189 0.519 . . . . 0.0 110.668 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -137.63 126.32 23.81 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 175.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -90.52 114.51 26.73 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.025 0.44 . . . . 0.0 110.707 -177.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.55 ' O ' HD11 ' A' ' 111' ' ' LEU . 51.0 t-80 -85.35 113.49 21.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.2 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -82.73 163.5 21.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.93 0.395 . . . . 0.0 111.467 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.517 HG21 HG13 ' A' ' 102' ' ' VAL . 8.6 pt -108.48 89.63 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.832 175.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.06 106.13 11.69 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.91 0.386 . . . . 0.0 110.825 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -106.92 125.26 50.78 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.271 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -78.43 100.44 6.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.424 -176.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -133.62 165.02 25.89 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.894 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -71.55 113.11 8.24 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.3 t -115.78 111.71 20.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.879 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.457 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 28.4 mt-10 -107.8 123.17 48.16 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.744 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.501 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 68.7 mt -97.49 119.16 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 171.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.676 HD21 HH11 ' A' ' 60' ' ' ARG . 1.8 pt? -141.69 160.82 39.4 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.423 0.63 . . . . 0.0 111.791 -174.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -130.69 77.96 1.81 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.6 -1.182 . . . . 0.0 108.431 172.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.6 -88.43 0.35 Allowed Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.856 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -89.83 -30.4 17.96 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -173.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -97.85 123.98 42.05 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -174.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -136.36 131.34 34.12 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.018 0.437 . . . . 0.0 111.46 -174.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 40.8 p90 -142.63 134.2 26.57 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.648 176.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.528 ' CD ' ' H ' ' A' ' 30' ' ' GLU . 0.7 OUTLIER -87.43 151.2 23.25 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.312 0.577 . . . . 0.0 111.134 -175.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.408 HG23 ' HD3' ' A' ' 46' ' ' PRO . 14.4 p -135.17 157.37 40.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.159 -176.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.413 HD22 ' N ' ' A' ' 32' ' ' LEU . 1.5 mm? -87.49 125.67 34.45 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.9 tp -75.6 143.64 42.22 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.831 -178.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -127.49 -70.84 0.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.274 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.721 ' OD2' ' HA ' ' A' ' 121' ' ' SER . 2.4 m-20 -130.1 158.62 39.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.419 -178.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.8 p -155.87 154.48 6.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.266 -178.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.501 ' HA ' HD23 ' A' ' 112' ' ' LEU . 59.5 p -155.37 -172.26 4.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.597 0.237 . . . . 0.0 110.536 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.601 ' HG ' ' HB3' ' A' ' 112' ' ' LEU . 25.9 mt -85.2 7.64 21.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.439 0.638 . . . . 0.0 109.286 177.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -110.67 -14.2 14.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.547 -176.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.483 ' HA3' ' O ' ' A' ' 85' ' ' PHE . . . 150.84 -137.6 6.17 Favored Glycine 0 N--CA 1.44 -1.087 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.64 -176.446 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.7 tt -161.62 149.29 4.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 -172.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 34.5 tp -127.9 117.12 21.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.916 0.389 . . . . 0.0 110.126 -177.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.8 m -126.29 -175.03 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.031 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -158.97 154.1 25.19 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.294 -0.955 . . . . 0.0 112.242 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 52.0 tp60 109.79 -30.58 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.094 0 C-N-CA 125.181 1.392 . . . . 0.0 114.718 172.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.408 ' HD3' HG23 ' A' ' 31' ' ' VAL . 74.2 Cg_exo -52.08 110.32 0.43 Allowed 'Trans proline' 0 C--N 1.363 1.325 0 CA-C-N 122.024 1.759 . . . . 0.0 111.567 173.281 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -69.98 -30.44 67.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.327 -171.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -150.24 -179.17 6.98 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.613 ' CZ2' HD13 ' A' ' 83' ' ' LEU . 94.6 m95 -134.75 -79.71 0.45 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.183 0.516 . . . . 0.0 110.69 -177.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -170.96 -67.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.627 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.8 -26.49 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.464 176.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -120.15 106.77 40.43 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-O 120.946 0.403 . . . . 0.0 111.037 -178.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -67.06 -4.51 11.65 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 123.361 2.707 . . . . 0.0 113.094 176.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -83.23 -7.44 59.61 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 176.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -74.59 118.91 73.76 Favored Pre-proline 0 N--CA 1.448 -0.529 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.479 175.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.92 125.26 17.69 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.946 2.43 . . . . 0.0 112.778 -175.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -102.14 131.46 48.62 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 177.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.501 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 46.3 mt-10 -104.56 119.72 39.64 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.479 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -104.59 114.63 28.97 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 176.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.676 HH11 HD21 ' A' ' 23' ' ' LEU . 77.4 mtt85 -115.71 117.81 31.3 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.384 179.312 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.813 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 82.9 mt -99.73 107.3 19.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.119 -177.687 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -83.69 100.08 10.64 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.385 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.1 tp -98.02 -15.05 20.22 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.813 0.816 . . . . 0.0 109.096 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -161.75 -162.6 13.27 Favored Glycine 0 N--CA 1.442 -0.912 0 CA-C-N 114.478 -1.237 . . . . 0.0 110.171 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.6 mp -84.73 -32.67 23.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 117.241 0.521 . . . . 0.0 109.962 178.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -115.97 -11.59 11.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.457 176.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.4 t -86.88 84.38 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.374 0.606 . . . . 0.0 109.441 177.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.671 HD11 ' HB3' ' A' ' 60' ' ' ARG . 61.0 tp -115.11 118.38 33.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.522 -177.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.813 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 62.1 mt -89.43 97.56 7.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 173.509 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -103.18 125.48 49.89 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.271 0.557 . . . . 0.0 110.337 -176.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.5 ptm -137.67 121.86 18.03 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.532 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.532 ' HB3' ' HB3' ' A' ' 89' ' ' HIS . 35.8 tt0 -83.07 123.82 29.86 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 175.572 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.697 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 6.4 pt -132.55 157.05 42.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-O 121.64 0.733 . . . . 0.0 112.014 -170.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.6 t -121.98 124.92 45.16 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.144 -0.934 . . . . 0.0 108.785 176.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.7 tp -64.5 107.59 1.42 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.915 0.388 . . . . 0.0 110.467 -177.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -109.88 -4.79 15.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.422 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -129.86 149.12 51.73 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.848 -178.116 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -162.03 118.72 2.07 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-N 114.396 -1.275 . . . . 0.0 110.502 -176.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 79' ' ' ARG . 3.7 tpt180 -142.89 73.43 1.4 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.033 178.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 56.46 -90.58 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.052 -179.217 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.0 -25.92 18.16 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.268 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 98.7 mt -88.2 135.0 33.64 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.613 HD13 ' CZ2' ' A' ' 49' ' ' TRP . 21.2 mt -135.51 131.82 36.54 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.67 0.271 . . . . 0.0 110.784 -174.262 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -122.42 139.27 12.52 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.434 -0.888 . . . . 0.0 112.269 -176.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.697 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 73.1 m-85 -118.18 144.96 45.3 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 120.795 0.331 . . . . 0.0 110.867 -177.176 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -93.83 130.57 39.81 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 172.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.537 ' HA ' HG22 ' A' ' 73' ' ' ILE . 27.1 p -68.85 126.89 31.18 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.754 0.312 . . . . 0.0 110.235 -179.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -112.89 -29.2 7.46 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.759 -177.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.532 ' HB3' ' HB3' ' A' ' 72' ' ' GLU . 3.6 t-160 -159.93 99.45 1.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.28 179.083 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 46.6 mt -106.22 132.47 53.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 176.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.44 ' O ' HG13 ' A' ' 95' ' ' ILE . 14.5 t70 -75.33 146.15 41.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.481 -178.127 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.28 -38.77 84.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.43 -176.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.36 -39.75 94.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.218 0.532 . . . . 0.0 109.874 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.531 ' HB3' HG23 ' A' ' 69' ' ' ILE . 39.4 m -66.29 -37.97 86.68 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.561 178.116 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 91' ' ' ASP . 74.2 mt -63.37 -44.49 99.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.477 177.136 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 100' ' ' ARG . 44.5 m -62.31 -40.2 95.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.978 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -63.62 -45.29 90.98 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 120.781 0.324 . . . . 0.0 110.428 176.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.406 ' O ' HG23 ' A' ' 102' ' ' VAL . 53.3 tp -59.54 -56.99 14.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.841 -174.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -67.46 -40.48 85.34 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.278 -175.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 96' ' ' SER . 0.0 OUTLIER -61.86 -38.0 86.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.712 0.292 . . . . 0.0 110.636 177.81 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.459 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 43.3 tp -62.68 -53.77 49.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.104 177.097 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.517 HG13 HG21 ' A' ' 14' ' ' ILE . 65.3 t -59.74 -34.13 54.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.178 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -62.45 -52.7 62.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.879 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.9 mp -74.9 -21.8 59.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.896 0.379 . . . . 0.0 110.773 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 101' ' ' LEU . 7.1 t-20 -75.8 -19.85 58.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.456 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 63.72 40.44 7.77 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.824 -178.45 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -92.65 -9.59 61.18 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.74 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.5 t70 72.08 146.12 0.07 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.448 0.699 . . . . 0.0 110.794 -178.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -85.28 -4.34 59.12 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -173.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.576 ' O ' ' HG3' ' A' ' 114' ' ' ARG . 31.2 tt0 -59.97 -41.3 91.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.984 0.421 . . . . 0.0 110.408 -178.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.55 HD11 ' O ' ' A' ' 12' ' ' HIS . 48.2 mt -57.79 -37.76 74.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.024 -179.088 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.601 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . 96.6 mt -74.35 -25.06 59.29 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.517 -176.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -128.87 37.91 4.02 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.25 0.547 . . . . 0.0 111.721 -170.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' A' ' 110' ' ' GLU . 73.5 mtm180 -93.14 -92.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 166.317 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -172.98 166.08 5.06 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 175.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.4 tp -68.31 -43.09 78.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 118.003 0.365 . . . . 0.0 110.075 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.65 -17.56 64.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.02 0.438 . . . . 0.0 110.707 174.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 85.8 mt -97.74 7.16 46.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.415 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.2 mp -119.82 117.87 29.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.342 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.5 t -126.87 141.42 46.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.721 ' HA ' ' OD2' ' A' ' 35' ' ' ASP . 38.9 p -61.47 169.03 2.47 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 123.524 0.515 . . . . 0.0 111.483 -175.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.51 -43.28 2.61 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 123.808 0.693 . . . . 0.0 111.949 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -86.51 85.64 7.31 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 172.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -96.1 -42.28 8.31 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 175.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 20.8 t70 . . . . . 0 C--O 1.246 0.909 0 CA-C-O 118.423 -0.799 . . . . 0.0 109.381 175.708 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 120.725 0.298 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.9 m -124.08 138.71 54.4 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 120.832 0.349 . . . . 0.0 110.984 -177.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.25 -41.31 98.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.334 176.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 72.19 -45.92 0.63 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.054 -0.976 . . . . 0.0 111.217 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -78.04 126.69 31.19 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 175.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -82.96 -8.44 59.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.88 0.371 . . . . 0.0 111.764 -172.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -77.42 69.56 3.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.415 0.626 . . . . 0.0 109.864 177.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -98.8 170.72 8.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.026 -177.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.405 ' HD3' ' HA ' ' A' ' 9' ' ' ARG . 20.2 mmt180 54.2 -112.98 0.75 Allowed 'General case' 0 C--N 1.333 -0.14 0 O-C-N 123.412 0.445 . . . . 0.0 110.342 -171.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? 54.09 37.45 27.0 Favored 'General case' 0 C--N 1.334 -0.104 0 O-C-N 123.512 0.508 . . . . 0.0 111.201 177.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -78.23 74.69 4.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.509 0.671 . . . . 0.0 110.842 -178.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -164.09 100.06 0.86 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.804 -1.089 . . . . 0.0 108.799 177.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.416 ' HB3' ' H ' ' A' ' 14' ' ' ILE . 98.5 mtt180 -76.25 -162.81 0.26 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.776 0.322 . . . . 0.0 110.991 -178.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.497 HG21 HG12 ' A' ' 36' ' ' VAL . 49.6 mm -59.35 110.27 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.581 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 178.71 98.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 O-C-N 124.212 0.945 . . . . 0.0 109.38 175.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -115.35 156.24 25.87 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.05 -179.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -72.75 98.4 2.39 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.947 0.879 . . . . 0.0 110.39 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.57 150.9 49.83 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.267 175.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.543 ' HB3' ' HB2' ' A' ' 62' ' ' TYR . 9.2 t70 -87.29 130.16 34.71 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 177.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.424 ' HB3' HD23 ' A' ' 61' ' ' LEU . 4.1 p -130.92 124.58 31.43 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -172.436 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.557 ' OE2' ' HD3' ' A' ' 28' ' ' ARG . 47.6 mt-10 -109.05 126.36 53.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.743 172.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.593 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 1.8 mp -109.3 110.98 34.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 171.015 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -129.74 147.63 51.54 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.171 0.51 . . . . 0.0 112.133 -171.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.606 HE21 ' HH2' ' A' ' 29' ' ' TRP . 22.3 pt20 -117.22 100.23 7.57 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.493 172.084 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.98 -94.6 0.37 Allowed Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.867 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -109.88 -11.1 14.71 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -174.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 27' ' ' ARG . 8.4 tpp180 -103.47 116.44 32.4 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 -178.461 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.557 ' HD3' ' OE2' ' A' ' 21' ' ' GLU . 10.6 ptp180 -117.15 139.79 50.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.041 0.448 . . . . 0.0 111.648 -175.115 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.606 ' HH2' HE21 ' A' ' 24' ' ' GLN . 28.4 m-90 -117.38 108.01 15.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.577 175.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -71.57 105.29 3.59 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 172.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.806 HG22 ' H ' ' A' ' 32' ' ' LEU . 5.5 p -131.5 -177.77 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.131 -169.299 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.806 ' H ' HG22 ' A' ' 31' ' ' VAL . 95.3 mt -96.72 119.3 34.94 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -174.177 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.447 HD22 HD22 ' A' ' 61' ' ' LEU . 29.4 tp -72.01 146.21 47.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.125 171.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 -133.73 -87.32 0.41 Allowed 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 119.661 -0.209 . . . . 0.0 110.807 177.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -118.51 162.89 17.6 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 -173.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.497 HG12 HG21 ' A' ' 14' ' ' ILE . 14.4 p -163.67 144.3 2.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 121.43 0.634 . . . . 0.0 111.86 -175.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.7 p -125.58 -175.99 3.48 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 173.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.7 mt -84.83 0.81 49.57 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.012 0.434 . . . . 0.0 110.66 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.646 ' ND1' ' HA ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -113.9 -18.63 11.72 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.113 0.483 . . . . 0.0 110.341 -178.752 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.74 159.15 24.05 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.353 -172.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.3 tt -122.41 144.88 30.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 -177.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.649 HD11 ' HB3' ' A' ' 82' ' ' LEU . 49.6 tp -118.74 111.59 18.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.96 0.41 . . . . 0.0 110.473 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.3 m -112.33 163.27 9.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.303 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -108.65 89.97 0.59 Allowed Glycine 0 N--CA 1.441 -0.989 0 C-N-CA 120.29 -0.957 . . . . 0.0 111.2 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -116.57 101.77 53.54 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-O 120.879 0.371 . . . . 0.0 110.844 -175.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -86.32 18.75 1.51 Allowed 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 123.053 2.502 . . . . 0.0 110.901 174.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -104.12 114.59 28.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.795 -177.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -71.19 156.15 39.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.19 0.519 . . . . 0.0 111.108 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -148.57 -167.7 2.89 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.776 177.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.576 HD21 ' HG3' ' A' ' 55' ' ' ARG . 28.1 p-10 -59.93 -37.78 80.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.782 0.325 . . . . 0.0 110.516 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.93 44.59 45.94 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.946 -0.645 . . . . 0.0 113.197 169.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.553 ' HB3' ' HG2' ' A' ' 55' ' ' ARG . 32.6 t70 -112.91 121.05 39.33 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 176.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.581 ' HA ' ' HB3' ' A' ' 75' ' ' LEU . 25.7 Cg_endo -62.4 -15.17 43.46 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.937 2.425 . . . . 0.0 112.963 -176.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -91.31 7.83 39.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.068 0.461 . . . . 0.0 110.513 -178.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.576 ' HG3' HD21 ' A' ' 50' ' ' ASN . 8.5 mmt180 -102.71 109.94 62.11 Favored Pre-proline 0 N--CA 1.449 -0.48 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.501 177.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -57.39 123.0 12.75 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 123.271 2.647 . . . . 0.0 112.503 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.597 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 40.9 m-85 -108.26 134.99 50.33 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.109 0.48 . . . . 0.0 110.033 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.593 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 39.6 mt-10 -103.97 128.43 51.51 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.351 -178.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -105.61 107.3 18.22 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 174.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.603 ' HG2' HD11 ' A' ' 68' ' ' LEU . 15.1 ttp180 -110.52 112.36 24.23 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -177.295 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.973 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 95.7 mt -99.91 123.71 44.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.906 -176.211 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.543 ' HB2' ' HB3' ' A' ' 19' ' ' ASP . 74.2 m-85 -104.46 112.76 25.95 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.989 -178.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 63' ' ' LEU . 4.0 mm? -100.95 -14.98 17.66 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 167.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.71 179.11 46.97 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 176.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 73.4 mt -77.16 -14.78 59.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 117.95 0.875 . . . . 0.0 110.173 175.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -92.56 -50.78 5.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.374 176.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.4 t -90.05 99.75 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.426 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.603 HD11 ' HG2' ' A' ' 60' ' ' ARG . 60.2 tp -116.7 125.25 51.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.33 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.973 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 39.0 mt -100.02 131.61 47.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 175.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -137.08 120.25 16.7 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.004 0.431 . . . . 0.0 111.116 -170.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.7 ptm -145.34 128.97 17.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.026 0.441 . . . . 0.0 110.867 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.512 ' HB3' ' HB3' ' A' ' 89' ' ' HIS . 63.7 tt0 -90.57 130.12 36.64 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.626 177.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.56 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 11.5 pt -133.54 153.48 37.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.37 -173.357 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.436 ' HB2' ' CD ' ' A' ' 88' ' ' GLN . 32.8 t -108.19 145.62 33.97 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.445 177.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.597 ' HB2' ' CE1' ' A' ' 57' ' ' PHE . 57.8 tp -74.01 111.54 9.28 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.516 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -91.51 -53.0 4.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.772 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 56.1 p-90 -153.58 140.75 19.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.094 0.473 . . . . 0.0 111.475 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.547 ' HA ' ' HG ' ' A' ' 83' ' ' LEU . . . -118.42 100.03 7.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.784 176.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -96.64 74.59 2.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.661 -176.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 62.17 -77.91 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.564 -0.743 . . . . 0.0 112.505 178.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -110.2 -22.53 6.47 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.44 -178.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.649 ' HB3' HD11 ' A' ' 42' ' ' LEU . 79.7 mt -106.23 116.73 32.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.755 0.312 . . . . 0.0 110.564 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.547 ' HG ' ' HA ' ' A' ' 78' ' ' ALA . 8.0 mp -111.58 126.72 55.3 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.028 0.442 . . . . 0.0 111.254 -179.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.11 128.97 9.47 Favored Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.45 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.56 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 94.0 m-85 -114.02 149.05 35.98 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.959 0.409 . . . . 0.0 111.514 -176.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -87.37 124.21 33.14 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.723 175.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.502 ' HA ' HG22 ' A' ' 73' ' ' ILE . 87.5 m -78.67 120.98 24.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.881 0.372 . . . . 0.0 110.923 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.436 ' CD ' ' HB2' ' A' ' 74' ' ' SER . 35.9 mt-30 -110.63 -67.29 1.0 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.255 -175.438 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.512 ' HB3' ' HB3' ' A' ' 72' ' ' GLU . 83.6 t60 -116.74 101.04 8.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.568 -175.372 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.484 HD11 ' HB3' ' A' ' 87' ' ' CYS . 44.2 mt -109.63 132.18 58.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.785 179.022 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.524 ' O ' HG13 ' A' ' 95' ' ' ILE . 11.5 t70 -76.32 145.28 39.65 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.115 -179.187 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 98.2 mt -65.54 -42.35 92.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.668 -176.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -63.68 -39.72 95.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.194 0.521 . . . . 0.0 109.75 176.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.466 ' HB3' ' O ' ' A' ' 91' ' ' ASP . 30.2 t -55.57 -48.65 74.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.485 173.2 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 91' ' ' ASP . 73.7 mt -58.57 -44.44 89.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.566 178.141 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 47.6 t -56.36 -45.46 80.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.732 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -63.42 -49.78 72.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 110.605 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.81 -54.8 25.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.953 -173.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -68.34 -36.84 79.85 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.463 -173.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.451 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 36.5 ttp85 -70.56 -29.95 66.54 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.35 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 55.7 tp -64.53 -40.35 95.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.071 0.462 . . . . 0.0 109.972 175.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.826 HG21 HD11 ' A' ' 112' ' ' LEU . 59.2 t -64.97 -41.6 92.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.277 176.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -55.84 -50.42 70.64 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.712 174.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 96.3 mt -60.79 -30.47 70.06 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.898 -178.153 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -91.99 -16.58 26.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.403 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.0 mp 56.24 39.33 30.26 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.444 -176.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -90.28 27.35 8.56 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.648 -0.705 . . . . 0.0 113.305 -175.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.7 t70 70.16 131.13 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 121.293 0.568 . . . . 0.0 112.104 176.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -87.4 -18.96 28.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.603 -178.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -70.34 -19.38 63.06 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.941 -0.303 . . . . 0.0 110.238 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.81 ' HA ' ' HD2' ' A' ' 114' ' ' ARG . 76.2 mt -68.95 -23.78 64.19 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 120.861 0.362 . . . . 0.0 110.372 173.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.826 HD11 HG21 ' A' ' 102' ' ' VAL . 99.5 mt -87.43 -9.89 53.43 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.281 0.562 . . . . 0.0 109.584 174.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -122.93 29.96 6.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.351 -173.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.81 ' HD2' ' HA ' ' A' ' 111' ' ' LEU . 6.2 mtp180 -77.64 -97.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 172.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.646 ' HA ' ' ND1' ' A' ' 39' ' ' HIS . 0.0 OUTLIER 178.05 158.38 0.45 Allowed 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 172.435 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 56.1 tp -58.56 -39.29 79.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 118.238 0.472 . . . . 0.0 110.119 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -74.98 -10.63 59.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.304 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 79.2 mt -104.02 -0.48 28.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.778 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' ' 115' ' ' GLU . 5.4 mp -89.73 104.48 17.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.395 0.617 . . . . 0.0 111.523 -178.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.8 HG12 ' H ' ' A' ' 121' ' ' SER . 2.7 t -95.48 -168.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 173.474 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.8 ' H ' HG12 ' A' ' 120' ' ' VAL . 6.7 p -80.43 171.59 14.86 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 121.871 -0.518 . . . . 0.0 110.428 -179.311 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -50.44 -40.11 49.48 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.949 0.404 . . . . 0.0 111.128 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.48 146.68 27.75 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 170.33 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -107.36 115.39 30.07 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 30.5 t70 . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.337 -0.839 . . . . 0.0 110.177 -176.111 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.437 ' HA ' ' CE ' ' A' ' 1' ' ' MET . 18.8 mmt . . . . . 0 N--CA 1.483 1.201 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m 63.16 23.78 14.07 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.434 0.635 . . . . 0.0 110.308 -177.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -109.09 153.56 23.51 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.734 -176.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -169.86 150.59 3.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.663 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -71.63 143.35 49.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.881 0.372 . . . . 0.0 110.748 -177.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -90.32 -164.8 1.22 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.267 178.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -65.2 138.3 58.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.237 0.541 . . . . 0.0 112.047 -176.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -136.97 -62.34 0.64 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.436 -0.802 . . . . 0.0 108.858 169.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -93.28 131.22 38.61 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 177.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.58 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -80.54 113.67 18.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.176 0.513 . . . . 0.0 110.639 -178.376 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.43 ' HB2' ' O ' ' A' ' 10' ' ' ARG . 32.1 t80 178.23 105.64 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.947 177.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.623 ' HB3' HD11 ' A' ' 111' ' ' LEU . 2.0 t-160 -93.19 106.08 18.08 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 176.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 13' ' ' ARG . 10.8 ptm85 -84.08 118.57 24.17 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.248 0.547 . . . . 0.0 111.871 -172.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 26.7 mm -94.16 91.22 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.294 173.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 34' ' ' HIS . . . -163.01 120.98 1.99 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.285 178.124 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -105.52 159.31 16.04 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -178.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -95.51 30.15 2.36 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.784 0.802 . . . . 0.0 109.511 173.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.51 144.84 41.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.815 175.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -67.89 123.82 21.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.96 0.41 . . . . 0.0 110.358 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.4 t -123.18 130.73 53.15 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.113 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -124.98 122.77 38.28 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.944 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.519 HG13 HG11 ' A' ' 31' ' ' VAL . 53.1 mt -97.01 130.96 44.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 176.631 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.522 ' HB2' ' HB2' ' A' ' 58' ' ' GLU . 17.8 mt -121.85 140.36 52.48 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.469 -172.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.02 80.41 1.7 Allowed 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 167.461 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.68 -98.38 0.24 Allowed Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.955 -175.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -89.04 -22.59 22.88 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.562 0.22 . . . . 0.0 111.409 -178.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -82.7 113.53 20.43 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 120.774 0.321 . . . . 0.0 110.482 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -108.92 126.66 53.31 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.606 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 7.6 m-90 -121.17 121.7 38.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.539 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -81.91 104.96 12.65 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 174.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.519 HG11 HG13 ' A' ' 22' ' ' ILE . 10.9 p -106.92 158.55 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.718 -167.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tt -87.12 110.04 19.85 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 175.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.7 tp -66.57 140.48 57.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.079 -178.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.458 ' O ' ' HA ' ' A' ' 15' ' ' ALA . 47.3 m-70 -127.65 -95.66 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.366 177.192 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.58 ' OD2' ' HA ' ' A' ' 121' ' ' SER . 1.5 m-20 -118.73 148.47 42.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.64 0.257 . . . . 0.0 110.312 -170.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.8 p -140.63 151.72 20.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.717 0.294 . . . . 0.0 111.074 -175.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 77.4 p -142.94 -176.38 4.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.823 176.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 46.1 tp -83.35 -4.91 58.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.512 0.672 . . . . 0.0 109.624 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.623 ' ND1' ' HA ' ' A' ' 115' ' ' GLU . 6.3 m170 -98.45 -17.23 18.88 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-O 121.798 0.809 . . . . 0.0 109.475 -176.595 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.612 ' HA3' ' O ' ' A' ' 85' ' ' PHE . . . 154.72 -150.75 22.39 Favored Glycine 0 N--CA 1.442 -0.915 0 CA-C-N 114.424 -1.262 . . . . 0.0 112.006 -175.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.2 tt -153.8 150.27 12.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.723 0.261 . . . . 0.0 111.063 -173.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.568 HD11 ' HB3' ' A' ' 82' ' ' LEU . 24.8 tp -122.24 123.52 41.65 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.286 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.416 HG21 HD11 ' A' ' 22' ' ' ILE . 35.4 m -128.97 178.57 4.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.841 0.353 . . . . 0.0 111.46 -177.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -120.24 108.42 1.44 Allowed Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 174.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.463 ' OE1' ' HD2' ' A' ' 46' ' ' PRO . 7.5 tp60 -101.48 134.27 20.36 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-O 120.47 0.176 . . . . 0.0 111.423 -171.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.463 ' HD2' ' OE1' ' A' ' 45' ' ' GLN . 53.3 Cg_endo -70.73 172.31 13.83 Favored 'Trans proline' 0 C--O 1.236 0.398 0 C-N-CA 122.666 2.244 . . . . 0.0 111.531 172.29 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -75.44 88.26 2.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.0 0.429 . . . . 0.0 112.087 -176.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -166.33 20.25 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.818 0.818 . . . . 0.0 108.863 171.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 51.0 t-105 -70.07 130.03 41.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.8 -174.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -155.26 144.81 21.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.399 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 134.19 -36.23 2.13 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 121.152 -0.547 . . . . 0.0 111.876 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.763 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 35.8 m-20 62.65 174.14 0.06 OUTLIER Pre-proline 0 N--CA 1.467 0.412 0 C-N-CA 122.734 0.414 . . . . 0.0 111.136 -177.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.763 ' HD2' ' HB3' ' A' ' 52' ' ' ASP . 47.3 Cg_endo -68.75 28.49 0.15 Allowed 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 122.287 1.991 . . . . 0.0 112.795 174.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.491 ' H ' ' C ' ' A' ' 52' ' ' ASP . 43.7 mt-30 -112.91 -17.11 12.57 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.148 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.418 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 10.2 mmt180 -109.88 129.41 23.96 Favored Pre-proline 0 N--CA 1.447 -0.6 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.006 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.62 133.83 60.48 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.867 2.378 . . . . 0.0 111.505 172.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 29.0 m-85 -115.08 145.61 42.15 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.522 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 45.4 mt-10 -118.39 141.52 48.46 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.645 0.26 . . . . 0.0 110.823 -178.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.453 ' HB3' ' CG ' ' A' ' 71' ' ' MET . . . -116.82 113.28 22.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.234 175.37 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -104.59 114.96 29.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.024 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.616 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 86.3 mt -110.08 120.0 41.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.775 0.322 . . . . 0.0 111.181 -177.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -93.64 111.04 22.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.895 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 63' ' ' LEU . 4.0 mm? -112.34 -4.44 14.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.406 0.622 . . . . 0.0 109.777 176.128 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.83 -178.48 48.06 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 178.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.7 mp -72.34 -34.85 68.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.172 0.486 . . . . 0.0 110.137 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -99.77 -29.76 12.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.831 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -84.29 87.44 2.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.194 0.521 . . . . 0.0 110.674 -176.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.2 tp -109.9 120.05 41.27 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.71 177.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.616 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 69.3 mt -105.95 114.06 44.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.188 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 -112.09 149.94 31.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.059 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.453 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 23.1 ptm -150.15 121.99 8.15 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.967 175.226 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.407 ' HB2' ' HB3' ' A' ' 89' ' ' HIS . 43.2 mt-10 -82.67 126.79 32.74 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.59 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 5.8 pt -137.87 177.96 4.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.948 -172.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.416 ' HB2' ' OE1' ' A' ' 88' ' ' GLN . 18.3 t -146.18 160.46 41.93 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 170.21 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.573 ' HB2' ' CE1' ' A' ' 57' ' ' PHE . 11.9 tp -77.56 124.01 27.36 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.111 -0.635 . . . . 0.0 110.835 -175.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -135.12 12.72 3.58 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.217 0.532 . . . . 0.0 110.208 177.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.709 ' HB2' HD21 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -160.22 147.5 16.21 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.365 -176.864 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -162.3 115.32 1.73 Allowed 'General case' 0 C--N 1.292 -1.901 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.638 -178.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.487 ' HB2' ' CZ3' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -136.23 84.33 2.07 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 175.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 50.34 37.38 15.16 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 168.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 127.21 -39.19 1.99 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.617 -0.802 . . . . 0.0 111.545 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.568 ' HB3' HD11 ' A' ' 42' ' ' LEU . 94.6 mt -80.81 113.18 18.83 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 175.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.471 ' O ' ' HA ' ' A' ' 42' ' ' LEU . 83.4 mt -105.38 128.16 53.36 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.255 -177.436 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.521 ' HA3' ' HB3' ' A' ' 77' ' ' TRP . . . -109.75 132.45 11.05 Favored Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 178.358 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.612 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 91.5 m-85 -116.38 139.79 50.04 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 120.782 0.325 . . . . 0.0 110.982 -176.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -87.15 131.91 34.02 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 173.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.58 ' HA ' HG22 ' A' ' 73' ' ' ILE . 28.5 p -75.68 137.86 40.95 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.016 0.436 . . . . 0.0 111.423 -175.255 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.416 ' OE1' ' HB2' ' A' ' 74' ' ' SER . 23.4 mt-30 -109.22 -65.14 1.17 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.173 174.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 72' ' ' GLU . 49.0 t60 -130.13 105.62 8.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.052 -177.397 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 26.4 mt -111.19 112.56 41.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 170.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.432 ' O ' HG13 ' A' ' 95' ' ' ILE . 6.5 m-20 -59.93 141.06 56.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.418 -178.213 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 34.3 tp -60.19 -27.2 66.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.359 0.599 . . . . 0.0 109.829 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.16 -48.69 69.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.223 177.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.54 ' HB2' HG23 ' A' ' 69' ' ' ILE . 9.7 p -70.41 -33.07 70.94 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.524 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 91' ' ' ASP . 81.7 mt -58.44 -49.25 82.83 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 172.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.1 t -56.93 -46.39 82.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.911 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -62.48 -47.08 85.55 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.055 -178.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.453 ' HB2' HD13 ' A' ' 69' ' ' ILE . 51.7 tp -70.57 -44.49 67.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.29 -175.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 30.7 ttp85 -64.98 -43.43 92.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.578 -177.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -70.27 -26.41 63.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.537 -177.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 63.3 tp -61.24 -46.19 91.41 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.212 0.529 . . . . 0.0 109.624 174.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 49.3 t -67.06 -37.77 79.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.288 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -60.29 -53.98 51.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.236 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.89 -24.96 66.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.599 -176.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -95.19 0.0 53.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.243 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 79.5 mt 51.87 41.7 29.59 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.232 0.539 . . . . 0.0 110.865 -178.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -83.62 1.7 88.36 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.755 -176.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 64.69 104.96 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 123.141 0.576 . . . . 0.0 111.18 -178.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -73.4 1.97 8.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.668 -176.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -57.31 -41.9 80.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.811 174.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.623 HD11 ' HB3' ' A' ' 12' ' ' HIS . 74.2 mt -74.76 -8.99 58.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.494 -174.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.497 ' O ' HD23 ' A' ' 112' ' ' LEU . 7.9 tt -86.22 -10.75 54.08 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 177.302 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.417 ' O ' ' HE1' ' A' ' 39' ' ' HIS . 30.5 tt0 -105.26 11.89 32.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.037 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.494 ' HB2' ' CD1' ' A' ' 119' ' ' LEU . 80.7 mtm180 -70.88 130.42 41.59 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 174.181 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.623 ' HA ' ' ND1' ' A' ' 39' ' ' HIS . 7.4 tp10 -62.98 161.07 13.67 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.709 HD21 ' HB2' ' A' ' 77' ' ' TRP . 36.3 tp -57.41 -42.1 81.62 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 118.075 0.398 . . . . 0.0 110.343 175.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.75 -23.21 67.08 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.735 172.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.573 ' HG ' ' HB3' ' A' ' 115' ' ' GLU . 68.9 mt -96.06 -7.08 37.15 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.092 0.472 . . . . 0.0 110.527 178.073 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.494 ' CD1' ' HB2' ' A' ' 114' ' ' ARG . 5.3 tp -89.76 80.39 6.55 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 121.38 0.609 . . . . 0.0 110.412 -169.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 8.9 p -97.39 150.12 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 172.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.58 ' HA ' ' OD2' ' A' ' 35' ' ' ASP . 9.8 t -81.15 165.23 21.74 Favored 'General case' 0 C--N 1.313 -0.985 0 C-N-CA 120.32 -0.552 . . . . 0.0 111.407 -170.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -53.18 -23.52 8.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.537 170.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -77.67 92.22 4.11 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.471 174.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -129.23 108.18 10.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.11 176.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.52 -0.753 . . . . 0.0 110.275 179.334 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.4 ttm . . . . . 0 N--CA 1.483 1.189 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -138.23 87.32 2.23 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 174.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -77.95 61.93 2.65 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.394 0.616 . . . . 0.0 111.697 -174.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -136.75 -94.75 0.23 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.255 -0.884 . . . . 0.0 108.696 175.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -152.02 -63.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 171.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.2 t70 48.46 49.67 17.88 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.055 178.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -71.38 121.42 18.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.321 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.6 mtm180 -110.85 41.52 1.79 Allowed 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 69.2 -71.98 0.11 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 114.508 -1.224 . . . . 0.0 110.815 -174.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 178.2 92.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.436 ' O ' ' HB3' ' A' ' 12' ' ' HIS . 7.5 t80 73.21 -40.98 0.49 Allowed 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.932 0.893 . . . . 0.0 110.746 -176.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.436 ' HB3' ' O ' ' A' ' 11' ' ' PHE . 69.2 t60 77.79 -16.34 0.66 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.557 0.743 . . . . 0.0 111.969 173.139 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.654 ' CZ ' ' H ' ' A' ' 120' ' ' VAL . 23.5 mmt180 -129.44 152.17 49.27 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 -177.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.0 pt -106.21 91.94 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.532 0.682 . . . . 0.0 110.206 173.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.467 ' HA ' HD22 ' A' ' 33' ' ' LEU . . . -128.08 84.38 2.24 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.853 -176.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -77.0 142.52 39.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.607 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -69.74 90.22 0.58 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.621 0.724 . . . . 0.0 111.564 -176.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -131.91 116.03 16.65 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.98 -1.009 . . . . 0.0 108.71 174.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.479 ' O ' ' HD2' ' A' ' 62' ' ' TYR . 64.7 m-20 -56.91 120.78 8.52 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -178.689 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' A' ' 60' ' ' ARG . 23.2 t -107.2 110.08 22.05 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.21 -177.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -96.82 120.3 36.9 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 175.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.455 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 65.9 mt -96.62 113.78 31.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.56 175.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.443 HD22 ' HG2' ' A' ' 28' ' ' ARG . 61.8 mt -99.21 137.65 37.42 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.69 -177.266 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -109.52 37.42 2.63 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 170.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.23 -62.59 4.54 Favored Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.35 -173.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.526 ' HG3' ' HG3' ' A' ' 27' ' ' ARG . 12.7 pt-20 -100.76 -37.63 8.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.645 0.259 . . . . 0.0 111.527 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.526 ' HG3' ' HG3' ' A' ' 26' ' ' GLU . 51.5 mtp85 -88.08 139.44 30.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.629 0.252 . . . . 0.0 111.023 -174.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.443 ' HG2' HD22 ' A' ' 23' ' ' LEU . 98.6 mtt180 -121.65 111.21 16.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.623 -177.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 -110.98 103.47 11.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.309 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -79.17 108.89 13.0 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 174.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.6 p -123.33 159.35 27.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.152 -172.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.2 mp -88.07 141.24 28.73 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.758 177.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.475 HD11 ' HB ' ' A' ' 36' ' ' VAL . 8.7 tt -83.75 131.47 34.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.672 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -103.73 -43.38 5.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.761 0.315 . . . . 0.0 110.791 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -160.09 137.23 9.38 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 175.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.475 ' HB ' HD11 ' A' ' 33' ' ' LEU . 14.7 p -129.07 149.41 33.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.772 0.32 . . . . 0.0 110.3 -175.664 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.8 p -164.98 -168.01 1.34 Allowed 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 120.585 0.231 . . . . 0.0 111.164 -177.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.4 mt -89.94 -15.48 31.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.23 -177.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.9 p-80 -98.09 5.9 48.14 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.004 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.55 -159.91 24.62 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.305 -0.95 . . . . 0.0 112.624 -178.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.9 tt -159.28 149.54 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.634 0.254 . . . . 0.0 110.415 -174.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.427 HD22 ' O ' ' A' ' 119' ' ' LEU . 38.5 tp -116.45 129.54 56.27 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.277 176.154 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.2 m -127.1 170.58 16.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.197 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -132.23 100.11 0.41 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.984 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.431 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 20.4 mt-30 -95.69 147.58 33.23 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-O 120.587 0.232 . . . . 0.0 110.509 -179.349 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 45' ' ' GLN . 24.4 Cg_exo -62.76 -77.03 0.02 OUTLIER 'Trans proline' 0 CA--C 1.533 0.471 0 C-N-CA 123.054 2.503 . . . . 0.0 113.762 -177.344 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -140.67 -40.6 0.41 Allowed 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -174.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -70.11 108.0 3.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.82 0.343 . . . . 0.0 110.845 -175.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -167.56 137.84 2.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.817 -177.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -80.1 -79.88 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 177.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.71 47.25 0.41 Allowed Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.196 -1.002 . . . . 0.0 112.258 175.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.404 ' C ' ' H ' ' A' ' 54' ' ' GLN . 3.4 m-20 -101.51 105.89 42.94 Favored Pre-proline 0 N--CA 1.446 -0.648 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 177.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.567 ' HA ' ' HB3' ' A' ' 75' ' ' LEU . 72.1 Cg_endo -76.2 22.79 0.49 Allowed 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.729 2.286 . . . . 0.0 111.829 -178.432 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.404 ' H ' ' C ' ' A' ' 52' ' ' ASP . 96.6 mt-30 -137.68 11.84 2.94 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 55' ' ' ARG . 9.6 ttm180 -111.48 113.52 53.51 Favored Pre-proline 0 N--CA 1.433 -1.28 0 CA-C-N 114.25 -1.341 . . . . 0.0 110.251 -172.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.73 112.92 1.09 Allowed 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.988 2.459 . . . . 0.0 112.667 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.419 ' O ' HG12 ' A' ' 73' ' ' ILE . 41.4 m-85 -106.47 134.7 49.2 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 177.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 43.0 mt-10 -108.2 114.13 27.79 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.193 -171.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.83 121.98 39.28 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.771 0.32 . . . . 0.0 110.649 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.447 ' O ' ' HA ' ' A' ' 20' ' ' SER . 70.7 mtp180 -111.41 113.4 25.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.25 178.438 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.646 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 97.8 mt -99.83 114.03 26.94 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.081 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.479 ' HD2' ' O ' ' A' ' 19' ' ' ASP . 87.3 m-85 -94.32 103.77 15.77 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.225 -177.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.503 HD23 HD13 ' A' ' 69' ' ' ILE . 4.3 mm? -97.09 -4.17 39.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.899 0.857 . . . . 0.0 108.728 171.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.84 -159.22 25.67 Favored Glycine 0 N--CA 1.441 -0.983 0 N-CA-C 109.771 -1.332 . . . . 0.0 109.771 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.7 tp -101.91 -28.34 12.46 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 176.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -92.43 -17.5 24.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.06 176.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.6 t -105.31 99.81 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.746 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.6 tp -125.59 100.7 6.57 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.747 -175.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.646 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 2.3 mp -84.64 101.78 9.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.084 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -109.64 119.84 40.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.107 0.479 . . . . 0.0 110.609 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.8 ptp -125.66 131.35 52.65 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.317 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.545 ' HB3' ' HB3' ' A' ' 89' ' ' HIS . 34.9 tt0 -97.84 104.26 16.27 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.534 HG22 ' HA ' ' A' ' 87' ' ' CYS . 4.0 pt -110.31 169.95 3.49 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.359 -168.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.2 t -120.04 136.89 54.4 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.629 178.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.567 ' HB3' ' HA ' ' A' ' 53' ' ' PRO . 62.2 tp -68.62 122.37 18.36 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.309 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.487 ' HB2' ' HG3' ' A' ' 86' ' ' GLU . . . -94.72 -56.32 2.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.897 0.38 . . . . 0.0 110.564 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 65.8 p-90 -144.19 147.45 33.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.77 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -130.34 122.91 28.78 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.785 177.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -132.03 103.08 6.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.649 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.3 t70 64.77 -84.45 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.228 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -128.47 -10.33 3.35 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.995 178.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 80.4 mt -85.31 116.2 23.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.932 0.396 . . . . 0.0 110.07 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 41.5 mt -113.58 114.66 26.78 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.206 -175.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -100.57 121.38 7.22 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 121.015 -0.612 . . . . 0.0 111.809 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.438 ' CB ' HD12 ' A' ' 73' ' ' ILE . 81.3 m-85 -113.7 148.52 36.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.73 0.3 . . . . 0.0 110.916 -178.309 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.487 ' HG3' ' HB2' ' A' ' 76' ' ' ALA . 50.6 mt-10 -108.89 150.09 28.19 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.88 174.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.534 ' HA ' HG22 ' A' ' 73' ' ' ILE . 11.7 p -73.91 119.21 17.82 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.999 -177.131 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -105.94 -63.17 1.28 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.295 0.569 . . . . 0.0 110.014 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.545 ' HB3' ' HB3' ' A' ' 72' ' ' GLU . 19.3 t60 -116.68 99.33 7.06 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.539 -0.755 . . . . 0.0 108.975 177.011 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.1 mt -96.72 124.82 49.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.037 -178.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -69.39 143.95 53.52 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.4 mp -60.01 -39.47 85.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.064 0.459 . . . . 0.0 110.582 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -69.24 -34.57 75.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.995 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 48.3 t -60.7 -46.74 89.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.151 176.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 64.4 mt -60.54 -44.81 97.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.363 178.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 100' ' ' ARG . 42.8 t -57.07 -57.78 11.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.342 -178.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -64.74 -33.67 76.51 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -175.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.97 -59.21 5.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.903 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 99' ' ' ARG . 24.5 ttt180 -68.98 -36.71 78.17 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.789 -179.156 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 96' ' ' SER . 0.0 OUTLIER -58.08 -42.81 86.38 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -178.547 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 57.3 tp -68.35 -52.21 35.82 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 121.056 -0.258 . . . . 0.0 110.895 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.641 HG21 HD21 ' A' ' 112' ' ' LEU . 61.0 t -64.7 -36.23 76.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 120.908 0.385 . . . . 0.0 111.723 -176.051 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -69.4 -52.2 29.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.169 -176.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.1 mp -70.38 -27.38 64.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.747 0.308 . . . . 0.0 111.139 -178.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.59 -13.62 60.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.205 0.526 . . . . 0.0 109.596 176.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.427 ' HA ' HD22 ' A' ' 106' ' ' LEU . 0.2 OUTLIER 64.22 43.86 4.68 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.781 -179.819 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -89.11 -2.76 77.13 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 174.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.6 t70 72.55 144.69 0.07 Allowed 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.807 0.843 . . . . 0.0 110.899 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -77.9 -8.06 57.58 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.221 -0.3 . . . . 0.0 110.719 -177.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -54.75 -39.74 68.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.199 0.523 . . . . 0.0 110.13 176.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 89.9 mt -70.78 -23.28 62.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.293 -178.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.641 HD21 HG21 ' A' ' 102' ' ' VAL . 94.8 mt -81.33 -21.71 39.01 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 122.143 -0.348 . . . . 0.0 110.371 178.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -110.48 23.66 13.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.715 -172.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 70.2 mtm180 -77.18 -169.17 1.28 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 173.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.458 ' O ' HD13 ' A' ' 119' ' ' LEU . 7.1 mm-40 -109.92 149.36 30.02 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 175.335 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 61.7 tp -54.25 -34.74 61.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.77 0.319 . . . . 0.0 110.781 175.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.4 -13.73 62.5 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.737 176.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 79.3 mt -96.33 -10.68 27.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.953 0.406 . . . . 0.0 110.533 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.559 ' HA ' ' NH1' ' A' ' 13' ' ' ARG . 9.8 mp -94.01 105.05 17.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.49 0.662 . . . . 0.0 110.277 -178.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.917 HG12 ' H ' ' A' ' 121' ' ' SER . 3.5 t -118.01 -164.17 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 114.743 -1.117 . . . . 0.0 108.957 -176.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.917 ' H ' HG12 ' A' ' 120' ' ' VAL . 72.7 m -90.53 172.22 8.86 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 122.449 0.299 . . . . 0.0 111.226 -177.229 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -47.14 -49.77 21.61 Favored 'General case' 0 C--O 1.233 0.201 0 O-C-N 123.727 0.642 . . . . 0.0 110.594 175.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -82.87 91.82 7.17 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.773 0.797 . . . . 0.0 109.287 170.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -68.77 -43.39 75.86 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.734 -175.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 38.6 t70 . . . . . 0 C--O 1.245 0.836 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.395 177.656 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 120.792 0.33 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 t -94.28 -43.06 8.6 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.386 -177.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -117.52 125.08 50.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.327 -0.397 . . . . 0.0 109.934 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -121.49 101.23 7.49 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.323 0.582 . . . . 0.0 112.279 -175.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -120.89 73.09 1.0 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 169.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -72.54 -3.58 25.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.431 -172.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -49.56 -40.67 39.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.852 0.358 . . . . 0.0 111.425 175.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -101.58 -4.12 27.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.547 -176.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 58.5 mtm180 -93.44 163.19 13.68 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -132.24 -148.8 0.36 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.903 -174.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -73.33 76.26 1.36 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.521 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.426 ' H ' ' CD2' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -72.51 96.71 1.98 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.453 0.644 . . . . 0.0 111.598 178.155 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -132.19 141.27 49.02 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.714 -1.13 . . . . 0.0 108.007 174.251 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.9 mm -82.21 89.12 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.985 0.898 . . . . 0.0 110.687 -175.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' A' ' 34' ' ' HIS . . . -171.03 126.54 0.69 Allowed 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 113.744 -1.571 . . . . 0.0 108.46 176.321 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.469 ' HD2' HD11 ' A' ' 63' ' ' LEU . 1.7 m-85 -94.11 9.35 38.14 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -174.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.8 t70 54.11 81.35 0.1 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.078 -177.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.513 ' HB1' ' O ' ' A' ' 62' ' ' TYR . . . -135.17 174.78 10.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.996 -172.519 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.544 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 8.9 m-20 -81.32 108.95 15.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.643 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.444 ' HB3' HD23 ' A' ' 61' ' ' LEU . 4.0 p -118.44 120.4 37.44 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.076 -177.281 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -115.68 136.53 52.97 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.066 178.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.528 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 84.9 mt -103.33 118.89 51.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 173.388 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.632 HD22 ' HG2' ' A' ' 28' ' ' ARG . 24.4 mt -99.05 113.61 25.89 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.476 -177.094 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -93.07 79.94 4.55 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 173.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.91 -72.02 1.1 Allowed Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.045 -176.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -132.49 -20.11 2.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.822 0.344 . . . . 0.0 111.151 -177.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -91.13 129.64 37.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.153 0.501 . . . . 0.0 110.017 -176.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.632 ' HG2' HD22 ' A' ' 23' ' ' LEU . 24.7 mtt85 -109.4 121.76 45.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.223 -169.254 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 7.6 m-90 -108.4 123.34 48.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.761 176.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -80.37 103.2 10.07 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 174.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.809 HG23 ' HB2' ' A' ' 45' ' ' GLN . 7.1 p -105.69 161.04 5.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.194 -174.272 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 32' ' ' LEU . 6.2 mp -97.41 115.45 27.76 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.458 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 64.5 tp -60.29 138.54 57.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.028 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.668 ' HB2' ' HA ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -127.67 -79.15 0.58 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.083 -170.915 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.412 ' CG ' ' HA ' ' A' ' 121' ' ' SER . 5.7 m-20 -143.86 110.94 5.74 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -173.532 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.411 HG23 ' HB ' ' A' ' 41' ' ' ILE . 9.6 p -120.87 147.51 24.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.045 0.45 . . . . 0.0 112.077 -172.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.1 p -131.43 -179.32 5.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.645 176.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 61.2 mt -81.71 -1.35 46.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.287 0.565 . . . . 0.0 110.182 177.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.59 ' ND1' ' HA ' ' A' ' 115' ' ' GLU . 2.4 m170 -107.82 -16.03 14.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.684 0.754 . . . . 0.0 109.911 -173.648 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.483 ' HA2' ' SG ' ' A' ' 87' ' ' CYS . . . 165.93 165.55 23.47 Favored Glycine 0 N--CA 1.443 -0.866 0 CA-C-N 114.614 -1.175 . . . . 0.0 111.523 -171.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.411 ' HB ' HG23 ' A' ' 36' ' ' VAL . 11.1 tt -125.87 128.2 71.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.055 0.455 . . . . 0.0 111.039 -175.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.692 HD11 ' HB3' ' A' ' 82' ' ' LEU . 65.6 tp -104.13 121.17 42.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.391 175.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.668 ' HA ' ' HB2' ' A' ' 34' ' ' HIS . 15.7 m -124.76 170.57 14.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.584 178.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -128.57 124.81 4.79 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 111.126 -0.789 . . . . 0.0 111.126 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.809 ' HB2' HG23 ' A' ' 31' ' ' VAL . 27.4 tt0 -138.82 98.69 8.58 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 116.95 0.375 . . . . 0.0 111.052 -178.31 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -80.6 47.35 2.53 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.904 2.403 . . . . 0.0 111.477 175.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -129.42 171.62 12.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.76 -177.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.19 122.72 22.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.161 0.505 . . . . 0.0 110.113 177.344 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -127.66 146.86 50.41 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.212 -171.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -84.47 -78.49 0.24 Allowed 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.61 25.72 24.74 Favored Glycine 0 CA--C 1.5 -0.846 0 C-N-CA 119.925 -1.131 . . . . 0.0 112.044 171.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.482 ' OD1' ' HB2' ' A' ' 54' ' ' GLN . 31.2 t70 -72.63 112.42 15.01 Favored Pre-proline 0 C--N 1.319 -0.745 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 176.105 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.31 12.3 1.08 Allowed 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.584 2.19 . . . . 0.0 112.463 -174.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.482 ' HB2' ' OD1' ' A' ' 52' ' ' ASP . 81.4 mm-40 -100.89 -5.83 25.54 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 173.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.482 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 15.5 mmt180 -110.47 107.11 58.3 Favored Pre-proline 0 N--CA 1.448 -0.558 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.038 178.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 55' ' ' ARG . 17.3 Cg_endo -58.84 134.86 63.08 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.701 2.268 . . . . 0.0 111.54 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -104.57 135.96 45.02 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.147 0.499 . . . . 0.0 110.739 -175.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.538 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 59.9 mm-40 -107.24 127.57 53.65 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.202 178.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.89 107.95 20.55 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 175.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -107.48 105.27 15.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.832 -178.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.712 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 61.8 mt -104.4 115.09 29.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.413 -175.038 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.544 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 87.5 m-85 -93.24 110.56 22.08 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.613 176.106 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.469 HD11 ' HD2' ' A' ' 16' ' ' PHE . 4.4 mm? -100.26 -19.97 16.12 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.352 0.596 . . . . 0.0 109.793 174.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -158.59 -158.62 9.14 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.963 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -81.21 -39.34 25.56 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -108.78 -21.81 12.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.373 . . . . 0.0 110.392 177.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.4 t -75.47 95.0 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.37 -177.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 61' ' ' LEU . 42.1 tp -117.61 130.45 56.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.218 -178.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.712 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 59.7 mt -110.12 114.01 45.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -120.71 139.79 52.56 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.918 0.39 . . . . 0.0 110.626 -176.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.3 ptp -147.67 136.14 21.67 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.157 177.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.496 ' HB3' ' HB3' ' A' ' 89' ' ' HIS . 30.4 tt0 -80.74 112.74 18.4 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 175.26 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.611 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 17.5 pt -121.45 145.67 27.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.341 0.591 . . . . 0.0 111.617 -175.021 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.6 t -112.3 136.98 51.08 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.521 -0.763 . . . . 0.0 108.979 176.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 37.1 tp -71.36 111.9 7.06 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.97 0.414 . . . . 0.0 110.927 -176.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -92.06 -46.57 7.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.058 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 -157.75 148.15 20.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.888 0.375 . . . . 0.0 111.084 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -142.81 121.65 12.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.558 175.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -145.64 139.9 26.95 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.048 -176.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.6 t70 66.91 -89.6 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.827 0.705 . . . . 0.0 110.927 178.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -143.28 7.23 2.04 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 175.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.692 ' HB3' HD11 ' A' ' 42' ' ' LEU . 96.8 mt -111.4 132.47 54.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.49 -0.355 . . . . 0.0 110.315 -176.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.9 mp -120.35 124.03 44.55 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.341 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.87 111.27 3.48 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 121.105 -0.569 . . . . 0.0 111.798 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.611 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 77.8 m-85 -102.31 146.48 27.97 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -96.7 133.21 41.52 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.483 ' SG ' ' HA2' ' A' ' 40' ' ' GLY . 83.0 m -86.62 113.34 22.42 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.327 -176.259 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -92.91 -61.09 1.65 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.721 0.296 . . . . 0.0 110.848 176.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.496 ' HB3' ' HB3' ' A' ' 72' ' ' GLU . 22.1 t60 -116.62 100.78 8.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.88 0.372 . . . . 0.0 110.575 -176.026 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 21.3 mt -101.66 128.09 54.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 175.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.475 ' O ' HG13 ' A' ' 95' ' ' ILE . 9.1 t70 -67.79 137.69 55.58 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -178.001 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.82 -30.65 70.97 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.118 0.261 . . . . 0.0 111.35 -177.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -67.16 -43.02 83.32 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 175.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.56 ' HB3' HG23 ' A' ' 69' ' ' ILE . 51.5 m -67.34 -38.84 85.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.934 178.354 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 91' ' ' ASP . 78.5 mt -58.66 -45.6 90.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 121.026 0.441 . . . . 0.0 110.021 174.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.9 m -62.24 -40.65 96.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.742 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -60.42 -51.17 70.62 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.839 0.352 . . . . 0.0 110.189 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -57.65 -58.96 6.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.718 -177.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -60.52 -49.02 79.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.76 -175.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.403 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 96.8 mtt180 -67.6 -40.54 84.73 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -175.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 44.8 tp -62.82 -42.94 99.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.884 0.373 . . . . 0.0 110.839 -177.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 54.5 t -71.37 -39.88 72.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.607 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -67.7 -39.69 84.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.143 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 77.5 mt -60.15 -33.6 72.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.85 0.357 . . . . 0.0 111.14 177.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -87.07 -30.08 21.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.07 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.13 32.74 19.61 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.421 0.629 . . . . 0.0 109.832 -177.334 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -81.57 52.68 4.59 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.631 -177.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 58.76 80.98 0.17 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.552 0.691 . . . . 0.0 111.499 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.25 2.68 42.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.801 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -67.68 -19.24 65.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.523 0.678 . . . . 0.0 110.314 177.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.464 HD22 HH21 ' A' ' 114' ' ' ARG . 61.2 mt -71.41 -35.43 71.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.606 -0.724 . . . . 0.0 112.044 -175.08 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.0 pp -87.1 5.17 39.04 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -170.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -115.16 21.4 14.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.163 0.506 . . . . 0.0 111.274 -177.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.489 ' HB2' HD12 ' A' ' 119' ' ' LEU . 34.6 mtt180 -79.96 -91.37 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 174.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.59 ' HA ' ' ND1' ' A' ' 39' ' ' HIS . 9.0 tp10 -179.84 161.05 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 178.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 61.6 tp -54.6 -50.58 67.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 118.132 0.424 . . . . 0.0 110.572 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.22 -4.0 36.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.992 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.2 mt -104.06 -7.83 19.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.677 0.275 . . . . 0.0 110.996 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.489 HD12 ' HB2' ' A' ' 114' ' ' ARG . 3.9 mp -92.63 116.59 29.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.219 0.533 . . . . 0.0 110.674 179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.3 p -107.8 136.14 44.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 115.414 -0.812 . . . . 0.0 108.864 176.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.412 ' HA ' ' CG ' ' A' ' 35' ' ' ASP . 56.7 p -65.21 171.67 3.6 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.252 -173.467 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -46.71 -33.28 4.19 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.083 172.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -86.51 98.8 11.26 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 169.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -104.29 134.03 48.2 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.347 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.664 -0.684 . . . . 0.0 109.852 178.984 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.476 ' HG3' ' H ' ' A' ' 3' ' ' ASP . 47.7 tpp . . . . . 0 N--CA 1.478 0.929 0 CA-C-O 120.796 0.331 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.4 p -80.23 27.54 0.33 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.228 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.476 ' H ' ' HG3' ' A' ' 1' ' ' MET . 9.9 t70 -162.32 -168.95 1.99 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -177.583 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -113.17 -64.72 1.27 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -168.81 125.35 0.97 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.295 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -75.99 -35.67 59.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.967 0.413 . . . . 0.0 110.268 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -80.82 124.39 29.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.982 178.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.5 mtm180 -104.39 0.2 28.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.3 178.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 75.38 114.9 0.06 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.757 170.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.7 ttm-85 -143.28 125.47 15.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.942 176.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -78.33 176.65 9.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.145 0.498 . . . . 0.0 111.539 -175.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.471 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 44.9 m80 -122.85 134.41 54.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.745 -178.004 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.526 ' HD2' ' HA2' ' A' ' 107' ' ' GLY . 14.7 mmt180 -75.79 -61.17 2.02 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 169.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.553 HG22 ' H ' ' A' ' 15' ' ' ALA . 26.5 mm -94.1 169.84 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.008 -0.996 . . . . 0.0 108.921 176.121 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.59 ' HA ' HD23 ' A' ' 33' ' ' LEU . . . 81.07 -43.04 0.18 Allowed 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.027 0.931 . . . . 0.0 110.488 -177.393 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 61.05 13.74 4.86 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.286 173.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 57.37 27.87 14.47 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.229 0.537 . . . . 0.0 110.56 -174.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.42 175.4 8.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.163 178.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.555 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 69.7 m-20 -95.76 127.53 41.87 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.232 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.2 p -127.88 133.32 49.31 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.246 -177.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -122.42 150.9 41.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.33 176.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.481 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 66.6 mt -114.18 129.7 69.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 172.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.528 HD11 ' HD2' ' A' ' 60' ' ' ARG . 63.8 mt -113.28 152.93 29.24 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.366 -174.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -147.03 92.33 2.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.297 -0.865 . . . . 0.0 108.883 171.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.15 -93.94 0.44 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.283 -174.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.58 2.29 10.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.845 0.355 . . . . 0.0 110.606 174.097 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -75.58 140.06 42.44 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 172.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.2 ptt-85 -146.18 119.22 8.79 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.025 0.44 . . . . 0.0 111.504 -177.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.497 ' HH2' ' HB2' ' A' ' 50' ' ' ASN . 29.9 m-90 -114.97 115.34 26.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.942 178.2 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -73.9 104.73 4.88 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 171.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.67 HG21 ' HG2' ' A' ' 45' ' ' GLN . 8.2 p -115.37 168.65 6.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.539 -167.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.478 ' H ' HG22 ' A' ' 31' ' ' VAL . 45.1 tp -90.32 111.53 22.78 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.21 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.59 HD23 ' HA ' ' A' ' 15' ' ' ALA . 45.3 tp -74.5 148.01 41.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.987 175.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -124.1 -80.53 0.62 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.808 0.337 . . . . 0.0 111.212 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.523 ' OD2' ' HA ' ' A' ' 121' ' ' SER . 5.4 m-20 -134.09 165.4 25.15 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -173.059 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.512 HG12 ' CG2' ' A' ' 14' ' ' ILE . 7.6 p -160.35 153.71 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.188 0.518 . . . . 0.0 111.577 -176.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.525 ' HA ' ' HA ' ' A' ' 112' ' ' LEU . 70.1 p -138.7 -178.9 5.52 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 172.146 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 69.5 mt -83.64 3.94 30.67 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.426 0.632 . . . . 0.0 109.621 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.559 ' ND1' ' HA ' ' A' ' 115' ' ' GLU . 1.6 m170 -117.21 -10.29 10.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.054 -174.145 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 168.11 156.16 9.99 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.405 -174.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.454 ' CG2' ' HB2' ' A' ' 85' ' ' PHE . 11.8 tt -122.19 145.26 29.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.592 0.234 . . . . 0.0 110.389 -178.139 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.8 HD11 ' HB3' ' A' ' 82' ' ' LEU . 47.2 tp -121.64 117.16 26.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.396 -177.113 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.7 m -120.19 171.09 9.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.738 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -121.94 113.56 2.29 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.221 177.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.67 ' HG2' HG21 ' A' ' 31' ' ' VAL . 21.5 mt-30 -113.3 145.88 34.15 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-O 120.441 0.162 . . . . 0.0 110.652 -176.381 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -62.56 -59.28 0.26 Allowed 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 122.622 2.215 . . . . 0.0 112.429 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 179.12 -41.38 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.239 -179.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -58.72 130.58 47.58 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.907 0.384 . . . . 0.0 111.344 -176.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.459 ' HE3' ' H ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -141.35 -179.6 6.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.986 -179.217 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.497 ' HB2' ' HH2' ' A' ' 29' ' ' TRP . 8.5 t30 -86.53 -60.32 2.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.332 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.99 -66.3 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 119.665 -1.255 . . . . 0.0 113.718 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.461 ' OD2' ' HB2' ' A' ' 54' ' ' GLN . 23.7 t70 -137.72 135.73 19.33 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-O 120.965 0.412 . . . . 0.0 111.87 -169.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 52' ' ' ASP . 35.6 Cg_exo -56.98 -18.64 29.01 Favored 'Trans proline' 0 CA--C 1.536 0.607 0 C-N-CA 124.58 3.52 . . . . 0.0 115.425 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.461 ' HB2' ' OD2' ' A' ' 52' ' ' ASP . 1.8 mp0 -85.01 8.93 16.07 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.562 0.696 . . . . 0.0 110.426 -174.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -94.99 141.42 23.23 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.22 178.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -70.73 104.53 1.49 Allowed 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.762 2.308 . . . . 0.0 112.519 -178.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -95.82 150.57 20.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.645 179.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.481 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 27.2 mt-10 -115.54 136.17 53.35 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 120.867 0.365 . . . . 0.0 111.647 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.423 ' HB3' ' CG ' ' A' ' 71' ' ' MET . . . -99.5 112.55 24.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.47 173.533 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.528 ' HD2' HD11 ' A' ' 23' ' ' LEU . 18.2 ttt180 -106.47 105.33 15.32 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.4 -176.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.663 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 67.9 mt -103.53 119.83 39.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.996 0.427 . . . . 0.0 110.977 -175.468 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.555 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 84.2 m-85 -94.03 104.84 16.87 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.026 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.8 tp -98.09 -14.76 20.29 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 173.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -165.0 -167.57 25.8 Favored Glycine 0 N--CA 1.44 -1.053 0 CA-C-N 113.753 -1.567 . . . . 0.0 109.196 174.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 65.4 mt -86.24 -29.31 23.23 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 117.697 0.749 . . . . 0.0 110.462 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -113.39 -9.04 13.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.343 175.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.9 t -93.25 88.11 2.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.441 HD11 ' CG ' ' A' ' 60' ' ' ARG . 50.7 tp -112.53 120.21 40.83 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.966 -175.393 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.663 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 25.6 mt -98.89 106.67 19.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 174.175 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.64 147.65 42.69 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.79 -178.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.423 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 19.2 ptm -149.11 134.55 18.5 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.435 -179.132 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -90.6 118.13 29.8 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.532 HG22 ' HA ' ' A' ' 87' ' ' CYS . 8.7 pt -128.41 156.95 40.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.232 0.539 . . . . 0.0 111.947 -170.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.4 p -119.46 115.85 24.91 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.481 178.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 55.6 tp -58.18 120.3 8.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.09 0.471 . . . . 0.0 111.039 -177.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -97.79 -57.21 2.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.011 -177.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 -140.96 149.78 42.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.014 0.435 . . . . 0.0 111.319 -176.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -134.15 114.71 13.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.708 176.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -127.35 120.88 29.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.759 0.314 . . . . 0.0 111.261 -176.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.5 t70 65.96 -87.01 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.092 177.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -138.08 2.65 2.97 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.778 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.8 ' HB3' HD11 ' A' ' 42' ' ' LEU . 93.8 mt -109.45 127.24 54.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.878 0.371 . . . . 0.0 110.137 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.7 mp -117.23 129.09 55.7 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.706 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -104.76 121.51 6.97 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.121 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.519 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 34.6 m-85 -107.14 139.26 41.85 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.963 0.411 . . . . 0.0 110.38 -179.306 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -83.53 132.8 34.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.596 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.816 ' HB3' HD11 ' A' ' 90' ' ' ILE . 75.7 m -82.97 111.11 18.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.327 -176.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -90.96 -66.2 0.95 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.241 178.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -126.89 115.38 19.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.545 -175.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.816 HD11 ' HB3' ' A' ' 87' ' ' CYS . 3.6 mp -117.59 122.78 70.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 171.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.462 ' O ' HG13 ' A' ' 95' ' ' ILE . 10.9 m-20 -69.35 156.75 38.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.754 0.311 . . . . 0.0 111.436 -173.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 71.5 mt -56.51 -54.03 50.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.234 -171.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -69.6 -29.45 66.97 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 -179.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.9 t -64.78 -44.63 89.37 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 91' ' ' ASP . 75.5 mt -57.84 -48.68 83.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.317 176.106 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.7 t -63.66 -38.12 89.93 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.711 -178.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -57.49 -53.99 51.95 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.917 0.389 . . . . 0.0 110.639 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.427 ' O ' HG23 ' A' ' 102' ' ' VAL . 2.1 tm? -63.5 -46.95 83.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.08 -178.29 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 99' ' ' ARG . 10.9 ttp180 -57.12 -51.81 67.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.411 -179.236 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.46 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 18.0 tpp85 -64.01 -34.17 77.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.786 -177.303 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 49.7 tp -65.49 -39.24 91.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.346 177.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.522 HG21 HD11 ' A' ' 112' ' ' LEU . 80.8 t -64.92 -36.62 78.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.643 177.27 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -63.98 -42.43 97.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.854 178.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 91.8 mt -68.49 -41.41 80.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.508 -177.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -93.66 -2.74 53.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.875 -175.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.7 mp 56.08 50.42 13.72 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.145 0.498 . . . . 0.0 110.15 -175.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.526 ' HA2' ' HD2' ' A' ' 13' ' ' ARG . . . -71.34 5.05 10.55 Favored Glycine 0 CA--C 1.522 0.472 0 CA-C-N 115.391 -0.822 . . . . 0.0 113.89 -176.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 71.32 108.23 0.06 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.534 0.683 . . . . 0.0 112.45 176.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -61.42 -21.96 64.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.85 175.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.605 ' O ' ' HG3' ' A' ' 114' ' ' ARG . 52.7 mt-10 -53.58 -44.58 69.46 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.779 177.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 46.5 mt -66.96 -41.83 86.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.724 -178.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.525 ' HA ' ' HA ' ' A' ' 37' ' ' SER . 93.0 mt -68.55 -27.42 66.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.866 -0.607 . . . . 0.0 112.186 -173.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -114.51 22.96 13.17 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.878 0.695 . . . . 0.0 112.878 -170.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.605 ' HG3' ' O ' ' A' ' 110' ' ' GLU . 58.3 mtm180 -84.6 -94.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 119.951 -0.699 . . . . 0.0 109.517 171.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.559 ' HA ' ' ND1' ' A' ' 39' ' ' HIS . 0.8 OUTLIER -178.47 165.99 1.78 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 174.458 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.45 ' H ' ' CD ' ' A' ' 115' ' ' GLU . 52.7 tp -64.63 -41.72 95.97 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 175.077 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.91 -10.59 59.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 177.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.51 HD12 ' HB2' ' A' ' 115' ' ' GLU . 95.3 mt -106.38 3.47 27.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.422 178.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 119' ' ' LEU . 4.7 tp -95.32 120.37 35.44 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.305 0.574 . . . . 0.0 111.47 -171.468 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 39.0 t -107.46 149.81 10.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 176.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.523 ' HA ' ' OD2' ' A' ' 35' ' ' ASP . 8.3 t -74.9 168.88 19.06 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.18 -178.51 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -44.58 -38.61 4.35 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.875 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -92.63 90.56 7.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.752 0.787 . . . . 0.0 109.754 175.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -77.82 122.97 26.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.776 178.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 34.7 t70 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.672 -0.68 . . . . 0.0 110.449 -173.759 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.477 0.888 0 CA-C-O 121.323 0.582 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.2 m -141.74 22.43 2.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.558 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -173.8 -28.74 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.451 -175.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -66.14 102.68 0.85 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.693 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -139.58 159.59 41.81 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -178.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -50.96 -44.2 60.55 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.438 0.637 . . . . 0.0 109.99 177.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -74.7 109.11 7.9 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.315 172.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -106.75 -59.85 1.75 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.217 -179.072 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.467 ' NH2' ' HB3' ' A' ' 106' ' ' LEU . 18.0 mmt180 -136.05 101.51 4.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.69 178.068 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -93.54 9.77 35.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.212 0.53 . . . . 0.0 110.978 -177.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -146.07 106.2 4.03 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.26 177.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -104.33 54.93 0.72 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.182 0.515 . . . . 0.0 111.259 -174.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.738 ' HA ' HD11 ' A' ' 111' ' ' LEU . 36.7 mtt85 -144.85 136.76 25.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.522 178.05 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.541 HG12 HD13 ' A' ' 111' ' ' LEU . 7.3 pt -95.17 89.13 2.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.572 0.701 . . . . 0.0 110.96 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.68 86.77 2.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.226 175.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -88.74 154.34 20.36 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.914 -176.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -78.49 93.04 4.71 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.69 0.757 . . . . 0.0 110.912 -178.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.46 167.87 20.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.81 177.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -101.01 133.26 45.77 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 177.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.5 t -131.04 121.48 25.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.027 0.441 . . . . 0.0 111.698 -174.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -111.8 137.75 49.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.322 174.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.0 mt -110.61 122.02 64.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 170.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 mt -114.18 175.93 5.26 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.71 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.56 40.36 0.51 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.625 0.726 . . . . 0.0 110.144 171.638 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.99 -42.41 3.15 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.386 -0.824 . . . . 0.0 113.282 -178.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -118.25 -48.35 2.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 117.614 0.707 . . . . 0.0 111.035 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 64.8 mtt-85 -82.84 149.9 26.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.767 179.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.425 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 6.9 ptp180 -140.98 131.71 25.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.215 171.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 48.8 p90 -143.05 133.99 25.52 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.988 0.423 . . . . 0.0 111.119 175.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -86.0 130.59 34.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.789 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.3 p -133.78 155.08 39.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -173.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 32' ' ' LEU . 5.5 mp -91.23 142.18 28.0 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.974 0.416 . . . . 0.0 111.151 -177.339 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 64.0 tp -75.2 145.98 41.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.265 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -129.98 -48.69 1.12 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.641 0.258 . . . . 0.0 110.561 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -158.43 165.46 34.6 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 108.401 -0.962 . . . . 0.0 108.401 175.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.1 p -162.96 139.07 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.3 0.572 . . . . 0.0 111.734 -175.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.7 p -119.89 -172.89 2.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.959 177.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.404 ' HB2' ' HB3' ' A' ' 112' ' ' LEU . 3.9 tt -85.62 1.36 49.5 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.763 0.792 . . . . 0.0 109.05 173.6 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.689 ' CE1' ' HA ' ' A' ' 115' ' ' GLU . 2.1 m170 -101.34 -47.36 4.72 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 -175.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 85' ' ' PHE . . . -165.76 -168.67 28.28 Favored Glycine 0 N--CA 1.44 -1.09 0 CA-C-N 114.746 -1.116 . . . . 0.0 111.472 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.1 tt -127.79 146.19 33.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.601 0.2 . . . . 0.0 110.833 -175.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 50.3 tp -116.26 121.34 41.73 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.814 0.34 . . . . 0.0 110.282 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.9 m -129.43 170.09 19.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.243 -177.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -114.59 111.31 2.52 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 176.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.485 ' HB3' HD13 ' A' ' 83' ' ' LEU . 8.4 tt0 -123.88 113.59 28.41 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-O 120.734 0.302 . . . . 0.0 111.254 -171.594 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -88.2 29.89 0.45 Allowed 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 123.079 2.519 . . . . 0.0 112.271 177.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.789 ' HG2' ' H ' ' A' ' 48' ' ' ASP . 5.3 tt0 -109.78 -164.22 0.92 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.771 -176.508 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.789 ' H ' ' HG2' ' A' ' 47' ' ' GLN . 13.5 t70 -135.04 179.7 6.15 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -113.7 173.21 6.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.199 0.524 . . . . 0.0 111.938 -174.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -82.88 -72.53 0.44 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.181 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -143.12 -59.34 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.056 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -135.15 150.75 73.73 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-O 120.674 0.273 . . . . 0.0 111.288 -178.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.428 ' HB3' ' HB3' ' A' ' 75' ' ' LEU . 78.4 Cg_endo -79.06 17.49 1.18 Allowed 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 123.081 2.521 . . . . 0.0 111.685 174.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -90.92 2.21 56.4 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.963 0.887 . . . . 0.0 108.799 178.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.459 ' HD3' ' HA ' ' A' ' 55' ' ' ARG . 24.8 mmt85 -105.2 123.22 40.4 Favored Pre-proline 0 N--CA 1.442 -0.84 0 CA-C-N 114.566 -1.197 . . . . 0.0 109.601 176.556 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -45.97 128.14 11.15 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 124.05 3.167 . . . . 0.0 114.199 -174.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -106.21 136.64 45.57 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 173.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -120.09 112.51 19.21 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.972 -0.455 . . . . 0.0 111.516 -174.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.32 121.14 38.87 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.771 0.319 . . . . 0.0 110.621 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -111.59 119.95 40.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.152 177.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.763 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 96.1 mt -99.81 111.58 23.9 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.666 177.083 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.414 ' CE1' HD11 ' A' ' 68' ' ' LEU . 72.9 m-85 -88.52 102.81 15.29 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.712 -178.321 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.41 -7.76 30.98 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 174.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.91 -176.89 48.2 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.808 178.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.2 mt -78.85 -20.07 50.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.175 0.512 . . . . 0.0 110.223 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.7 -37.84 8.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.717 177.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.9 t -84.8 91.78 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.994 -176.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.414 HD11 ' CE1' ' A' ' 62' ' ' TYR . 3.6 mm? -104.65 107.79 18.91 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.197 176.492 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.763 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 57.0 mt -93.98 92.62 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 177.632 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.539 ' O ' ' HD3' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -102.34 127.25 49.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.18 0.514 . . . . 0.0 110.699 -178.331 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.0 ptm -125.64 125.41 43.07 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.109 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -83.97 119.3 24.74 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.695 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.662 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 10.8 pt -130.27 161.09 40.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.398 0.618 . . . . 0.0 111.971 -170.686 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.3 p -130.94 137.86 49.48 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 171.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.453 HD11 ' HB3' ' A' ' 83' ' ' LEU . 7.4 tp -67.75 110.92 3.98 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.062 0.458 . . . . 0.0 110.799 -176.267 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -113.99 -8.28 13.08 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.597 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.583 ' HB2' HD21 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -132.57 149.0 52.38 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-O 121.616 0.722 . . . . 0.0 110.16 -177.104 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -162.27 116.18 1.81 Allowed 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 114.17 -1.377 . . . . 0.0 110.002 -179.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.548 ' HB2' ' CZ3' ' A' ' 77' ' ' TRP . 1.7 tpm_? -135.85 74.16 1.49 Allowed 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.813 -177.254 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.6 t70 66.41 -83.28 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.004 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -116.99 -9.62 10.58 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.009 -0.615 . . . . 0.0 111.792 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.527 HD13 ' HB2' ' A' ' 121' ' ' SER . 44.8 mt -105.1 113.17 26.6 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.481 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.485 HD13 ' HB3' ' A' ' 45' ' ' GLN . 4.9 mp -121.19 144.74 48.43 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.996 -174.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.467 ' H ' ' HB3' ' A' ' 77' ' ' TRP . . . -121.54 142.29 15.18 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.89 -177.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.662 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 61.8 m-85 -118.31 129.35 55.4 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 -178.006 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -82.53 129.21 34.88 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 175.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.808 ' SG ' HG12 ' A' ' 90' ' ' ILE . 18.1 t -84.4 124.11 30.95 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.244 0.545 . . . . 0.0 110.987 -173.482 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -88.32 -49.04 7.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.009 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -129.19 115.4 17.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.75 -177.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.808 HG12 ' SG ' ' A' ' 87' ' ' CYS . 0.6 OUTLIER -113.63 115.89 51.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 173.887 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.483 ' HB2' ' OG ' ' A' ' 94' ' ' SER . 22.2 m-20 -69.08 148.28 50.25 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.076 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.43 -38.98 91.83 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.042 -174.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -65.36 -38.9 91.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.089 178.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.483 ' OG ' ' HB2' ' A' ' 91' ' ' ASP . 2.3 m -58.41 -49.9 75.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.26 176.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 62.2 mt -61.33 -39.06 81.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.805 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.42 ' O ' ' HG3' ' A' ' 100' ' ' ARG . 26.4 m -64.14 -40.77 96.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.849 -179.643 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -60.34 -43.97 95.95 Favored 'General case' 0 CA--C 1.521 -0.157 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 176.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.11 -53.77 53.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 178.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -58.43 -45.01 89.34 Favored 'General case' 0 C--O 1.223 -0.294 0 C-N-CA 121.024 -0.27 . . . . 0.0 111.417 -178.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' A' ' 96' ' ' SER . 44.3 mtp180 -64.39 -42.8 95.93 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.072 -178.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 43.1 tp -62.54 -42.81 99.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.907 0.384 . . . . 0.0 110.609 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.22 -38.44 77.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.006 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -68.92 -44.38 73.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.18 -178.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.7 mp -63.14 -38.23 90.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.904 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -81.79 -19.09 41.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.581 176.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.467 ' HB3' ' NH2' ' A' ' 9' ' ' ARG . 19.4 tp 59.86 35.92 21.9 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.845 -177.465 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -100.29 64.52 0.6 Allowed Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.471 -0.786 . . . . 0.0 113.244 -174.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 64.28 97.06 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 173.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -68.36 -32.45 72.55 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.81 0.814 . . . . 0.0 109.145 172.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -68.53 -8.16 38.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.385 -1.28 . . . . 0.0 111.678 -175.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.738 HD11 ' HA ' ' A' ' 13' ' ' ARG . 6.4 tt -64.45 -41.0 96.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.107 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.404 ' HB3' ' HB2' ' A' ' 38' ' ' LEU . 93.4 mt -67.66 -21.13 65.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.508 -177.185 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -76.3 -24.03 54.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.316 -177.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.659 ' NH2' ' HG ' ' A' ' 111' ' ' LEU . 22.1 mtm180 -68.09 146.66 53.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.916 0.388 . . . . 0.0 110.008 -179.029 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.689 ' HA ' ' CE1' ' A' ' 39' ' ' HIS . 0.3 OUTLIER -83.56 159.42 21.65 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.779 -172.513 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.583 HD21 ' HB2' ' A' ' 77' ' ' TRP . 23.8 tp -59.67 -37.69 79.47 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 175.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.82 -22.58 65.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.109 176.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.412 HD12 ' H ' ' A' ' 115' ' ' GLU . 58.7 mt -88.37 -9.12 53.75 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.857 0.36 . . . . 0.0 110.62 178.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.469 HD13 ' O ' ' A' ' 115' ' ' GLU . 4.3 mp -101.87 107.33 18.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.614 -174.376 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.757 HG22 ' HB3' ' A' ' 124' ' ' ASP . 3.2 p -91.2 167.4 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 169.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.527 ' HB2' HD13 ' A' ' 82' ' ' LEU . 32.7 t -64.19 157.94 24.39 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 178.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -45.99 -41.54 11.94 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.241 0.543 . . . . 0.0 110.339 176.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -126.02 95.8 4.53 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.827 170.542 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.757 ' HB3' HG22 ' A' ' 120' ' ' VAL . 22.0 t70 -152.05 85.72 1.29 Allowed 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 164.382 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 33.4 t70 . . . . . 0 C--O 1.249 1.058 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.311 -173.544 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptm . . . . . 0 N--CA 1.484 1.259 0 CA-C-O 121.03 0.443 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 m -91.29 -167.32 1.77 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.393 -177.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 4' ' ' GLN . 1.7 m-20 -57.71 102.76 0.1 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.747 0.308 . . . . 0.0 110.244 176.269 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.471 ' HB2' ' O ' ' A' ' 3' ' ' ASP . 33.1 tt0 167.62 -40.83 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.53 -172.184 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -120.45 19.07 12.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.916 -176.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -81.51 12.01 4.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.28 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -52.09 -33.64 40.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.98 -173.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -100.72 13.46 34.81 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -169.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -145.74 140.92 27.55 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.171 -178.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -120.77 155.79 33.24 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 174.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -100.28 160.39 14.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.725 0.297 . . . . 0.0 110.651 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -97.53 95.44 7.63 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.268 0.556 . . . . 0.0 111.007 -178.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.5 mtt180 -130.85 153.72 48.81 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 176.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.477 ' O ' ' HA ' ' A' ' 35' ' ' ASP . 47.7 mm -91.01 97.41 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.336 0.589 . . . . 0.0 111.399 -175.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -154.48 114.25 3.79 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.828 175.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -105.32 176.08 5.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.075 -177.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -96.44 28.6 3.24 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 175.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.85 133.95 38.06 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.598 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.445 ' HB3' ' HB2' ' A' ' 62' ' ' TYR . 22.6 t70 -71.28 126.82 30.63 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 176.521 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 m -122.59 120.2 33.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.999 0.428 . . . . 0.0 111.58 -173.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -117.64 119.33 34.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.517 174.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.594 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 1.7 mp -103.42 120.05 52.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 171.49 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.48 HD23 ' CB ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -138.66 169.4 17.85 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.068 0.461 . . . . 0.0 112.071 -169.785 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -129.45 43.78 3.08 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.392 -0.822 . . . . 0.0 108.826 171.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.51 -100.08 2.42 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.75 -175.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -81.1 17.93 1.16 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.226 0.536 . . . . 0.0 112.105 -173.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.1 tpm_? -143.91 101.32 3.72 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.331 176.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.48 ' CB ' HD23 ' A' ' 23' ' ' LEU . 15.4 ptp180 -93.24 136.46 33.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.408 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.433 ' HB2' ' O ' ' A' ' 22' ' ' ILE . 9.5 m-90 -116.67 94.65 4.69 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.476 170.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -67.46 104.84 1.64 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 175.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.579 HG11 HD13 ' A' ' 22' ' ' ILE . 9.9 p -118.5 166.06 13.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.294 -167.431 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.6 mt -96.43 127.01 42.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.2 tp -66.75 139.05 57.79 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -130.73 -28.97 1.97 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -176.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.477 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 4.5 t70 -178.76 170.09 1.59 Allowed 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 169.437 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.6 p -164.69 148.14 2.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.19 0.519 . . . . 0.0 111.336 -175.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.4 p -139.16 -173.01 3.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.862 177.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.0 tp -90.07 9.46 28.05 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.63 0.729 . . . . 0.0 109.504 176.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.582 ' ND1' ' HA ' ' A' ' 115' ' ' GLU . 6.5 m170 -113.56 -5.29 13.43 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.829 0.824 . . . . 0.0 109.211 -178.341 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 148.64 -172.2 28.86 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 114.35 -1.295 . . . . 0.0 112.052 -175.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.9 tt -134.48 151.92 32.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -173.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.916 ' HG ' HD12 ' A' ' 82' ' ' LEU . 32.6 tp -130.03 106.6 8.74 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.096 0.474 . . . . 0.0 110.05 -178.187 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.6 m -113.14 169.02 5.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.973 -178.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 81' ' ' GLY . . . -117.53 111.61 2.27 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.708 -177.518 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.684 ' HB2' HD11 ' A' ' 83' ' ' LEU . 45.1 tp60 -87.91 133.79 36.71 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -178.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 45' ' ' GLN . 43.5 Cg_exo -57.11 -71.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.454 2.103 . . . . 0.0 112.242 177.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -151.26 -53.15 0.13 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.743 0.306 . . . . 0.0 110.728 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -63.9 115.22 4.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.057 -177.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.561 ' HB2' ' HG2' ' A' ' 45' ' ' GLN . 71.9 t-105 -159.52 149.33 18.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.682 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.423 ' OD1' ' HD3' ' A' ' 55' ' ' ARG . 0.7 OUTLIER -75.13 -69.01 0.5 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.868 179.512 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.57 ' O ' ' HD3' ' A' ' 53' ' ' PRO . . . 111.07 8.14 24.15 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 119.987 -1.101 . . . . 0.0 114.254 171.491 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.609 ' HB2' ' HD3' ' A' ' 55' ' ' ARG . 14.7 m-20 -91.62 110.28 42.24 Favored Pre-proline 0 CA--C 1.516 -0.349 0 CA-C-N 117.398 0.599 . . . . 0.0 110.744 176.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.57 ' HD3' ' O ' ' A' ' 51' ' ' GLY . 23.8 Cg_exo -63.42 -11.12 24.27 Favored 'Trans proline' 0 CA--C 1.529 0.258 0 C-N-CA 122.92 2.413 . . . . 0.0 111.477 171.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.1 mp0 -84.61 -13.1 52.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.705 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.609 ' HD3' ' HB2' ' A' ' 52' ' ' ASP . 20.6 mtp180 -95.0 126.71 45.71 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.299 -179.557 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.42 150.6 46.7 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.65 2.233 . . . . 0.0 112.038 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.46 ' HB3' HG23 ' A' ' 22' ' ' ILE . 64.3 m-85 -135.83 147.97 48.5 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.22 -177.229 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.594 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 36.1 mt-10 -113.03 133.69 54.86 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -112.17 119.41 38.29 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.825 0.345 . . . . 0.0 110.911 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.537 ' HB3' HD11 ' A' ' 68' ' ' LEU . 17.0 mtm180 -114.54 112.89 23.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.222 174.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.689 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 65.3 mt -100.82 115.27 29.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.123 179.031 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.445 ' HB2' ' HB3' ' A' ' 19' ' ' ASP . 64.0 m-85 -90.54 114.15 26.3 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.074 -177.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -113.12 1.6 15.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.323 0.582 . . . . 0.0 109.733 175.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.98 -165.94 36.32 Favored Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.4 mt -83.38 -39.65 20.4 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 117.179 0.489 . . . . 0.0 110.187 178.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -96.92 -29.21 13.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.182 176.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.2 t -80.39 90.24 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.616 -176.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' ' 60' ' ' ARG . 65.7 tp -117.86 111.77 19.48 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.037 178.255 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.689 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 56.8 mt -86.98 99.38 8.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.9 ptt180 -98.18 142.48 29.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.089 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.8 ptm -149.02 130.98 15.24 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.626 174.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.475 ' HB2' ' HB3' ' A' ' 89' ' ' HIS . 36.5 mt-10 -91.5 124.71 35.88 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -179.445 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.69 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 9.2 pt -133.73 160.26 42.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.332 0.587 . . . . 0.0 111.904 -169.54 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 65.7 m -124.97 137.77 54.25 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.832 171.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.55 ' HB3' ' HA ' ' A' ' 53' ' ' PRO . 60.8 tp -64.59 126.04 26.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.298 -178.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.527 ' HB2' ' HG3' ' A' ' 86' ' ' GLU . . . -103.38 -48.28 4.04 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.946 0.403 . . . . 0.0 110.724 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 42.8 p-90 -151.89 147.34 26.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.514 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -137.78 117.17 12.8 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.245 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -131.59 122.67 26.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.732 -178.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 62.53 -88.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.068 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.41 ' O ' ' HA2' ' A' ' 44' ' ' GLY . . . -128.85 -15.11 2.18 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.324 179.136 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.916 HD12 ' HG ' ' A' ' 42' ' ' LEU . 3.9 mm? -87.3 122.3 30.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.304 0.573 . . . . 0.0 111.163 -176.416 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.684 HD11 ' HB2' ' A' ' 45' ' ' GLN . 38.7 mt -106.57 116.03 31.23 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.183 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -97.21 118.68 6.14 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.842 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.69 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 91.4 m-85 -114.01 136.56 52.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.399 0.142 . . . . 0.0 110.919 -178.656 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.527 ' HG3' ' HB2' ' A' ' 76' ' ' ALA . 51.6 mt-10 -85.57 135.01 33.99 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 173.309 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.549 ' HA ' HG22 ' A' ' 73' ' ' ILE . 26.3 p -81.05 128.65 33.95 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.485 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -105.24 -46.9 4.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.951 0.405 . . . . 0.0 110.685 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 72' ' ' GLU . 53.2 t60 -125.85 114.51 18.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.31 177.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.6 mp -121.87 106.36 17.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 176.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.404 ' O ' HG13 ' A' ' 95' ' ' ILE . 5.3 m-20 -59.69 144.16 48.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.558 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 85.6 mt -61.68 -34.69 76.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.114 0.483 . . . . 0.0 109.753 178.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -62.76 -45.45 92.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.625 174.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 39.1 m -60.79 -43.77 97.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.773 177.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 91' ' ' ASP . 73.0 mt -60.07 -45.17 95.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.37 177.098 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.495 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 50.5 m -57.45 -50.93 71.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.799 178.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -53.81 -50.86 65.21 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.749 0.309 . . . . 0.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 51.1 tp -63.67 -50.26 69.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.327 -175.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 40.9 ttt85 -66.0 -42.15 90.11 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.5 -175.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.495 ' HG2' ' O ' ' A' ' 96' ' ' SER . 30.2 mmm180 -63.39 -40.0 96.04 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.221 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.62 -46.68 89.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.714 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.514 HG21 HD11 ' A' ' 112' ' ' LEU . 99.0 t -67.09 -39.73 83.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.275 -179.178 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -66.84 -45.12 79.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.795 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 100' ' ' ARG . 10.8 mp -70.36 -9.87 57.44 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.874 -177.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -111.0 -5.41 14.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.019 176.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 20.0 tp 59.94 43.13 15.17 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.333 0.587 . . . . 0.0 110.609 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -91.29 16.54 58.61 Favored Glycine 0 C--O 1.229 -0.202 0 C-N-CA 120.957 -0.639 . . . . 0.0 113.36 -175.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 68.81 116.55 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.499 0.666 . . . . 0.0 112.14 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -71.9 -20.69 61.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.826 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -59.68 -35.4 74.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.87 -175.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 71.2 mt -65.64 -26.98 68.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.279 -177.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.514 HD11 HG21 ' A' ' 102' ' ' VAL . 87.7 mt -77.44 -12.63 59.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.06 -177.443 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.409 ' HA ' ' CE1' ' A' ' 39' ' ' HIS . 14.7 mt-10 -127.84 38.28 4.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.897 0.379 . . . . 0.0 111.677 -174.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.77 HH11 ' HG ' ' A' ' 119' ' ' LEU . 33.4 mtt180 -70.21 -100.66 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 167.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.626 ' HB3' ' HG ' ' A' ' 118' ' ' LEU . 9.2 tp10 -179.2 152.81 0.56 Allowed 'General case' 0 C--O 1.22 -0.489 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 171.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.62 -39.35 76.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 119.328 0.967 . . . . 0.0 110.17 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -74.92 -7.35 53.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.357 177.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.626 ' HG ' ' HB3' ' A' ' 115' ' ' GLU . 84.4 mt -105.97 -10.2 16.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 178.429 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.77 ' HG ' HH11 ' A' ' 114' ' ' ARG . 1.2 mp -90.31 110.32 21.39 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.565 0.698 . . . . 0.0 111.856 -173.574 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 44.0 t -102.73 151.43 6.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 169.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.524 ' HB2' HD11 ' A' ' 82' ' ' LEU . 40.9 t -61.41 163.24 6.9 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 120.819 0.342 . . . . 0.0 111.64 -176.37 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -43.34 -38.9 2.88 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.14 166.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -83.51 87.59 7.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.248 174.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -107.6 -20.6 13.18 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 172.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 . . . . . 0 C--O 1.246 0.904 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.409 -176.438 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.2 mtm . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.765 0.317 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 t -153.99 -78.61 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 174.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.489 ' OD1' ' HG3' ' A' ' 4' ' ' GLN . 2.2 p-10 -160.36 -75.18 0.07 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.263 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.489 ' HG3' ' OD1' ' A' ' 3' ' ' ASP . 4.8 pp0? -97.94 178.81 5.0 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 167.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 22.7 p80 -165.56 153.86 11.35 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.231 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -73.48 151.61 40.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.536 170.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -94.14 123.52 37.57 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 175.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 -84.06 88.93 7.19 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.274 0.559 . . . . 0.0 110.278 -176.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.506 ' C ' ' HD2' ' A' ' 10' ' ' ARG . 99.3 mtt180 -92.33 101.6 14.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.792 -175.28 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.506 ' HD2' ' C ' ' A' ' 9' ' ' ARG . 3.2 mpt_? -117.87 -101.3 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 175.022 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -77.08 125.13 28.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.926 0.393 . . . . 0.0 109.968 177.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 42.6 p-80 -147.3 71.82 1.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.203 -178.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.631 HH21 ' HA ' ' A' ' 125' ' ' ASP . 5.4 mpt_? 60.35 -164.75 0.22 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.486 -174.352 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.685 ' O ' ' HA ' ' A' ' 35' ' ' ASP . 50.4 mm -92.27 89.2 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 C-N-CA 119.381 -0.927 . . . . 0.0 109.467 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.14 102.99 2.99 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.555 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -86.57 161.09 18.72 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -82.32 84.09 7.24 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 174.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.438 ' HB2' HD13 ' A' ' 63' ' ' LEU . . . -135.19 145.39 47.66 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.597 -174.19 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.411 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 7.7 m-20 -67.88 120.14 13.69 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 176.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.2 m -112.78 109.22 18.56 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.845 0.355 . . . . 0.0 110.818 -176.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -111.47 122.95 49.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.988 0.423 . . . . 0.0 111.167 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.477 HD11 HG11 ' A' ' 43' ' ' VAL . 1.8 mp -96.87 113.35 31.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 172.578 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.533 ' HB2' ' HB2' ' A' ' 58' ' ' GLU . 40.9 mt -94.61 137.91 33.13 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.632 -175.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.467 ' HB3' ' HZ3' ' A' ' 29' ' ' TRP . 50.0 tt0 -116.05 79.06 1.25 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 170.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.38 -83.54 0.76 Allowed Glycine 0 N--CA 1.443 -0.837 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.387 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -117.23 -5.63 11.33 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -174.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -114.17 152.34 31.33 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 121.151 -0.22 . . . . 0.0 110.489 -176.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -125.36 127.93 47.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.268 0.556 . . . . 0.0 111.798 -171.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.467 ' HZ3' ' HB3' ' A' ' 24' ' ' GLN . 10.9 m-90 -109.8 99.62 8.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.869 176.458 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -77.17 115.47 16.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.149 176.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.455 HG22 ' H ' ' A' ' 32' ' ' LEU . 9.8 p -136.93 169.58 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.727 -171.513 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.455 ' H ' HG22 ' A' ' 31' ' ' VAL . 55.1 tp -90.42 137.11 32.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.839 0.352 . . . . 0.0 111.028 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.9 tp -85.19 152.7 23.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.518 178.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -128.45 -38.46 1.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.777 -0.192 . . . . 0.0 111.478 176.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.685 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 10.8 t70 -164.65 157.65 17.05 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 174.616 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.6 p -156.94 138.88 5.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.888 0.375 . . . . 0.0 110.726 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.6 m -148.0 -169.38 3.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.074 0.464 . . . . 0.0 110.878 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 62.5 tp -69.75 -21.38 63.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.734 0.778 . . . . 0.0 111.287 -176.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -111.85 14.5 21.0 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.564 -171.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.444 ' HA3' HD13 ' A' ' 116' ' ' LEU . . . 149.92 177.79 24.27 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 119.616 -1.278 . . . . 0.0 113.714 177.267 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.7 tt -143.45 135.59 23.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.061 -0.57 . . . . 0.0 109.974 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.68 HD11 ' HB3' ' A' ' 82' ' ' LEU . 34.6 tp -109.5 116.35 31.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.66 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.477 HG11 HD11 ' A' ' 22' ' ' ILE . 34.3 m -114.7 162.88 12.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.508 178.452 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -118.8 99.32 0.77 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.787 -177.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.436 ' HG2' ' H ' ' A' ' 47' ' ' GLN . 8.7 tt0 -117.57 122.33 30.96 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 177.021 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 45' ' ' GLN . 23.7 Cg_exo -64.18 -17.2 58.85 Favored 'Trans proline' 0 CA--C 1.529 0.238 0 C-N-CA 122.83 2.353 . . . . 0.0 113.179 -177.596 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.436 ' H ' ' HG2' ' A' ' 45' ' ' GLN . 10.8 mm100 -99.14 128.51 45.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.847 0.356 . . . . 0.0 110.859 -178.039 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -89.3 100.19 13.03 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -89.44 173.98 8.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.713 -178.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -149.32 81.51 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.307 0.575 . . . . 0.0 111.09 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.8 -22.37 28.5 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 168.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.421 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 0.3 OUTLIER 87.66 145.1 0.06 OUTLIER Pre-proline 0 CA--C 1.52 -0.201 0 C-N-CA 125.041 1.336 . . . . 0.0 109.934 178.001 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.444 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 52.8 Cg_exo -56.2 -0.6 0.22 Allowed 'Trans proline' 0 N--CA 1.476 0.475 0 C-N-CA 123.778 2.985 . . . . 0.0 114.665 -177.41 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -91.32 -6.25 53.38 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.217 -0.302 . . . . 0.0 110.565 177.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -84.55 125.9 70.34 Favored Pre-proline 0 C--O 1.234 0.24 0 CA-C-O 120.694 0.283 . . . . 0.0 110.801 176.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -74.13 128.69 12.42 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.33 2.02 . . . . 0.0 111.528 175.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.494 ' CE2' ' HB2' ' A' ' 75' ' ' LEU . 43.6 m-85 -123.19 154.4 38.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.145 -178.501 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.533 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 43.8 mt-10 -117.42 138.3 51.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.782 0.325 . . . . 0.0 111.001 177.263 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.537 ' HB2' HD13 ' A' ' 73' ' ' ILE . . . -106.06 117.35 33.81 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.169 175.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -113.59 110.87 20.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.952 178.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.578 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 88.8 mt -106.37 116.45 31.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.385 -178.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.411 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 61.3 m-85 -101.04 102.31 13.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.156 -177.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.438 HD13 ' HB2' ' A' ' 18' ' ' ALA . 4.4 mm? -88.89 -9.39 51.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.607 0.717 . . . . 0.0 109.272 175.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 177.34 -169.47 41.67 Favored Glycine 0 N--CA 1.442 -0.958 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 178.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.4 tp -80.5 -29.73 37.3 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 117.556 0.678 . . . . 0.0 110.009 177.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -97.35 -31.99 12.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.514 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.3 t -88.61 99.24 8.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.658 -177.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 65.6 tp -119.03 126.53 51.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.722 -178.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.578 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 60.2 mt -113.41 135.84 51.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 175.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -145.79 146.88 31.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.197 0.523 . . . . 0.0 111.636 -175.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -152.94 141.58 20.91 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.186 173.11 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -81.84 111.91 18.49 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 174.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.562 HG22 ' HA ' ' A' ' 87' ' ' CYS . 23.3 pt -110.65 166.23 5.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.469 0.652 . . . . 0.0 111.572 -172.514 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.2 p -127.53 133.46 49.81 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.367 -0.833 . . . . 0.0 108.893 173.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.494 ' HB2' ' CE2' ' A' ' 57' ' ' PHE . 63.8 tp -58.74 119.87 7.92 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 177.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -101.44 -50.72 3.66 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.149 -178.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 -157.65 144.97 18.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.147 0.499 . . . . 0.0 111.816 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -122.17 113.43 19.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.175 173.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -120.91 96.99 5.33 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.681 0.277 . . . . 0.0 111.588 -174.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.3 t70 62.36 10.07 3.69 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 168.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 132.7 -22.97 4.04 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.443 -0.884 . . . . 0.0 111.919 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.68 ' HB3' HD11 ' A' ' 42' ' ' LEU . 95.1 mt -93.21 113.18 25.32 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 175.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.1 mp -108.55 119.76 40.47 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.972 0.415 . . . . 0.0 110.918 -178.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -103.2 114.72 4.94 Favored Glycine 0 N--CA 1.439 -1.158 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.447 178.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.414 ' CG ' HD12 ' A' ' 73' ' ' ILE . 84.4 m-85 -100.0 141.69 32.47 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.075 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -93.92 125.49 38.57 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 178.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.562 ' HA ' HG22 ' A' ' 73' ' ' ILE . 78.0 m -74.19 108.67 7.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.526 178.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -81.92 -61.86 1.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -116.82 108.49 15.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.285 178.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 90' ' ' ILE . 3.3 mp -99.47 125.35 53.06 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 174.36 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.498 ' HB3' ' HB2' ' A' ' 94' ' ' SER . 27.5 t70 -60.74 144.05 53.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 123.046 0.216 . . . . 0.0 110.605 -178.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.5 mp -58.94 -41.8 88.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.135 -176.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -73.93 -29.13 61.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.351 0.596 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.498 ' HB2' ' HB3' ' A' ' 91' ' ' ASP . 23.1 t -62.51 -43.93 97.61 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.586 174.414 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 67.8 mt -65.56 -47.08 87.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.104 178.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.477 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 33.2 p -62.64 -42.91 99.86 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.566 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -58.87 -48.26 82.01 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.649 0.261 . . . . 0.0 110.675 176.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.06 -47.66 84.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.399 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.574 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 2.7 tpt180 -63.02 -48.17 79.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.331 -178.068 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' A' ' 96' ' ' SER . 29.1 mmm180 -64.97 -34.92 79.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.825 0.345 . . . . 0.0 110.711 -178.386 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 45.8 tp -61.04 -42.7 98.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.776 175.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.824 HG21 HD11 ' A' ' 112' ' ' LEU . 42.0 t -58.83 -41.92 84.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.054 176.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.574 ' HG2' ' O ' ' A' ' 99' ' ' ARG . 5.1 mm-40 -61.82 -35.11 77.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.057 0.455 . . . . 0.0 110.346 179.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 94.6 mt -79.46 -42.28 25.69 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.167 -174.128 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 34.2 p30 -98.16 -2.23 40.38 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.7 -176.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 9.3 mp 63.39 30.58 15.45 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 123.611 0.569 . . . . 0.0 112.243 178.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.458 ' O ' HG13 ' A' ' 102' ' ' VAL . . . -75.28 70.94 1.82 Allowed Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 172.37 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -36.27 138.39 0.21 Allowed 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -169.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' A' ' 113' ' ' GLU . 14.1 pt-20 -66.16 -12.44 55.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.145 -1.389 . . . . 0.0 112.91 -172.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.63 -38.23 71.81 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.313 0.578 . . . . 0.0 109.877 178.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.5 ' HB3' ' NH1' ' A' ' 114' ' ' ARG . 46.7 mt -72.44 -27.54 62.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.58 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.824 HD11 HG21 ' A' ' 102' ' ' VAL . 96.0 mt -77.21 -19.28 56.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.608 179.107 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 66.8 mm-40 -100.86 18.38 19.68 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.682 -173.643 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.766 HH21 ' HA ' ' A' ' 119' ' ' LEU . 57.9 mtm-85 -79.14 -160.52 0.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 175.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.601 ' O ' HD13 ' A' ' 119' ' ' LEU . 0.5 OUTLIER -117.21 158.35 24.44 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 173.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.444 HD13 ' HA3' ' A' ' 40' ' ' GLY . 59.5 tp -57.93 -34.03 69.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 118.133 0.424 . . . . 0.0 110.278 178.327 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -72.68 -11.06 60.48 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.614 175.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.425 ' HB2' ' H ' ' A' ' 115' ' ' GLU . 68.9 mt -105.37 -0.1 26.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.385 178.465 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.766 ' HA ' HH21 ' A' ' 114' ' ' ARG . 5.9 mp -90.22 91.93 8.72 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.158 0.504 . . . . 0.0 109.842 179.075 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 8.9 t -107.77 163.15 5.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.47 -178.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.0 p -74.59 171.79 13.21 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.83 0.348 . . . . 0.0 111.311 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.44 5.75 0.95 Allowed 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -172.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -91.1 0.02 57.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.358 0.599 . . . . 0.0 109.949 178.518 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -129.1 -166.58 1.66 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.476 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.631 ' HA ' HH21 ' A' ' 13' ' ' ARG . 36.1 t70 . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.164 -0.922 . . . . 0.0 109.71 176.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 tpt . . . . . 0 N--CA 1.478 0.97 0 CA-C-O 120.823 0.344 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 p -142.12 78.8 1.64 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.245 0.545 . . . . 0.0 111.248 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -152.21 119.62 5.99 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.18 177.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -84.94 117.39 23.91 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -103.82 -67.16 0.91 Allowed 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.326 176.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -122.32 -4.61 8.88 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.508 0.67 . . . . 0.0 109.782 -179.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.426 ' CD ' ' H ' ' A' ' 7' ' ' GLU . 1.9 mp0 -76.41 70.64 3.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.925 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -79.64 96.33 6.16 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.591 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -67.93 151.21 47.47 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.662 -175.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.48 ' HA ' ' HD3' ' A' ' 10' ' ' ARG . 11.2 mmt180 -72.83 125.4 27.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.189 0.518 . . . . 0.0 110.703 -174.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 34.1 p90 -81.42 13.63 2.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.392 -173.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -77.13 83.71 3.62 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 173.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.566 ' HG2' ' H ' ' A' ' 14' ' ' ILE . 23.8 ttp-105 -109.15 -171.06 1.77 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.479 -175.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.566 ' H ' ' HG2' ' A' ' 13' ' ' ARG . 32.1 mm -78.58 89.39 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.329 0.585 . . . . 0.0 110.54 -177.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -156.52 93.13 1.36 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.545 177.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -91.67 153.65 19.54 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.833 -178.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -77.28 78.74 3.8 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 171.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.81 138.19 53.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.599 -174.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.508 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 4.6 m-20 -63.51 117.76 7.19 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 176.088 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.0 m -115.39 113.25 23.51 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.91 0.386 . . . . 0.0 110.401 -177.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -117.79 125.01 49.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.21 178.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.471 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 80.5 mt -96.93 118.92 44.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 174.178 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.668 HD22 ' HG2' ' A' ' 28' ' ' ARG . 31.0 mt -106.84 153.07 23.04 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.039 0.447 . . . . 0.0 110.99 -174.618 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -149.82 89.21 1.59 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.233 170.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.32 -83.81 0.43 Allowed Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.464 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -111.98 -27.55 8.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.92 0.39 . . . . 0.0 111.109 -177.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -86.88 138.17 31.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.882 0.372 . . . . 0.0 111.434 -170.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.668 ' HG2' HD22 ' A' ' 23' ' ' LEU . 52.1 mtt180 -125.14 111.26 15.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.663 -176.044 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 25.8 m-90 -98.49 106.01 18.23 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.281 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -71.99 110.78 6.71 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 172.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.4 p -126.15 153.8 34.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.027 0.442 . . . . 0.0 111.542 -171.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.56 139.4 30.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.03 176.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.0 tp -80.33 143.09 33.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.093 -177.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -116.03 -38.92 3.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.622 176.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -175.41 165.54 3.26 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 177.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.0 p -162.15 147.07 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.048 0.451 . . . . 0.0 110.995 178.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.1 p -145.16 -167.97 2.82 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.277 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.1 tp -87.78 12.72 12.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.859 0.838 . . . . 0.0 109.229 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.548 ' ND1' ' HA ' ' A' ' 115' ' ' GLU . 10.5 m170 -110.58 -13.21 14.26 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.657 178.507 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.467 ' HA3' ' O ' ' A' ' 85' ' ' PHE . . . 144.98 -158.56 27.67 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 114.663 -1.153 . . . . 0.0 112.304 -175.671 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.8 tt -140.73 148.35 21.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.83 0.347 . . . . 0.0 110.851 -172.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.468 HD11 ' HB3' ' A' ' 82' ' ' LEU . 56.3 tp -121.24 121.49 37.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.338 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.458 HG21 HD11 ' A' ' 22' ' ' ILE . 22.1 m -132.03 -177.26 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.599 178.718 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.481 ' O ' ' HD3' ' A' ' 46' ' ' PRO . . . -107.45 171.0 16.01 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.998 179.036 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -112.0 92.27 17.68 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-O 120.817 0.341 . . . . 0.0 110.679 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.481 ' HD3' ' O ' ' A' ' 44' ' ' GLY . 2.5 Cg_endo -88.63 -68.59 0.01 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 123.247 2.631 . . . . 0.0 113.403 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.5 mp0 -84.21 -167.48 1.78 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.832 0.349 . . . . 0.0 111.126 -174.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -64.55 126.23 27.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.474 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.416 ' HH2' HG21 ' A' ' 22' ' ' ILE . 75.4 t-105 -135.5 137.66 42.33 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.029 -173.598 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -62.47 -57.34 11.56 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.865 0.364 . . . . 0.0 110.845 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.53 26.95 40.78 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.146 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.531 ' OD1' ' HB3' ' A' ' 54' ' ' GLN . 16.0 t0 -113.57 116.69 45.7 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 -178.493 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.442 ' HA ' ' HB3' ' A' ' 75' ' ' LEU . 42.9 Cg_endo -68.48 -6.19 17.03 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.92 2.413 . . . . 0.0 112.535 -178.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.531 ' HB3' ' OD1' ' A' ' 52' ' ' ASP . 53.1 tp60 -78.29 -11.5 59.94 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.377 0.608 . . . . 0.0 109.569 175.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 55' ' ' ARG . 7.9 mmt180 -93.2 113.18 59.28 Favored Pre-proline 0 N--CA 1.449 -0.492 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.989 -177.502 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.505 ' HD3' ' O ' ' A' ' 54' ' ' GLN . 17.5 Cg_exo -65.61 137.4 50.08 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.571 2.181 . . . . 0.0 110.866 169.558 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -126.76 161.65 27.66 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.789 0.328 . . . . 0.0 110.86 -177.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.537 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 42.8 mt-10 -120.67 148.74 43.53 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 178.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -124.97 124.26 41.63 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.134 0.493 . . . . 0.0 111.819 -178.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.449 ' HD3' ' OH ' ' A' ' 62' ' ' TYR . 94.0 mtt180 -105.36 119.4 38.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.073 173.437 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.863 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 97.7 mt -113.13 109.46 18.83 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 174.646 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.508 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 46.9 m-85 -92.33 109.18 20.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.839 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.401 ' HG ' HD22 ' A' ' 101' ' ' LEU . 3.6 mm? -105.65 -6.9 18.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.369 0.604 . . . . 0.0 109.87 175.595 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -178.66 -158.42 21.19 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.101 -179.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.437 ' H ' HD12 ' A' ' 65' ' ' LEU . 4.5 mp -81.82 -50.85 8.74 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -101.11 -11.65 19.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.438 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.7 t -90.04 84.28 2.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.727 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.2 tt -123.19 137.05 54.99 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.733 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.863 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 75.0 mt -107.83 113.87 44.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.951 177.448 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 70' ' ' ARG . 41.9 ttm105 -110.21 114.92 28.79 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.158 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 18.6 ptm -137.93 116.69 12.27 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.92 -177.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -71.0 134.93 47.54 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 174.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.608 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 9.2 pt -130.08 150.61 34.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.475 0.655 . . . . 0.0 111.84 -172.664 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.3 m -108.31 122.46 47.01 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.311 175.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.442 ' HB3' ' HA ' ' A' ' 53' ' ' PRO . 55.5 tp -60.96 110.49 1.36 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 178.058 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -89.39 -44.76 9.96 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.823 -175.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 60.3 p-90 -156.58 158.2 36.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.317 0.58 . . . . 0.0 111.517 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -139.68 105.44 5.15 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.324 -0.853 . . . . 0.0 108.829 177.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -117.86 105.51 12.01 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.71 -173.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.4 t70 62.82 -87.97 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.48 -178.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -124.89 6.65 8.31 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.963 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.468 ' HB3' HD11 ' A' ' 42' ' ' LEU . 59.4 mt -106.23 122.05 45.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.936 0.398 . . . . 0.0 110.872 -177.153 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.412 ' HB2' HG23 ' A' ' 43' ' ' VAL . 80.4 mt -104.09 114.87 29.42 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.027 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.97 121.92 6.73 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.113 -179.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.608 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 75.2 m-85 -115.47 145.39 42.64 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.7 0.286 . . . . 0.0 110.625 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -95.77 138.42 33.44 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 174.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 12.7 p -71.98 111.71 7.46 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.018 0.437 . . . . 0.0 110.167 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -87.81 -49.8 6.87 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.361 -176.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -147.74 138.23 23.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.315 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 27.1 mt -134.24 132.76 55.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.775 0.322 . . . . 0.0 110.551 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.456 ' O ' HG13 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -66.29 136.39 55.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.566 176.806 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.2 mp -61.52 -35.44 77.71 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -175.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -66.9 -43.08 84.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.107 0.48 . . . . 0.0 109.767 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.553 ' HB3' HG23 ' A' ' 69' ' ' ILE . 41.6 m -58.5 -44.37 89.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.465 174.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 91' ' ' ASP . 77.5 mt -57.8 -44.37 85.98 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.152 175.44 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.1 m -62.15 -36.17 81.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.058 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -67.27 -51.3 54.52 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 176.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.21 -47.01 84.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.382 -178.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.416 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 51.7 ttt-85 -53.47 -58.08 8.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.224 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 -66.46 -36.28 82.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.649 -176.084 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.491 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 63.4 tp -57.52 -49.88 74.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.694 179.233 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.584 HG21 HD11 ' A' ' 112' ' ' LEU . 85.9 t -66.42 -38.81 82.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.386 -178.085 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.709 ' HA ' ' HA2' ' A' ' 107' ' ' GLY . 50.5 mt-10 -59.25 -47.84 83.84 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.794 0.331 . . . . 0.0 110.722 178.12 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.51 -13.66 59.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.491 ' HB2' ' O ' ' A' ' 101' ' ' LEU . 10.5 t-20 -83.18 -29.37 28.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.123 0.487 . . . . 0.0 110.95 -177.499 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 44.9 tp -176.53 -33.46 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.295 -0.866 . . . . 0.0 108.682 -178.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.709 ' HA2' ' HA ' ' A' ' 103' ' ' GLU . . . 87.24 7.98 75.77 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 114.975 -1.012 . . . . 0.0 113.069 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.433 ' OD2' ' HG ' ' A' ' 111' ' ' LEU . 16.9 t70 -85.12 110.58 19.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.962 0.411 . . . . 0.0 110.234 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -89.11 -8.43 53.83 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.783 -178.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -70.53 -39.11 74.26 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.494 HD22 ' HG3' ' A' ' 13' ' ' ARG . 84.2 mt -57.54 -34.23 68.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.413 174.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.584 HD11 HG21 ' A' ' 102' ' ' VAL . 87.4 mt -78.96 -14.09 59.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.759 0.314 . . . . 0.0 111.085 -178.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -127.83 37.18 4.23 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.246 0.546 . . . . 0.0 110.677 -172.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -75.85 -98.18 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 171.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.696 ' O ' HD13 ' A' ' 119' ' ' LEU . 0.1 OUTLIER -178.4 154.37 0.8 Allowed 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 171.457 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 61.2 tp -59.29 -37.78 78.54 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 177.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.5 -18.2 63.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.378 175.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 82.3 mt -101.6 2.55 39.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.558 -178.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.696 HD13 ' O ' ' A' ' 115' ' ' GLU . 5.7 mp -93.66 114.65 27.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.11 0.481 . . . . 0.0 109.896 178.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 121' ' ' SER . 6.4 t -111.08 167.51 4.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.232 -174.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.469 ' N ' HG12 ' A' ' 120' ' ' VAL . 75.5 m -82.9 172.09 13.19 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.083 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -43.57 -40.56 4.06 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.641 176.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -118.84 149.99 40.59 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.884 -0.414 . . . . 0.0 109.884 174.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -97.67 -29.39 13.43 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 172.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 28.2 t70 . . . . . 0 C--O 1.247 0.972 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.171 176.462 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.482 1.128 0 CA-C-O 120.884 0.373 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.2 t -89.18 -23.59 22.37 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 167.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -82.84 -170.1 2.83 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 114.731 -1.122 . . . . 0.0 108.58 172.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -82.03 -66.1 0.93 Allowed 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.906 -178.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.793 ' HB3' ' HG3' ' A' ' 7' ' ' GLU . 51.0 m170 -135.84 168.29 19.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.353 0.597 . . . . 0.0 111.935 -175.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -122.86 37.41 4.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.131 174.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.793 ' HG3' ' HB3' ' A' ' 5' ' ' HIS . 39.4 mt-10 -64.17 140.15 58.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.003 -176.337 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.0 ptt85 -86.26 162.33 18.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.82 -174.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -64.92 130.22 42.6 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 171.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.5 mtm105 -63.55 -44.28 94.6 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -174.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.429 ' HE2' HG22 ' A' ' 14' ' ' ILE . 16.0 t80 -137.01 113.64 10.24 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.68 0.276 . . . . 0.0 110.267 -177.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.91 ' HE1' ' HB3' ' A' ' 125' ' ' ASP . 8.2 t60 -75.46 -58.0 3.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.3 -175.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -148.54 155.46 41.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.535 -173.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.429 HG22 ' HE2' ' A' ' 11' ' ' PHE . 20.1 pt -85.64 121.02 36.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.212 0.529 . . . . 0.0 111.709 -177.714 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.46 86.72 1.35 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.222 172.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.98 143.73 35.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.835 -178.258 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -86.64 90.03 8.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.231 0.538 . . . . 0.0 110.634 -178.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -107.04 145.05 32.81 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.386 176.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.547 ' HB3' ' HB2' ' A' ' 62' ' ' TYR . 13.9 t70 -66.92 115.97 7.25 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.6 m -115.95 125.86 53.11 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.737 -170.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -134.93 132.93 39.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.911 171.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.686 HD13 HG11 ' A' ' 31' ' ' VAL . 1.5 mp -97.38 129.0 48.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.43 178.248 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.782 HD22 ' HG2' ' A' ' 28' ' ' ARG . 26.5 mt -108.88 148.68 30.26 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.727 -175.222 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.22 50.25 1.32 Allowed 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 169.743 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.23 -80.92 0.83 Allowed Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.838 -175.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -85.39 -31.77 22.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.938 0.399 . . . . 0.0 111.023 -177.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -97.38 145.09 26.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 -173.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.782 ' HG2' HD22 ' A' ' 23' ' ' LEU . 40.4 mtp180 -132.05 125.2 30.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.484 -174.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 -127.35 108.16 10.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.915 0.388 . . . . 0.0 111.415 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -64.91 124.96 23.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.975 175.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.686 HG11 HD13 ' A' ' 22' ' ' ILE . 9.8 p -131.31 164.1 35.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.846 0.355 . . . . 0.0 111.123 -171.516 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 mp -97.55 125.11 42.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.55 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.1 tp -79.36 146.93 32.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.454 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -129.68 -38.43 1.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.544 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.499 ' OD2' ' HG ' ' A' ' 119' ' ' LEU . 6.2 t70 -165.77 167.45 16.98 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.346 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.5 p -165.14 140.01 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.891 0.377 . . . . 0.0 110.411 -177.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.422 ' HB3' ' O ' ' A' ' 112' ' ' LEU . 50.5 m -152.52 -170.03 3.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.611 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.453 ' HG ' ' HB3' ' A' ' 112' ' ' LEU . 21.2 mt -74.08 -9.2 58.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.453 0.644 . . . . 0.0 110.449 -178.584 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -93.36 -23.99 18.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.113 -175.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.634 ' HA2' ' HB2' ' A' ' 87' ' ' CYS . . . 157.77 -145.03 11.19 Favored Glycine 0 N--CA 1.44 -1.042 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.658 -175.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.2 tt -154.94 144.65 13.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 120.794 0.331 . . . . 0.0 110.519 -173.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.534 HD22 ' O ' ' A' ' 119' ' ' LEU . 35.7 tp -115.95 117.06 29.09 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.113 0.483 . . . . 0.0 110.365 177.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.455 HG23 ' HB2' ' A' ' 83' ' ' LEU . 30.7 m -123.05 175.45 5.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.731 175.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -127.5 132.91 7.68 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.362 -178.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.604 ' HB3' HD11 ' A' ' 83' ' ' LEU . 10.7 pt20 -84.63 120.58 74.24 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-O 120.915 0.388 . . . . 0.0 110.719 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -93.95 3.88 2.96 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 123.117 2.545 . . . . 0.0 112.065 176.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.455 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 50.8 tp60 -157.09 175.58 13.88 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -174.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.455 ' H ' ' HG3' ' A' ' 47' ' ' GLN . 20.4 t70 -59.18 142.93 50.45 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.314 0.384 . . . . 0.0 110.529 177.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 61.5 t-105 -94.15 153.25 18.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.162 0.506 . . . . 0.0 111.569 -172.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -135.63 138.76 43.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.808 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.463 ' O ' ' HB2' ' A' ' 52' ' ' ASP . . . 111.29 -51.6 0.69 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.302 178.485 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.609 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 2.9 m-20 73.97 164.86 0.14 Allowed Pre-proline 0 N--CA 1.47 0.543 0 C-N-CA 122.906 0.482 . . . . 0.0 111.403 177.554 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.609 ' HD2' ' HB3' ' A' ' 52' ' ' ASP . 55.9 Cg_endo -69.39 31.42 0.18 Allowed 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.383 2.722 . . . . 0.0 113.714 -177.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -124.73 -23.75 4.28 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.843 0.354 . . . . 0.0 110.708 177.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.427 ' HD3' ' O ' ' A' ' 51' ' ' GLY . 60.3 mtp180 -108.95 118.21 52.02 Favored Pre-proline 0 N--CA 1.449 -0.521 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.335 -175.353 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_exo -50.51 142.07 31.64 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 123.976 3.117 . . . . 0.0 114.073 -176.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.461 ' CD1' ' HE1' ' A' ' 85' ' ' PHE . 61.7 m-85 -123.94 143.98 50.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.923 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.509 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 42.9 mt-10 -104.27 137.88 41.54 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.382 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -107.17 117.05 33.05 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.789 0.328 . . . . 0.0 111.246 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.6 mtt180 -103.98 107.62 18.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.245 173.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.023 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 90.8 mt -105.41 102.88 12.33 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.035 177.155 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.547 ' HB2' ' HB3' ' A' ' 19' ' ' ASP . 70.5 m-85 -80.93 106.88 13.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.991 179.41 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.439 HD23 HG11 ' A' ' 67' ' ' VAL . 45.4 tp -102.86 -23.02 13.78 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.248 0.547 . . . . 0.0 109.875 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -159.84 -159.22 9.65 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.049 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.8 tp -82.16 -43.11 18.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.88 0.371 . . . . 0.0 110.139 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -104.89 -13.58 15.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.512 177.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.439 HG11 HD23 ' A' ' 63' ' ' LEU . 31.7 t -90.67 86.11 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-O 121.321 0.581 . . . . 0.0 110.568 -178.237 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.9 tp -109.89 116.01 30.85 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.794 176.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 1.023 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 58.3 mt -83.84 104.0 11.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.813 177.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 70' ' ' ARG . 16.7 ttt-85 -108.1 111.11 22.98 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.524 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.6 ptp -130.26 136.42 49.17 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 174.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.553 ' HB2' ' HB3' ' A' ' 89' ' ' HIS . 89.6 mt-10 -95.0 115.86 27.97 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.55 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 8.7 pt -115.59 153.65 17.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.659 -168.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.3 p -114.48 118.88 35.04 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.548 176.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.594 ' HB3' ' HA ' ' A' ' 53' ' ' PRO . 55.1 tp -57.97 115.07 2.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.95 0.405 . . . . 0.0 110.608 -178.351 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -91.12 -50.8 5.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.839 -175.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 66.2 p-90 -145.26 147.43 32.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.576 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -143.84 113.25 6.94 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.381 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -156.81 144.28 19.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.675 0.274 . . . . 0.0 111.196 -179.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 59.85 24.34 13.37 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.167 171.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.69 -19.21 55.65 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.723 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.7 mt -86.96 129.21 34.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.984 0.421 . . . . 0.0 110.831 -178.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.604 HD11 ' HB3' ' A' ' 45' ' ' GLN . 75.6 mt -114.52 110.65 20.15 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.217 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -104.19 113.04 4.3 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.959 -0.638 . . . . 0.0 111.884 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.55 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 54.4 m-85 -104.4 141.18 36.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.924 0.392 . . . . 0.0 110.621 -179.138 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -87.28 127.06 35.18 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 174.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.695 ' SG ' HG12 ' A' ' 90' ' ' ILE . 3.2 t -71.85 101.02 2.53 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.187 0.518 . . . . 0.0 109.635 -179.279 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -85.3 -61.51 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.798 -171.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.553 ' HB3' ' HB2' ' A' ' 72' ' ' GLU . 10.7 t-160 -118.18 98.38 6.27 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.441 -179.47 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.695 HG12 ' SG ' ' A' ' 87' ' ' CYS . 1.1 mt -92.24 114.36 29.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.595 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.466 ' O ' HG12 ' A' ' 95' ' ' ILE . 21.3 t70 -71.79 143.41 49.54 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 -178.071 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.0 mp -54.16 -35.41 62.24 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.644 0.59 . . . . 0.0 111.781 -176.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -66.22 -39.26 89.46 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.382 0.61 . . . . 0.0 110.295 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.6 m -73.82 -27.42 61.1 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.81 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.466 HG12 ' O ' ' A' ' 91' ' ' ASP . 42.2 mm -57.57 -46.67 86.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 172.459 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.0 t -67.53 -43.15 81.47 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.293 -178.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -60.86 -53.47 56.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.345 -178.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 54.9 tp -64.4 -50.58 67.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 -175.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -63.42 -48.64 76.93 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.708 -176.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 100' ' ' ARG . 48.4 mtt-85 -69.72 -28.14 65.56 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -174.097 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 55.1 tp -67.0 -41.03 87.41 Favored 'General case' 0 C--O 1.22 -0.479 0 C-N-CA 120.155 -0.618 . . . . 0.0 109.775 174.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.706 HG21 HD11 ' A' ' 112' ' ' LEU . 93.3 t -70.21 -41.24 78.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.782 0.325 . . . . 0.0 110.705 178.457 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -67.29 -58.01 5.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.48 -178.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.86 -23.68 66.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.951 0.405 . . . . 0.0 112.026 -174.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -101.54 4.29 40.91 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.061 0.458 . . . . 0.0 110.279 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 54.8 42.99 30.74 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.659 177.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -82.85 -1.64 90.62 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 121.162 -0.542 . . . . 0.0 113.032 -178.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.51 ' OD2' ' HB2' ' A' ' 110' ' ' GLU . 14.3 t70 73.82 129.07 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.472 0.709 . . . . 0.0 111.555 177.021 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -74.69 -25.43 59.15 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -174.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.51 ' HB2' ' OD2' ' A' ' 108' ' ' ASP . 0.6 OUTLIER -63.48 -24.19 67.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.758 0.313 . . . . 0.0 111.589 -173.722 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.494 ' HB3' HH11 ' A' ' 114' ' ' ARG . 72.6 mt -76.01 -21.98 56.3 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.027 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.706 HD11 HG21 ' A' ' 102' ' ' VAL . 94.2 mt -80.7 -13.92 58.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.083 0.468 . . . . 0.0 110.352 178.38 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -120.87 31.9 6.21 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.803 -173.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.606 HH21 ' HA ' ' A' ' 119' ' ' LEU . 64.9 mtm-85 -75.4 -88.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 175.308 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.719 ' O ' HD13 ' A' ' 119' ' ' LEU . 0.8 OUTLIER 175.93 158.3 0.25 Allowed 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 106.494 -1.669 . . . . 0.0 106.494 173.271 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 63.9 tp -63.46 -35.56 80.85 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 118.872 0.76 . . . . 0.0 109.823 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -79.88 -3.11 46.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.089 0.471 . . . . 0.0 110.888 175.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 49.3 mt -107.6 7.09 28.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.601 0.715 . . . . 0.0 110.057 175.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.719 HD13 ' O ' ' A' ' 115' ' ' GLU . 4.9 mp -101.11 91.18 4.42 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 172.532 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.874 HG22 ' H ' ' A' ' 121' ' ' SER . 7.4 p -108.33 -171.68 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.781 -170.353 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.874 ' H ' HG22 ' A' ' 120' ' ' VAL . 47.3 m -72.16 172.08 10.83 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 122.777 0.431 . . . . 0.0 111.23 -176.608 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -50.59 -41.86 55.03 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.374 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -74.24 92.66 2.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.038 0.447 . . . . 0.0 110.163 174.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -111.5 -37.98 5.07 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.545 174.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.91 ' HB3' ' HE1' ' A' ' 12' ' ' HIS . 24.4 t70 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.373 -0.822 . . . . 0.0 109.901 172.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -75.14 113.56 12.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.665 0.269 . . . . 0.0 110.375 176.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -92.7 141.23 28.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.978 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -87.43 -79.61 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 121.041 -0.264 . . . . 0.0 111.155 -178.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.2 p80 -179.81 155.42 0.63 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 0.0 110.941 -176.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.436 ' O ' ' HB2' ' A' ' 7' ' ' GLU . 19.5 t0 -78.49 170.66 16.28 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.939 -0.764 . . . . 0.0 108.939 170.431 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 6' ' ' ASP . 58.9 mm-40 70.84 96.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.773 0.797 . . . . 0.0 111.472 -178.186 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.2 ttp85 -116.93 -26.05 7.02 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.663 177.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.493 ' HD3' ' O ' ' A' ' 11' ' ' PHE . 1.3 ptp180 -112.77 140.42 47.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.583 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.7 ptt85 -93.34 11.34 28.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.974 0.416 . . . . 0.0 111.317 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.493 ' O ' ' HD3' ' A' ' 9' ' ' ARG . 56.9 m-85 -110.73 121.81 46.27 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 177.501 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -123.69 -59.59 1.52 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.971 0.415 . . . . 0.0 110.745 -177.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -142.95 163.41 32.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.589 -176.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.8 pt -103.05 89.07 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.787 0.803 . . . . 0.0 110.463 174.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.38 100.24 6.92 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.35 -0.841 . . . . 0.0 108.863 176.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -87.33 152.31 22.38 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.84 -171.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -78.0 64.96 3.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.697 0.76 . . . . 0.0 109.863 173.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.21 155.1 33.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.831 -174.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.506 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 6.9 m-20 -83.3 128.58 34.62 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 177.516 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 p -120.87 111.92 18.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.948 0.404 . . . . 0.0 111.306 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.666 ' HG2' ' HG2' ' A' ' 30' ' ' GLU . 37.5 mt-10 -114.94 135.77 53.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.374 177.555 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.533 HD11 HG21 ' A' ' 43' ' ' VAL . 90.2 mt -103.07 112.95 38.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.222 0.534 . . . . 0.0 109.951 175.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.457 HD11 ' HB2' ' A' ' 60' ' ' ARG . 3.1 mt -95.83 146.01 24.9 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.942 -176.694 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -143.87 84.26 1.78 Allowed 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 172.572 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.98 -96.29 0.16 Allowed Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.306 -0.861 . . . . 0.0 113.008 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -81.76 -24.63 35.92 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.386 -0.407 . . . . 0.0 111.552 -174.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -119.34 164.2 16.05 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.655 -169.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.462 ' O ' ' HD2' ' A' ' 28' ' ' ARG . 0.3 OUTLIER -147.85 133.09 18.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.292 175.777 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 27.8 m-90 -116.72 119.19 34.68 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.232 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.666 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 41.7 mt-10 -73.43 122.56 22.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.312 0.577 . . . . 0.0 110.499 176.229 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.635 HG23 ' HG3' ' A' ' 45' ' ' GLN . 11.2 p -120.78 162.86 19.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.415 -173.422 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.415 ' N ' HG22 ' A' ' 31' ' ' VAL . 7.5 mp -88.5 122.85 32.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.341 175.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.9 tp -70.78 146.47 49.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.04 175.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -135.59 -57.69 0.78 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.42 177.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.55 ' OD2' ' HG ' ' A' ' 119' ' ' LEU . 6.5 t70 -149.71 143.03 25.19 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 176.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.428 HG23 ' HB ' ' A' ' 41' ' ' ILE . 9.8 p -148.14 150.44 14.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 110.523 -0.177 . . . . 0.0 110.523 -173.569 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.437 ' OG ' ' HA ' ' A' ' 112' ' ' LEU . 10.3 t -166.99 -164.02 0.59 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.033 0.444 . . . . 0.0 111.064 -179.191 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 59.5 mt -88.2 8.85 25.14 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.72 -174.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -109.21 -12.69 14.76 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 121.703 0.763 . . . . 0.0 109.11 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.455 ' HA3' ' O ' ' A' ' 85' ' ' PHE . . . 142.13 -143.36 12.77 Favored Glycine 0 N--CA 1.44 -1.049 0 CA-C-N 114.593 -1.185 . . . . 0.0 111.111 -174.15 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.428 ' HB ' HG23 ' A' ' 36' ' ' VAL . 13.4 tt -165.33 144.27 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.703 0.252 . . . . 0.0 110.874 -174.13 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.4 tp -116.85 115.24 25.16 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.143 0.496 . . . . 0.0 109.786 174.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.533 HG21 HD11 ' A' ' 22' ' ' ILE . 14.2 m -119.19 176.96 2.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.572 -178.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -136.65 121.58 2.42 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.257 -0.973 . . . . 0.0 113.084 -178.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.635 ' HG3' HG23 ' A' ' 31' ' ' VAL . 36.1 mt-30 -117.68 167.69 10.65 Favored Pre-proline 0 C--N 1.324 -0.515 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 172.422 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.516 ' O ' ' HG3' ' A' ' 47' ' ' GLN . 39.1 Cg_exo -60.01 -64.09 0.11 Allowed 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 121.819 1.68 . . . . 0.0 110.604 169.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.516 ' HG3' ' O ' ' A' ' 46' ' ' PRO . 39.8 mt-30 -171.5 -170.92 0.86 Allowed 'General case' 0 C--O 1.233 0.236 0 O-C-N 124.084 0.865 . . . . 0.0 109.252 177.362 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 47' ' ' GLN . 1.1 m-20 77.31 152.72 0.13 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.647 0.981 . . . . 0.0 113.647 171.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.581 ' CZ2' HD13 ' A' ' 83' ' ' LEU . 9.0 m95 -153.2 -172.04 4.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.044 -1.434 . . . . 0.0 109.328 176.659 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -63.97 -40.62 96.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.742 0.306 . . . . 0.0 110.606 176.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 159.48 -41.87 0.47 Allowed Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.25 175.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -142.39 153.03 62.05 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-O 120.526 0.203 . . . . 0.0 110.533 -177.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -85.89 20.92 1.16 Allowed 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 123.239 2.626 . . . . 0.0 113.427 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -94.29 -3.62 50.24 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 176.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -92.97 112.45 56.07 Favored Pre-proline 0 N--CA 1.446 -0.673 0 CA-C-N 114.449 -1.251 . . . . 0.0 110.15 177.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -56.43 139.69 87.51 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 123.238 2.625 . . . . 0.0 112.233 177.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -111.8 158.06 19.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.447 -178.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -134.39 130.12 36.39 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.479 ' HB2' HD13 ' A' ' 73' ' ' ILE . . . -97.3 122.77 40.71 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.315 -179.527 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.457 ' HB2' HD11 ' A' ' 23' ' ' LEU . 50.8 ttp180 -114.53 105.17 12.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.669 179.052 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.892 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 70.7 mt -103.97 128.07 51.52 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.776 -175.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.506 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 62.9 m-85 -99.0 113.07 25.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.648 179.316 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -113.43 2.62 15.49 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.169 0.509 . . . . 0.0 109.801 174.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.85 -175.72 47.73 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.052 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.1 mp -68.04 -42.03 81.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.072 0.463 . . . . 0.0 110.04 177.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -100.78 -33.85 10.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.939 176.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.9 t -67.37 96.46 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.149 0.5 . . . . 0.0 110.817 -175.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.442 HD11 ' CG ' ' A' ' 60' ' ' ARG . 32.7 tp -121.78 122.31 39.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.285 -176.676 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.892 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 62.6 mt -99.84 106.67 19.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.07 178.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.2 ptp85 -107.39 127.69 53.81 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.263 178.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.433 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 23.2 ptm -142.74 122.66 13.55 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.093 0.473 . . . . 0.0 110.657 177.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -71.11 126.26 29.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.297 177.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.66 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 14.5 pt -132.27 151.65 35.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.48 0.657 . . . . 0.0 111.962 -173.186 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.59 ' HB3' ' NE2' ' A' ' 88' ' ' GLN . 10.8 p -112.16 138.15 49.23 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.65 174.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 43.8 tp -74.74 103.17 4.91 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.18 -44.79 12.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.349 -175.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 63.3 p-90 -151.46 146.94 26.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.967 0.413 . . . . 0.0 110.961 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -131.27 99.15 4.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.646 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.648 ' HB3' ' HB2' ' A' ' 82' ' ' LEU . 16.9 tpt180 -84.03 67.63 9.74 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.106 176.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.7 t70 63.17 -85.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.405 -176.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -98.16 -22.35 15.38 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.39 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.648 ' HB2' ' HB3' ' A' ' 79' ' ' ARG . 81.4 mt -84.59 113.49 21.29 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -179.33 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.581 HD13 ' CZ2' ' A' ' 49' ' ' TRP . 34.0 mt -108.78 110.51 21.91 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -172.348 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -99.28 117.11 5.77 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.054 -0.594 . . . . 0.0 112.026 -178.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.66 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 97.5 m-85 -109.14 146.81 33.48 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.933 0.397 . . . . 0.0 111.022 -178.371 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -104.13 149.13 25.51 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.151 175.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 8.3 p -78.48 119.79 22.28 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.97 0.415 . . . . 0.0 111.777 -176.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.59 ' NE2' ' HB3' ' A' ' 74' ' ' SER . 94.4 mt-30 -96.3 -35.85 11.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.652 175.712 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -167.42 100.53 0.5 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.893 0.378 . . . . 0.0 111.025 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 37.9 mt -89.9 121.08 39.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 175.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.436 ' O ' HG13 ' A' ' 95' ' ' ILE . 18.7 t70 -66.75 150.45 49.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.808 0.337 . . . . 0.0 111.188 -175.542 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 72.3 mt -61.8 -39.05 90.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.61 -176.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -66.74 -40.92 88.52 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.569 ' HB3' HG23 ' A' ' 69' ' ' ILE . 15.3 m -59.11 -47.44 85.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.765 176.39 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 91' ' ' ASP . 73.5 mt -60.3 -43.65 94.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.448 178.563 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 44.5 m -59.15 -44.78 92.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.844 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -69.7 -38.03 76.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.93 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.5 tp -66.48 -41.98 88.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.656 0.265 . . . . 0.0 110.988 -179.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -60.26 -43.97 95.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.01 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.605 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -67.38 -39.74 85.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.573 177.52 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.5 tp -61.37 -46.3 90.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.273 -177.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.461 HG21 HD11 ' A' ' 112' ' ' LEU . 59.4 t -66.1 -36.72 78.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 177.081 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -59.62 -40.32 87.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.793 176.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 85.2 mt -73.46 -8.85 57.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.385 -178.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -106.89 -30.32 8.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.072 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 88.9 mt 62.72 19.7 11.58 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.576 0.547 . . . . 0.0 111.125 -178.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -87.62 53.77 4.35 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.577 -176.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 63.61 111.31 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.73 0.776 . . . . 0.0 112.546 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.444 ' H ' ' CD ' ' A' ' 109' ' ' GLU . 0.3 OUTLIER -73.93 -17.43 61.02 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 173.15 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.59 -28.11 69.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.324 177.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.499 HD22 HH11 ' A' ' 114' ' ' ARG . 43.6 mt -65.36 -20.71 66.51 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.07 0.462 . . . . 0.0 110.508 179.435 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.461 HD11 HG21 ' A' ' 102' ' ' VAL . 95.2 mt -75.27 -8.16 55.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.07 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -122.43 30.94 6.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.698 0.285 . . . . 0.0 111.448 -177.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.5 HH21 ' HG ' ' A' ' 119' ' ' LEU . 29.2 mtm180 -85.22 -159.07 0.41 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 173.692 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.47 ' O ' HD13 ' A' ' 119' ' ' LEU . 5.2 tm-20 -116.28 156.95 25.72 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 174.245 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 67.6 tp -54.99 -40.07 69.7 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 117.919 0.327 . . . . 0.0 111.797 -176.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.41 -16.27 63.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.722 0.296 . . . . 0.0 111.738 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 88.5 mt -87.27 -14.97 39.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.235 0.541 . . . . 0.0 110.296 176.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.55 ' HG ' ' OD2' ' A' ' 35' ' ' ASP . 9.8 mp -84.66 79.65 9.52 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 175.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 15.6 t -96.28 149.85 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.421 -173.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 74.4 m -79.3 172.09 14.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.18 177.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -39.88 -48.56 2.33 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.216 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -101.66 135.51 43.05 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 171.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -92.51 -11.54 34.32 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -174.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.0 t70 . . . . . 0 C--O 1.245 0.839 0 CA-C-O 118.465 -0.779 . . . . 0.0 110.07 177.382 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.48 1.025 0 CA-C-O 120.956 0.408 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 p -161.73 137.61 7.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.61 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -78.93 121.24 24.63 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 176.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -88.52 90.45 8.41 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.277 0.561 . . . . 0.0 110.355 -176.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -92.5 75.21 5.15 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.062 176.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -111.21 -31.66 7.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.415 -176.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.59 ' HB3' ' HG2' ' A' ' 9' ' ' ARG . 35.1 mt-10 -91.62 149.97 21.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.985 -174.444 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 8' ' ' ARG . 15.4 ptt180 -116.92 3.95 12.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.785 173.258 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.59 ' HG2' ' HB3' ' A' ' 7' ' ' GLU . 1.4 ptp180 -67.68 133.19 48.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.274 177.716 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.458 ' HB3' ' H ' ' A' ' 11' ' ' PHE . 95.2 mtt180 -105.78 -154.1 0.51 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.829 -179.741 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.458 ' H ' ' HB3' ' A' ' 10' ' ' ARG . 28.3 m-85 -63.15 99.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.213 -175.56 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -109.0 123.67 49.5 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 174.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.574 ' HB3' ' OD1' ' A' ' 35' ' ' ASP . 5.6 mtm180 -79.64 -175.85 5.03 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.882 -178.461 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.67 ' O ' ' HA ' ' A' ' 35' ' ' ASP . 48.3 mm -77.33 89.34 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.845 0.831 . . . . 0.0 111.504 -168.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -150.97 108.99 3.71 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.425 177.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -95.54 165.25 12.43 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -78.66 47.58 0.74 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.765 0.793 . . . . 0.0 110.271 176.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.444 ' HB1' ' O ' ' A' ' 62' ' ' TYR . . . -107.9 174.14 6.01 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.389 -177.336 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.52 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 5.2 m-20 -93.52 130.17 39.48 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 177.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 p -126.94 110.93 13.53 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.956 0.408 . . . . 0.0 111.0 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -112.03 142.13 44.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.476 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 74.9 mt -100.32 124.56 53.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 171.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.532 ' HB2' ' HB2' ' A' ' 58' ' ' GLU . 39.5 mt -112.33 163.51 14.32 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.021 0.439 . . . . 0.0 110.93 -174.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -146.77 72.78 1.29 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 170.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.02 -60.29 2.65 Favored Glycine 0 CA--C 1.522 0.48 0 CA-C-N 115.155 -0.929 . . . . 0.0 113.127 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -121.82 -45.39 2.28 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -172.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 mtm180 -86.41 149.83 24.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.802 0.335 . . . . 0.0 111.307 -172.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -126.2 130.29 50.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.195 -172.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 16.8 m-90 -127.1 106.83 9.53 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.521 0.2 . . . . 0.0 110.775 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -68.7 120.63 14.98 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.4 p -126.79 153.01 35.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.368 -0.378 . . . . 0.0 109.989 -177.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.505 HD13 ' HG3' ' A' ' 45' ' ' GLN . 9.3 mp -80.9 126.97 32.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.729 0.299 . . . . 0.0 110.681 178.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.0 tp -76.93 140.0 40.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.834 176.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -122.74 -36.54 2.88 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 177.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.67 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 12.7 t70 -163.89 160.98 22.74 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 172.062 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.1 p -157.09 124.91 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.136 0.493 . . . . 0.0 110.17 178.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 69.9 p -132.6 -173.11 3.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.111 0.481 . . . . 0.0 111.254 -175.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.63 HD12 HD12 ' A' ' 90' ' ' ILE . 52.7 tp -79.5 -3.86 48.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.518 0.675 . . . . 0.0 110.661 -177.587 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.414 ' ND1' ' HA ' ' A' ' 115' ' ' GLU . 2.6 m80 -102.7 -30.72 10.73 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 122.17 0.986 . . . . 0.0 109.221 -175.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.642 ' HA2' ' SG ' ' A' ' 87' ' ' CYS . . . 171.08 178.74 41.8 Favored Glycine 0 N--CA 1.436 -1.313 0 CA-C-N 113.755 -1.566 . . . . 0.0 111.449 -174.088 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.9 tt -123.22 138.81 51.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-O 120.96 0.41 . . . . 0.0 109.985 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.8 tp -114.05 100.72 8.6 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.295 0.569 . . . . 0.0 110.411 -177.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.5 m -105.71 -175.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 176.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -179.9 121.92 0.76 Allowed Glycine 0 N--CA 1.442 -0.949 0 C-N-CA 119.298 -1.43 . . . . 0.0 113.328 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.505 ' HG3' HD13 ' A' ' 32' ' ' LEU . 1.2 tm0? 177.64 -58.33 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.432 0 O-C-N 124.505 0.767 . . . . 0.0 109.98 176.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.459 ' HD3' ' CB ' ' A' ' 45' ' ' GLN . 2.1 Cg_endo -81.85 149.94 16.12 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 122.288 1.992 . . . . 0.0 112.214 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -116.1 -13.93 11.18 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.338 177.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.95 163.33 22.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.584 179.038 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -134.47 -179.06 5.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.005 0.431 . . . . 0.0 111.58 -176.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -76.37 -33.3 58.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.402 -178.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -138.01 -86.9 0.17 Allowed Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.35 -177.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.434 ' HB2' ' HG2' ' A' ' 55' ' ' ARG . 22.0 m-20 -142.71 154.59 62.94 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -174.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_exo -60.68 -20.18 64.11 Favored 'Trans proline' 0 CA--C 1.529 0.234 0 C-N-CA 123.136 2.557 . . . . 0.0 111.794 170.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -87.41 3.11 48.4 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.165 -176.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.434 ' HG2' ' HB2' ' A' ' 52' ' ' ASP . 21.4 mmt180 -86.12 130.93 48.19 Favored Pre-proline 0 N--CA 1.449 -0.507 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.052 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -49.14 116.64 2.34 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.413 2.742 . . . . 0.0 112.675 177.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.415 ' CD1' ' HE2' ' A' ' 85' ' ' PHE . 27.6 m-85 -108.53 143.27 37.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.102 -179.389 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.532 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 35.6 mt-10 -116.32 150.68 37.28 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 178.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.459 ' HB3' ' CG ' ' A' ' 71' ' ' MET . . . -116.82 126.01 52.41 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 120.781 0.324 . . . . 0.0 110.293 176.031 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -120.09 105.3 10.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.564 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.766 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 77.8 mt -101.97 130.44 48.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.925 -174.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.52 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 42.6 m-85 -103.9 93.5 4.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.602 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.51 HD23 HD22 ' A' ' 101' ' ' LEU . 9.9 mp -93.07 -5.92 49.3 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.639 0.733 . . . . 0.0 109.585 177.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.77 175.88 44.45 Favored Glycine 0 N--CA 1.44 -1.046 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.628 177.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.3 mp -69.8 -30.19 67.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.075 0.464 . . . . 0.0 110.312 177.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -110.56 3.98 19.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.81 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.2 t -114.7 85.84 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.933 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 45.0 tp -107.89 129.83 55.06 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.121 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.766 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 56.9 mt -113.59 123.05 68.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.637 178.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.2 ptt85 -116.35 144.54 44.13 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 173.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.459 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 15.8 ptm -158.58 140.18 13.52 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.202 178.111 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.537 ' HB2' ' HB3' ' A' ' 89' ' ' HIS . 2.3 mp0 -93.01 123.29 36.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.299 -177.44 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 23.3 pt -128.88 171.61 16.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.046 -176.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.0 t -140.41 135.88 32.51 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 175.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 44.2 tp -71.57 112.74 7.93 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.093 0.473 . . . . 0.0 110.931 -176.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.14 -55.83 3.64 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.918 -177.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 64.3 p-90 -141.25 142.49 33.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.863 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -137.23 120.35 16.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.019 177.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.0 ttt180 -145.69 138.28 25.76 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.856 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 57.38 -102.98 0.16 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.733 0.646 . . . . 0.0 110.791 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.418 ' O ' HD23 ' A' ' 82' ' ' LEU . . . -133.92 34.51 2.38 Favored Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 175.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.418 HD23 ' O ' ' A' ' 81' ' ' GLY . 82.4 mt -131.99 125.94 32.76 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.0 mp -129.97 119.37 23.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.061 0.458 . . . . 0.0 110.854 -177.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -101.43 119.34 6.46 Favored Glycine 0 N--CA 1.444 -0.823 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.88 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.415 ' HE2' ' CD1' ' A' ' 57' ' ' PHE . 28.1 m-85 -105.15 140.68 37.95 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -85.14 141.44 30.19 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 173.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.642 ' SG ' ' HA2' ' A' ' 40' ' ' GLY . 34.6 m -86.66 107.5 18.22 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 120.921 0.391 . . . . 0.0 110.584 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -81.64 -50.27 9.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.636 -178.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.537 ' HB3' ' HB2' ' A' ' 72' ' ' GLU . 8.3 t60 -138.32 98.33 3.58 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.565 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.63 HD12 HD12 ' A' ' 38' ' ' LEU . 25.0 mt -93.96 106.68 18.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 169.045 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -70.58 160.83 31.79 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.987 -172.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.417 HD12 ' N ' ' A' ' 92' ' ' LEU . 6.6 mp -62.82 -36.2 82.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.273 -178.32 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -64.93 -37.73 88.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.83 177.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 35.7 t -63.51 -52.18 62.35 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.33 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 65.8 mt -58.45 -40.21 77.62 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.388 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.64 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 54.7 m -56.33 -53.41 57.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.239 -178.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -67.03 -46.31 74.81 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -176.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.9 -47.51 82.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.01 0.433 . . . . 0.0 110.872 -178.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.415 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 15.8 tpp180 -58.55 -44.53 89.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.007 -179.485 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.545 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 2.1 mmp_? -55.01 -50.89 67.9 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.271 0.357 . . . . 0.0 111.117 179.109 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.51 HD22 HD23 ' A' ' 63' ' ' LEU . 34.8 tp -64.6 -40.6 95.8 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.317 -178.692 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 37.5 t -53.71 -48.81 60.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.568 177.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 99' ' ' ARG . 40.2 mt-10 -64.94 -43.41 92.82 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.391 -178.488 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 75.3 mt -70.1 -35.32 74.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.48 -177.23 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -88.66 0.73 56.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.557 -179.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 26.0 tp 61.6 40.93 12.89 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.615 0.722 . . . . 0.0 110.376 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -73.52 103.22 1.39 Allowed Glycine 0 N--CA 1.44 -1.066 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 175.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -49.41 129.71 19.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.765 0.317 . . . . 0.0 110.49 175.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.1 -9.85 58.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.975 -175.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -50.63 -53.62 29.33 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.741 0.305 . . . . 0.0 110.576 -179.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.554 HD13 ' HA ' ' A' ' 13' ' ' ARG . 54.1 mt -58.8 -45.14 90.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.86 -178.362 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.56 -22.16 66.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.536 -176.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -121.01 26.26 9.15 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.505 -169.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.44 ' HB3' ' H ' ' A' ' 115' ' ' GLU . 17.8 ttm180 -93.3 -100.2 0.14 Allowed 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 174.447 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.482 ' HB2' HD12 ' A' ' 118' ' ' LEU . 0.4 OUTLIER -169.33 157.8 7.71 Favored 'General case' 0 C--O 1.223 -0.328 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 170.111 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.401 ' H ' ' CD ' ' A' ' 115' ' ' GLU . 63.4 tp -59.75 -47.4 85.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.993 0.425 . . . . 0.0 110.012 177.219 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.61 -12.54 61.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.295 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.482 HD12 ' HB2' ' A' ' 115' ' ' GLU . 76.4 mt -96.8 -6.16 36.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.104 0.478 . . . . 0.0 110.354 177.146 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.5 mp -104.18 158.64 16.3 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.517 -177.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.2 p -151.61 150.07 13.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 63.9 m -68.3 172.28 6.12 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.057 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.519 ' HA ' HH21 ' A' ' 13' ' ' ARG . . . -48.76 -27.6 3.06 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -176.355 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -87.24 76.4 9.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.311 0.577 . . . . 0.0 111.201 177.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 24.1 p-10 -114.65 -3.09 12.92 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 165.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 9.3 t70 . . . . . 0 C--O 1.251 1.164 0 CA-C-N 113.77 -1.559 . . . . 0.0 108.905 174.672 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ttt . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 120.985 0.421 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 m -141.54 -174.43 4.05 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 176.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -68.88 96.12 0.74 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 171.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -91.8 -5.17 53.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.913 -173.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -76.13 145.0 40.29 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -177.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -145.31 -53.46 0.28 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.939 -178.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.58 145.99 13.99 Favored 'General case' 0 C--O 1.236 0.362 0 O-C-N 123.777 0.673 . . . . 0.0 111.479 -172.194 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.479 ' H ' ' HG2' ' A' ' 8' ' ' ARG . 1.0 OUTLIER -118.69 -9.03 10.29 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.524 -1.216 . . . . 0.0 111.321 -168.321 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -132.95 -63.1 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.107 0.48 . . . . 0.0 111.231 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.462 ' HB3' ' NE2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -168.37 146.28 4.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.489 -173.126 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -66.69 103.69 1.14 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.101 0.477 . . . . 0.0 110.981 -177.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.489 ' O ' ' HB3' ' A' ' 105' ' ' ASN . 96.0 m-70 -131.1 82.11 2.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.339 176.441 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -130.3 -96.09 0.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 174.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.8 tp -108.76 155.95 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 168.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.415 ' HB2' ' HA ' ' A' ' 35' ' ' ASP . . . 70.9 -53.9 0.67 Allowed 'General case' 0 N--CA 1.472 0.665 0 O-C-N 123.491 0.495 . . . . 0.0 110.523 -172.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.6 p90 47.42 -169.67 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 171.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -94.27 101.11 13.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.371 178.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.08 139.19 44.53 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.64 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.557 ' HB3' ' HB2' ' A' ' 62' ' ' TYR . 7.3 t70 -84.58 113.38 21.21 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 174.511 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.3 t -114.45 137.6 51.64 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.32 0.581 . . . . 0.0 111.834 -171.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.458 ' HB2' ' HB2' ' A' ' 28' ' ' ARG . 8.1 pt-20 -136.23 130.47 33.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.896 172.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.48 ' O ' ' HE3' ' A' ' 29' ' ' TRP . 86.9 mt -98.9 116.34 41.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.892 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.531 ' HB2' ' HB2' ' A' ' 58' ' ' GLU . 3.9 mt -96.03 164.19 12.81 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.186 0.517 . . . . 0.0 110.933 -174.297 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -144.59 74.36 1.41 Allowed 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.171 -0.922 . . . . 0.0 108.619 166.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.71 -53.4 4.85 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.423 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -135.09 -54.42 0.8 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.673 0.273 . . . . 0.0 111.637 -175.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -78.91 155.5 29.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.047 -173.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.458 ' HB2' ' HB2' ' A' ' 21' ' ' GLU . 33.9 ptt180 -133.46 131.34 39.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.482 0.658 . . . . 0.0 111.848 -178.224 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.548 ' HZ2' ' HB3' ' A' ' 50' ' ' ASN . 28.0 m-90 -95.99 114.11 25.79 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.949 173.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -69.25 129.25 39.3 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 174.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.7 p -147.82 148.13 16.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.533 -175.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.3 mp -84.89 124.18 31.33 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.189 176.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.5 tp -72.43 141.15 48.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.147 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -124.79 -19.15 5.38 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.456 179.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.415 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . 7.6 t70 -175.48 158.84 2.33 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 172.568 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.3 p -160.4 141.39 3.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.876 0.369 . . . . 0.0 110.542 -177.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.9 p -158.7 -166.48 1.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.823 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.9 mt -101.54 20.16 16.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.341 0.591 . . . . 0.0 110.569 -177.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -141.89 15.97 2.12 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.765 177.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.81 162.41 9.88 Favored Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.349 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.471 ' CG2' ' HB2' ' A' ' 85' ' ' PHE . 7.7 tt -137.94 133.5 44.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.283 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.66 HD11 ' HB3' ' A' ' 82' ' ' LEU . 43.2 tp -112.99 122.33 47.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.151 0.501 . . . . 0.0 110.797 -175.537 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.4 m -126.7 166.37 23.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.777 178.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -115.46 93.73 0.63 Allowed Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 176.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.827 ' HB3' HD12 ' A' ' 83' ' ' LEU . 49.7 tt0 -115.79 113.05 42.46 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-O 121.007 0.432 . . . . 0.0 111.937 -170.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 45' ' ' GLN . 1.9 Cg_endo -83.71 -9.69 9.87 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 123.529 2.819 . . . . 0.0 111.534 171.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -73.12 138.34 45.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.114 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -79.45 148.01 32.07 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.551 -173.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.541 ' HA ' ' CE3' ' A' ' 49' ' ' TRP . 4.5 m95 -75.71 134.14 40.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.372 177.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.548 ' HB3' ' HZ2' ' A' ' 29' ' ' TRP . 28.2 p-10 -65.48 -32.03 73.42 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.43 -171.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -142.37 -69.1 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.36 -0.924 . . . . 0.0 112.074 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -152.01 138.62 11.99 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.479 ' O ' ' HB3' ' A' ' 75' ' ' LEU . 20.0 Cg_endo -61.66 -18.05 57.99 Favored 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 123.006 2.471 . . . . 0.0 113.927 -178.373 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -81.37 0.44 37.32 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.908 -0.495 . . . . 0.0 110.968 -177.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.8 mtp85 -79.18 147.05 68.49 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 175.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -65.52 131.95 29.55 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.644 2.229 . . . . 0.0 112.707 -176.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.412 ' HB2' HG13 ' A' ' 73' ' ' ILE . 70.4 m-85 -119.43 166.19 13.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.021 179.179 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.531 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 29.8 mt-10 -127.31 131.79 50.39 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.607 ' O ' ' HA ' ' A' ' 70' ' ' ARG . . . -98.85 108.41 21.09 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 121.135 -0.226 . . . . 0.0 110.476 179.403 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.504 ' HA ' ' O ' ' A' ' 69' ' ' ILE . 37.5 ttp180 -113.77 111.53 21.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.093 0.473 . . . . 0.0 110.2 177.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.655 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 81.8 mt -105.62 125.45 51.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.268 -176.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.557 ' HB2' ' HB3' ' A' ' 19' ' ' ASP . 58.4 m-85 -93.38 111.29 22.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.218 175.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.813 HD13 HD22 ' A' ' 101' ' ' LEU . 80.2 mt -107.81 -10.03 15.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.515 0.674 . . . . 0.0 110.094 177.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 177.2 -162.34 30.39 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.498 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.9 mp -90.78 -16.32 28.58 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 117.159 0.48 . . . . 0.0 110.46 177.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -108.01 -42.09 4.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.995 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.9 t -84.32 96.83 4.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.053 0.454 . . . . 0.0 111.1 -177.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.5 tp -116.99 120.62 38.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.598 176.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.655 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 62.7 mt -99.06 138.36 23.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.539 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.607 ' HA ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -143.17 143.83 31.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.682 -0.236 . . . . 0.0 110.422 175.239 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.461 ' HA ' ' NH2' ' A' ' 70' ' ' ARG . 25.9 ptt? -161.82 152.92 18.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.356 175.497 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.53 ' HB2' ' HB3' ' A' ' 89' ' ' HIS . 57.5 mp0 -86.04 129.43 34.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.894 0.378 . . . . 0.0 110.442 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.523 HG22 ' HA ' ' A' ' 87' ' ' CYS . 19.0 pt -133.07 163.58 37.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -177.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.3 t -139.45 136.63 34.84 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 175.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.479 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 1.5 tm? -76.72 112.49 13.35 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -177.609 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -123.18 -4.72 8.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.409 0.623 . . . . 0.0 110.223 176.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.542 ' CZ3' ' HB2' ' A' ' 79' ' ' ARG . 9.8 t90 -132.28 134.34 45.16 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-O 122.116 0.96 . . . . 0.0 109.483 -177.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.433 ' HB2' HD11 ' A' ' 75' ' ' LEU . . . -155.04 99.38 2.1 Favored 'General case' 0 C--N 1.284 -2.274 0 CA-C-N 113.715 -1.584 . . . . 0.0 110.632 -175.093 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.542 ' HB2' ' CZ3' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -103.42 76.18 1.4 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.672 178.268 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 36.9 t70 63.07 -88.52 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.349 -177.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -108.23 -12.12 22.46 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.386 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.66 ' HB3' HD11 ' A' ' 42' ' ' LEU . 96.2 mt -88.08 112.91 23.19 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 176.279 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.827 HD12 ' HB3' ' A' ' 45' ' ' GLN . 95.1 mt -102.59 122.39 44.29 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.782 -175.249 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -109.71 107.79 2.41 Favored Glycine 0 N--CA 1.444 -0.825 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.764 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.516 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 57.8 m-85 -93.16 128.52 39.14 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.31 138.27 33.62 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 173.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.523 ' HA ' HG22 ' A' ' 73' ' ' ILE . 3.7 p -84.82 114.25 21.95 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.017 -175.151 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -82.74 -55.24 4.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.462 -178.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.53 ' HB3' ' HB2' ' A' ' 72' ' ' GLU . 28.6 t60 -126.49 112.26 15.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.364 -176.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.423 HD11 ' HB2' ' A' ' 87' ' ' CYS . 1.9 mp -118.18 115.79 49.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.996 176.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.401 ' O ' HG13 ' A' ' 95' ' ' ILE . 5.3 p-10 -83.04 159.9 22.07 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.807 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 40.8 tp -62.93 -29.96 71.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.155 -177.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.68 -47.93 70.88 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.2 t -56.13 -49.34 74.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.226 175.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 91' ' ' ASP . 77.1 mt -57.65 -48.6 82.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.439 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.3 p -64.2 -37.93 89.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.69 -175.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -69.72 -43.78 71.68 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.54 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -66.14 -53.93 31.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.225 -177.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -57.85 -46.41 84.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.55 -178.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.596 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 30.5 ttt180 -65.84 -36.19 82.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.131 -173.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.813 HD22 HD13 ' A' ' 63' ' ' LEU . 25.4 tp -64.7 -40.83 96.03 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.503 179.103 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 56.2 t -60.74 -39.26 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.265 177.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -68.53 -35.14 77.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.769 177.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 93.5 mt -72.25 -20.78 61.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.299 -178.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.489 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 48.9 m-80 -118.04 8.81 12.56 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -175.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 31.0 tp 57.35 46.53 18.21 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.472 0.653 . . . . 0.0 110.779 178.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.427 ' O ' HD12 ' A' ' 111' ' ' LEU . . . -80.2 -4.38 89.81 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.602 -0.727 . . . . 0.0 113.032 -177.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.7 t70 74.87 126.6 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.239 0.616 . . . . 0.0 111.508 178.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -78.13 -15.62 58.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.455 -174.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -80.06 -30.32 39.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.689 0.28 . . . . 0.0 110.623 -177.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 107' ' ' GLY . 75.1 mt -62.89 -26.27 68.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.266 0.555 . . . . 0.0 110.34 176.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.428 ' O ' HD23 ' A' ' 112' ' ' LEU . 9.9 tt -75.15 -18.75 60.14 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.178 177.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -109.95 26.8 10.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.653 -171.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -78.14 -157.51 0.11 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 167.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.541 ' O ' HD13 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -128.13 158.88 36.8 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 172.701 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.468 HD21 ' HB2' ' A' ' 77' ' ' TRP . 29.9 tp -50.39 -45.39 55.45 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.088 0.243 . . . . 0.0 111.356 178.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.48 -7.27 36.57 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 178.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.424 ' HB2' ' H ' ' A' ' 115' ' ' GLU . 49.4 mt -107.8 -8.51 16.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.641 0.258 . . . . 0.0 110.628 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.541 HD13 ' O ' ' A' ' 115' ' ' GLU . 2.5 mp -79.75 97.13 6.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.495 0.664 . . . . 0.0 111.401 -173.478 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 20.7 t -90.89 154.91 3.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.842 174.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.0 p -62.93 171.67 2.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.738 0.304 . . . . 0.0 111.63 -178.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -46.55 -35.33 5.69 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.132 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -110.39 144.23 39.46 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 174.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -131.96 136.65 47.49 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 177.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 28.1 t70 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.543 -0.742 . . . . 0.0 109.659 -179.639 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.922 0.391 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.2 m -135.49 118.07 15.93 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.286 176.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -102.79 97.8 7.91 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -101.9 45.0 0.98 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.641 0.734 . . . . 0.0 110.703 -175.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -92.47 -18.02 23.75 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.039 175.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.2 t70 70.8 127.12 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.841 -174.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -101.19 172.37 7.04 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -167.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 8' ' ' ARG . 13.5 mtm180 73.79 175.76 0.26 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-N 114.339 -1.301 . . . . 0.0 112.927 168.269 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.9 mtt85 -81.61 95.32 7.13 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.66 -178.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.462 ' HA ' ' HD2' ' A' ' 10' ' ' ARG . 15.2 tpt180 -87.61 102.5 14.67 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 175.292 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -80.42 129.91 34.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.064 -175.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -128.51 -48.82 1.28 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.841 173.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.428 ' HB3' ' OD2' ' A' ' 35' ' ' ASP . 65.5 mtt180 -130.53 -176.09 3.86 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.435 176.142 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.61 ' O ' ' HA ' ' A' ' 35' ' ' ASP . 50.2 mm -69.9 93.9 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.661 0.743 . . . . 0.0 112.193 -168.728 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.67 123.25 11.78 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.52 175.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -120.01 -173.24 2.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.942 -177.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -83.17 13.79 3.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.077 0.465 . . . . 0.0 110.22 174.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.582 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -75.96 119.42 19.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.953 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -86.27 137.88 32.28 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 171.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.523 ' HA ' ' O ' ' A' ' 60' ' ' ARG . 22.8 t -116.08 131.61 56.89 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.861 -172.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.574 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 51.5 mt-10 -107.87 126.51 52.75 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.744 176.729 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.541 HG21 ' HH2' ' A' ' 49' ' ' TRP . 70.8 mt -99.8 107.52 20.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 170.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.695 ' HG ' ' HB2' ' A' ' 58' ' ' GLU . 0.3 OUTLIER -117.46 163.49 16.3 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.169 -178.946 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -142.42 70.84 1.33 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.999 178.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.96 -68.6 2.25 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.292 -0.867 . . . . 0.0 113.282 -179.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.475 ' HG2' ' HG3' ' A' ' 27' ' ' ARG . 38.1 tt0 -89.21 -64.03 1.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -174.034 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.475 ' HG3' ' HG2' ' A' ' 26' ' ' GLU . 46.2 mtt85 -106.79 157.36 17.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.982 0.42 . . . . 0.0 111.796 -170.317 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.593 ' HG2' ' HB3' ' A' ' 23' ' ' LEU . 35.6 mtt-85 -129.45 132.55 46.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.21 -173.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 26.2 m-90 -130.93 117.71 19.63 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.574 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 0.5 OUTLIER -77.33 152.55 34.45 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.338 0.589 . . . . 0.0 110.798 -177.757 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.5 p -135.5 157.67 39.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.699 -172.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.4 mt -80.93 120.99 25.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.889 178.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.6 tp -73.75 134.24 43.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.775 175.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -120.75 -37.16 3.04 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.499 178.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.61 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 6.4 t70 -168.91 162.21 11.14 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 173.191 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.454 HG23 ' HB ' ' A' ' 41' ' ' ILE . 8.1 p -161.85 142.44 3.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.082 0.468 . . . . 0.0 110.743 -178.501 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.427 ' HB2' ' O ' ' A' ' 112' ' ' LEU . 69.9 p -134.33 -174.33 3.53 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.256 179.305 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.408 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 50.2 tp -79.06 -1.98 38.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.72 0.771 . . . . 0.0 109.979 176.661 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.58 ' ND1' ' HA ' ' A' ' 115' ' ' GLU . 5.4 m170 -105.5 -45.26 4.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.749 -175.099 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.484 ' HA3' HD13 ' A' ' 116' ' ' LEU . . . -164.82 168.63 39.15 Favored Glycine 0 N--CA 1.444 -0.832 0 CA-C-N 114.495 -1.23 . . . . 0.0 112.289 -178.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.454 ' HB ' HG23 ' A' ' 36' ' ' VAL . 13.4 tt -121.75 138.47 51.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.755 0.312 . . . . 0.0 110.465 -178.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.552 HD11 ' HB3' ' A' ' 82' ' ' LEU . 65.7 tp -112.84 111.22 21.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.178 0.514 . . . . 0.0 110.145 179.02 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.2 m -116.21 171.21 5.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.755 -179.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.466 ' HA2' ' O ' ' A' ' 81' ' ' GLY . . . -131.07 118.51 2.43 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.461 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -108.05 154.07 41.39 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 178.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -60.6 -64.67 0.09 OUTLIER 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.698 2.265 . . . . 0.0 112.262 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -164.79 -46.07 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -67.74 146.21 53.98 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -172.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.76 ' HE3' ' HA ' ' A' ' 49' ' ' TRP . 0.0 OUTLIER -151.68 -170.42 3.65 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.186 -178.365 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -88.19 -65.12 1.05 Allowed 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 121.183 -0.207 . . . . 0.0 111.087 -177.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.57 -60.31 0.04 OUTLIER Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 119.935 -1.126 . . . . 0.0 112.972 176.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -139.14 154.17 72.03 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-O 120.604 0.24 . . . . 0.0 110.892 -173.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.458 ' HA ' HD23 ' A' ' 75' ' ' LEU . 83.4 Cg_endo -81.13 -1.3 11.08 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.954 2.436 . . . . 0.0 113.737 -176.321 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -81.44 -18.09 46.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.368 0.604 . . . . 0.0 109.628 -178.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 66.3 mtt85 -83.48 124.84 75.18 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.443 176.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.28 158.23 58.45 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 123.129 2.553 . . . . 0.0 112.788 -176.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.448 ' CD1' ' HE1' ' A' ' 85' ' ' PHE . 71.5 m-85 -133.0 160.99 35.54 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -175.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.695 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 34.0 mt-10 -116.16 130.92 57.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.952 179.083 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.444 ' HB2' HD13 ' A' ' 73' ' ' ILE . . . -119.22 127.94 53.74 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.856 0.36 . . . . 0.0 110.762 178.658 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.664 ' HG3' HD21 ' A' ' 23' ' ' LEU . 35.6 mtm180 -118.12 136.7 53.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.807 175.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.876 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 95.1 mt -116.38 120.08 37.7 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.961 -177.527 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.582 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 68.6 m-85 -86.75 90.91 8.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.394 175.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.603 ' HG ' HD22 ' A' ' 101' ' ' LEU . 10.9 mp -85.25 -29.56 24.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.398 0.618 . . . . 0.0 109.766 179.039 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -162.04 -172.02 28.9 Favored Glycine 0 N--CA 1.442 -0.955 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -73.86 -39.05 64.26 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.204 0.526 . . . . 0.0 109.613 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -97.75 -8.88 27.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.831 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.9 t -106.49 88.77 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.126 0.489 . . . . 0.0 110.904 -176.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 62.3 tp -104.45 111.57 24.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.57 175.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.876 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 49.1 mm -90.5 135.96 25.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.64 -177.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -119.84 144.72 47.21 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.3 ptm -155.23 127.94 8.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.484 0.659 . . . . 0.0 111.272 178.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.51 ' HB3' ' HB3' ' A' ' 89' ' ' HIS . 9.6 tp10 -78.27 123.11 26.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.378 176.181 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.786 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 28.0 pt -130.23 141.75 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.45 0.643 . . . . 0.0 112.454 -175.173 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.2 t -114.94 124.27 51.26 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 173.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 53' ' ' PRO . 28.9 tp -66.13 106.72 1.71 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.061 0.458 . . . . 0.0 110.576 -176.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.59 -44.73 12.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.151 -175.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 60.4 p-90 -150.45 138.95 20.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.996 0.427 . . . . 0.0 111.028 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -134.12 113.15 11.75 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.906 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 79' ' ' ARG . 20.2 ttt180 -136.31 133.2 36.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.052 -178.136 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.5 t70 66.77 -80.12 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.375 0 O-C-N 124.11 0.881 . . . . 0.0 110.626 178.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.466 ' O ' ' HA2' ' A' ' 44' ' ' GLY . . . -152.63 -1.26 0.21 Allowed Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 175.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.552 ' HB3' HD11 ' A' ' 42' ' ' LEU . 97.5 mt -98.39 123.33 42.46 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.2 mp -117.65 120.55 38.35 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.39 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -97.54 108.9 3.72 Favored Glycine 0 N--CA 1.441 -0.995 0 N-CA-C 111.291 -0.723 . . . . 0.0 111.291 177.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.786 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 92.5 m-85 -96.35 125.02 40.56 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.804 0.335 . . . . 0.0 110.439 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -82.88 120.75 26.07 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 176.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.723 ' SG ' HG13 ' A' ' 90' ' ' ILE . 8.9 t -78.23 125.73 29.78 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.243 0.544 . . . . 0.0 110.381 -173.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.491 ' HB2' ' HG3' ' A' ' 72' ' ' GLU . 37.4 mt-30 -90.14 -34.67 15.78 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.714 -176.532 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.51 ' HB3' ' HB3' ' A' ' 72' ' ' GLU . 74.7 t60 -143.64 110.91 5.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.699 -177.457 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.723 HG13 ' SG ' ' A' ' 87' ' ' CYS . 0.7 OUTLIER -110.64 107.75 23.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 174.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.502 ' O ' HG13 ' A' ' 95' ' ' ILE . 12.6 m-20 -60.79 143.5 54.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.64 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.4 mp -60.16 -40.02 88.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.07 0.462 . . . . 0.0 110.376 -178.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -64.25 -41.13 97.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.205 177.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.46 ' OG ' HG23 ' A' ' 69' ' ' ILE . 47.4 t -58.07 -49.04 78.28 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.416 175.553 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 91' ' ' ASP . 59.8 mt -58.97 -44.96 92.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.614 178.295 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.521 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 4.9 t -60.19 -50.31 74.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.846 -177.442 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.51 ' HB2' HD11 ' A' ' 69' ' ' ILE . 79.3 m-70 -64.73 -35.24 80.41 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.553 0.216 . . . . 0.0 110.914 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.418 ' O ' HG23 ' A' ' 102' ' ' VAL . 55.5 tp -61.47 -48.7 79.91 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 178.044 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 35.4 ttt85 -63.94 -29.28 70.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.704 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.557 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 35.3 mmt180 -58.03 -51.71 68.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.664 0.269 . . . . 0.0 110.371 175.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.603 HD22 ' HG ' ' A' ' 63' ' ' LEU . 48.1 tp -64.69 -42.4 95.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.703 -179.658 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.841 HG21 HD11 ' A' ' 112' ' ' LEU . 96.2 t -60.49 -36.38 69.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.039 0.447 . . . . 0.0 110.642 178.632 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -70.32 -49.59 47.9 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.925 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 72.7 mt -67.29 -34.13 76.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.082 -178.37 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.43 -7.95 51.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.654 -176.243 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 86.5 mt 60.84 39.57 16.84 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.819 -179.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -84.94 7.76 73.2 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.68 -0.691 . . . . 0.0 114.244 -172.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.4 t70 70.23 119.14 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.466 0.65 . . . . 0.0 111.855 177.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -78.3 -21.17 50.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.592 -177.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -65.77 -38.42 88.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.36 . . . . 0.0 110.973 -177.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.46 ' HB2' HD11 ' A' ' 14' ' ' ILE . 96.9 mt -57.02 -30.93 64.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.226 177.42 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.841 HD11 HG21 ' A' ' 102' ' ' VAL . 75.4 mt -74.79 -16.09 60.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.43 -177.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -113.84 26.11 10.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.71 0.29 . . . . 0.0 111.259 -172.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -77.8 -99.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 174.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.58 ' HA ' ' ND1' ' A' ' 39' ' ' HIS . 0.2 OUTLIER -178.84 162.31 1.3 Allowed 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 176.226 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.484 HD13 ' HA3' ' A' ' 40' ' ' GLY . 52.1 tp -62.72 -42.4 99.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.101 0.477 . . . . 0.0 109.858 177.678 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.32 -6.42 49.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.464 175.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.448 HD12 ' HB2' ' A' ' 115' ' ' GLU . 82.5 mt -108.58 4.19 23.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.952 0.406 . . . . 0.0 110.449 177.583 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.538 HD13 ' O ' ' A' ' 115' ' ' GLU . 1.9 mp -100.09 102.86 14.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.243 0.544 . . . . 0.0 111.051 -177.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 20.7 t -97.92 154.93 3.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 174.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.5 p -61.6 171.93 1.38 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.634 -178.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -46.13 -41.67 12.75 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.62 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -108.97 155.01 21.36 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 172.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.414 ' HB3' HH12 ' A' ' 13' ' ' ARG . 6.1 p-10 -132.87 142.4 48.91 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.86 0.362 . . . . 0.0 110.323 178.166 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 . . . . . 0 C--O 1.245 0.866 0 CA-C-O 118.817 -0.611 . . . . 0.0 109.863 179.566 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 tmt? . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 m 64.42 104.82 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.158 0 O-C-N 123.745 0.653 . . . . 0.0 111.404 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -52.34 118.01 3.24 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.805 -179.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -61.45 126.57 27.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.82 -177.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -160.79 95.98 1.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.519 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.437 ' OD2' ' HA ' ' A' ' 10' ' ' ARG . 5.9 p-10 -98.31 -20.9 16.93 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 174.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' A' ' 8' ' ' ARG . 6.4 tm-20 -50.03 153.23 1.42 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.338 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.465 ' HB3' ' O ' ' A' ' 7' ' ' GLU . 79.1 ttt180 90.41 -19.56 0.15 Allowed 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.771 1.228 . . . . 0.0 110.122 -175.278 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -144.67 -34.6 0.36 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.315 176.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.437 ' HA ' ' OD2' ' A' ' 6' ' ' ASP . 26.1 mtp180 60.37 43.52 13.33 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.709 0.766 . . . . 0.0 109.535 -176.339 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -68.64 110.42 4.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.434 -172.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.453 ' NE2' ' HA ' ' A' ' 122' ' ' ALA . 1.8 m80 -88.38 113.86 24.41 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 171.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.582 ' HD3' ' HA2' ' A' ' 107' ' ' GLY . 99.4 mtt180 -63.33 -18.6 63.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.991 0.424 . . . . 0.0 110.704 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.4 HD12 HD21 ' A' ' 112' ' ' LEU . 48.3 mm -108.45 88.67 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 168.207 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 165.99 98.38 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.793 1.237 . . . . 0.0 107.784 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -85.11 -13.62 49.68 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -166.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 t70 62.02 17.54 9.13 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 122.272 1.034 . . . . 0.0 109.714 -176.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.14 155.96 36.45 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.808 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.548 ' HB3' ' HB2' ' A' ' 62' ' ' TYR . 13.2 t70 -69.94 118.28 12.58 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 177.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 t -117.02 125.17 50.95 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.122 0.487 . . . . 0.0 110.894 -176.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -120.26 125.17 47.44 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 172.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.539 HG13 HG11 ' A' ' 31' ' ' VAL . 62.5 mt -102.5 130.77 51.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 171.641 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -138.12 170.94 15.16 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 120.982 0.42 . . . . 0.0 110.866 -177.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.422 ' NE2' ' HB2' ' A' ' 55' ' ' ARG . 30.7 tt0 -127.09 37.93 4.18 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 175.167 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.4 -55.69 4.85 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 114.739 -1.119 . . . . 0.0 113.087 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -83.33 -37.86 22.83 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -173.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -133.57 142.79 48.31 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 -178.201 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -119.15 147.03 44.64 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 123.517 0.511 . . . . 0.0 110.833 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.588 ' HH2' ' HB2' ' A' ' 50' ' ' ASN . 14.5 m-90 -128.61 131.26 48.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.25 178.364 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -69.88 108.18 3.87 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 172.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.574 HG23 ' HB2' ' A' ' 45' ' ' GLN . 11.0 p -105.33 152.36 7.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.859 -178.154 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 mp -92.31 114.47 27.02 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.797 0.332 . . . . 0.0 110.497 178.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.6 tp -68.1 147.99 51.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.175 177.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.443 ' HB2' ' O ' ' A' ' 42' ' ' LEU . 87.4 m-70 -139.27 -89.56 0.2 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.243 178.201 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -126.83 140.5 52.31 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -174.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.533 HG23 ' HB ' ' A' ' 41' ' ' ILE . 14.1 p -141.54 159.81 21.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 116.835 -0.166 . . . . 0.0 111.234 -171.412 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 89.2 p -159.94 -173.78 4.25 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.583 0.23 . . . . 0.0 110.64 177.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.4 mt -93.55 14.75 17.87 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.332 0.587 . . . . 0.0 110.323 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -139.83 18.91 2.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.49 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.614 ' HA3' HD13 ' A' ' 116' ' ' LEU . . . 144.72 163.84 10.25 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.328 -0.939 . . . . 0.0 112.532 177.562 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.533 ' HB ' HG23 ' A' ' 36' ' ' VAL . 9.4 tt -140.37 136.07 36.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -179.23 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.525 HD11 ' HB3' ' A' ' 82' ' ' LEU . 49.9 tp -115.0 113.37 24.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.035 0.445 . . . . 0.0 110.259 -178.529 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.0 m -127.58 175.93 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.03 -179.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 81' ' ' GLY . . . -124.95 125.35 5.66 Favored Glycine 0 N--CA 1.449 -0.433 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.705 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.604 ' HG2' ' H ' ' A' ' 47' ' ' GLN . 24.7 tt0 -140.06 118.74 8.61 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-O 120.57 0.224 . . . . 0.0 110.769 -177.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -86.49 6.61 5.33 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.896 2.397 . . . . 0.0 112.592 177.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.604 ' H ' ' HG2' ' A' ' 45' ' ' GLN . 49.0 mt-30 -104.03 170.39 7.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.558 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -97.98 -161.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.082 -177.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -114.53 172.15 7.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.987 0.422 . . . . 0.0 111.751 -178.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.588 ' HB2' ' HH2' ' A' ' 29' ' ' TRP . 10.4 t30 -80.91 -71.93 0.44 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.575 -173.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -119.44 -65.44 0.29 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.443 -177.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.422 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 6.5 t70 -146.99 133.31 9.65 Favored Pre-proline 0 N--CA 1.448 -0.545 0 O-C-N 122.667 -0.314 . . . . 0.0 110.321 -176.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 52' ' ' ASP . 37.6 Cg_exo -60.13 -17.02 43.21 Favored 'Trans proline' 0 CA--C 1.532 0.404 0 C-N-CA 123.691 2.928 . . . . 0.0 113.396 176.366 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -73.54 -12.27 60.72 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.212 0.529 . . . . 0.0 110.698 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.422 ' HB2' ' NE2' ' A' ' 24' ' ' GLN . 65.6 mtp180 -91.03 147.59 36.09 Favored Pre-proline 0 N--CA 1.444 -0.741 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.829 177.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -51.72 146.69 26.65 Favored 'Trans proline' 0 C--O 1.239 0.537 0 C-N-CA 123.1 2.533 . . . . 0.0 112.844 177.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -117.88 138.24 52.25 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 173.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.508 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 2.9 mp0 -103.95 125.64 50.49 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.614 -177.528 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -105.73 113.99 27.89 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.7 177.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.496 ' CG ' HD11 ' A' ' 68' ' ' LEU . 40.8 ttm180 -116.06 119.09 34.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.552 -178.156 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 67.6 mt -107.73 119.1 38.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.547 -178.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.548 ' HB2' ' HB3' ' A' ' 19' ' ' ASP . 35.5 m-85 -94.08 117.39 30.04 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.511 178.154 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.558 HD11 HD22 ' A' ' 101' ' ' LEU . 71.0 mt -101.11 -19.85 15.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.698 0.761 . . . . 0.0 109.043 170.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -166.95 -158.97 11.81 Favored Glycine 0 N--CA 1.443 -0.884 0 N-CA-C 109.996 -1.241 . . . . 0.0 109.996 178.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.425 ' O ' HD23 ' A' ' 65' ' ' LEU . 4.1 tt -81.41 -35.41 30.74 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 117.638 0.719 . . . . 0.0 109.206 177.232 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -96.71 -45.61 6.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.26 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 32.5 t -70.9 98.12 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-O 121.248 0.547 . . . . 0.0 109.993 -177.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.496 HD11 ' CG ' ' A' ' 60' ' ' ARG . 33.9 tp -130.19 113.11 14.06 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.573 -174.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.476 HD12 ' N ' ' A' ' 69' ' ' ILE . 3.5 mp -94.27 107.94 20.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 177.648 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.788 ' HD3' ' H ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -115.16 127.94 55.87 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.786 -179.688 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.1 ptm -136.94 154.27 50.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.597 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.579 ' HB3' ' HB3' ' A' ' 89' ' ' HIS . 34.7 tt0 -111.66 119.62 39.29 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -176.634 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.546 HG22 ' HA ' ' A' ' 87' ' ' CYS . 15.7 pt -123.22 161.46 24.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.4 -171.347 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 p -122.52 126.18 47.28 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.144 175.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 57.6 tp -63.44 122.07 15.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.968 0.413 . . . . 0.0 111.246 -177.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.482 ' HB2' ' HG2' ' A' ' 86' ' ' GLU . . . -95.33 -55.04 3.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 -178.24 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 66.1 p-90 -145.86 144.65 30.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.126 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -129.82 119.78 23.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.274 178.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.1 mmt85 -125.46 103.04 7.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.332 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 65.86 -84.09 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.404 175.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.416 ' O ' ' HA2' ' A' ' 44' ' ' GLY . . . -128.24 -5.34 5.18 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 121.161 -0.543 . . . . 0.0 112.334 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.525 ' HB3' HD11 ' A' ' 42' ' ' LEU . 98.8 mt -105.26 121.12 43.2 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.2 mp -119.07 128.94 54.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.659 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.96 119.13 5.81 Favored Glycine 0 N--CA 1.443 -0.891 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.428 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -106.82 138.41 43.05 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.482 ' HG2' ' HB2' ' A' ' 76' ' ' ALA . 6.0 mm-40 -82.73 127.73 33.7 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 173.081 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.777 ' HB2' HD11 ' A' ' 90' ' ' ILE . 6.8 p -71.77 102.57 2.87 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.222 178.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -86.23 -57.83 2.87 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.131 -173.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.579 ' HB3' ' HB3' ' A' ' 72' ' ' GLU . 50.5 t60 -126.24 101.37 6.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.193 0.52 . . . . 0.0 110.786 -176.501 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.777 HD11 ' HB2' ' A' ' 87' ' ' CYS . 1.9 mp -113.92 111.03 34.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 175.202 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -78.98 169.19 18.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.861 0.363 . . . . 0.0 110.559 -176.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.565 HD12 ' N ' ' A' ' 93' ' ' ASP . 1.3 pp -63.39 -32.59 74.07 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -174.277 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.565 ' N ' HD12 ' A' ' 92' ' ' LEU . 32.3 t70 -71.45 -35.53 70.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.238 0.542 . . . . 0.0 109.634 -178.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.5 t -67.33 -47.23 71.12 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.356 178.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 72.4 mt -60.59 -42.01 90.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.97 179.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.2 t -60.01 -52.07 66.96 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.475 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -61.92 -47.22 85.91 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.944 0.402 . . . . 0.0 110.513 178.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 47.0 tp -61.92 -56.05 23.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.975 -174.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 51.2 ttt-85 -66.14 -38.59 88.51 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.876 -0.329 . . . . 0.0 111.058 -173.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.46 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 56.1 mtt180 -68.51 -26.52 65.49 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.368 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.558 HD22 HD11 ' A' ' 63' ' ' LEU . 33.4 tp -68.27 -39.39 82.19 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 176.005 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.71 HG21 HD11 ' A' ' 112' ' ' LEU . 58.1 t -67.41 -40.11 83.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.021 173.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -62.43 -41.57 98.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.007 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 81.9 mt -62.64 -35.47 79.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.955 0.407 . . . . 0.0 111.335 178.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -93.42 2.71 56.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.103 -178.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.9 mt 55.99 38.12 29.61 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.588 0.555 . . . . 0.0 110.979 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.582 ' HA2' ' HD3' ' A' ' 13' ' ' ARG . . . -66.46 -27.75 73.3 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.943 -176.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.2 t70 71.35 150.55 0.1 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.217 0.607 . . . . 0.0 110.479 -176.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -87.12 -1.67 58.06 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.713 0.635 . . . . 0.0 112.713 -172.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -56.45 -43.55 79.61 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.465 0.65 . . . . 0.0 109.722 173.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 42.6 mt -62.98 -31.01 72.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.833 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.71 HD11 HG21 ' A' ' 102' ' ' VAL . 92.2 mt -94.58 1.64 55.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.972 -175.655 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -131.44 28.2 4.67 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -175.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 25.0 mtt180 -78.44 -95.83 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 173.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.531 ' HB2' HD12 ' A' ' 118' ' ' LEU . 3.4 mm-40 -174.41 168.4 3.89 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 172.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.614 HD13 ' HA3' ' A' ' 40' ' ' GLY . 67.2 tp -64.88 -49.93 68.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 118.23 0.468 . . . . 0.0 110.094 178.308 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.65 -18.87 65.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.742 176.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.531 HD12 ' HB2' ' A' ' 115' ' ' GLU . 97.0 mt -95.33 1.81 54.5 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.912 0.386 . . . . 0.0 110.639 178.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 119' ' ' LEU . 2.2 tp -98.07 108.62 21.37 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.186 0.517 . . . . 0.0 110.394 -176.234 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.821 ' HB ' ' HB2' ' A' ' 124' ' ' ASP . 30.8 m -88.02 171.99 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.754 177.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 98.0 p -100.91 171.68 7.5 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.869 0.366 . . . . 0.0 110.509 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.453 ' HA ' ' NE2' ' A' ' 12' ' ' HIS . . . -52.29 -14.79 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -103.17 -2.28 27.59 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.197 -0.601 . . . . 0.0 111.676 -179.357 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.821 ' HB2' ' HB ' ' A' ' 120' ' ' VAL . 32.2 m-20 -97.78 88.67 4.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.677 0.275 . . . . 0.0 110.864 -177.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 . . . . . 0 C--O 1.251 1.156 0 CA-C-O 118.481 -0.771 . . . . 0.0 109.271 175.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.635 ' O ' ' HA ' ' A' ' 35' ' ' ASP . 35.9 mm . . . . . 0 N--CA 1.45 -0.429 0 CA-C-O 121.501 0.667 . . . . 0.0 110.53 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -160.7 103.94 1.37 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.243 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -107.44 161.95 14.37 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.546 -174.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -83.63 81.35 8.78 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 174.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.36 144.76 46.8 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.459 -176.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.55 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 18.7 m-20 -71.1 110.06 5.55 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 176.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.477 ' HB3' ' O ' ' A' ' 31' ' ' VAL . 22.6 t -101.12 108.23 19.86 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.253 -178.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.57 ' OE2' ' HD2' ' A' ' 28' ' ' ARG . 38.1 mt-10 -109.85 119.7 40.16 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.818 175.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.596 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 71.3 mt -101.22 111.53 31.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 170.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.525 HD23 ' H ' ' A' ' 23' ' ' LEU . 2.2 pt? -127.92 171.48 11.77 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.839 -173.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -141.28 78.81 1.66 Allowed 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 174.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.79 -84.32 0.04 OUTLIER Glycine 0 CA--C 1.521 0.411 0 CA-C-N 115.105 -0.952 . . . . 0.0 113.371 -177.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -85.97 -30.13 23.0 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 123.172 0.589 . . . . 0.0 111.938 -173.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -106.65 123.92 48.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.742 -0.208 . . . . 0.0 110.94 -171.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.57 ' HD2' ' OE2' ' A' ' 21' ' ' GLU . 8.9 ttp180 -112.92 134.88 54.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.723 -0.217 . . . . 0.0 110.966 -178.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 6.8 m-90 -129.62 108.34 10.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.192 0.52 . . . . 0.0 110.525 172.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -72.47 128.79 36.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.773 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.477 ' O ' ' HB3' ' A' ' 20' ' ' SER . 11.6 p -137.71 160.76 33.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.786 0.327 . . . . 0.0 111.198 -173.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.402 ' N ' HG22 ' A' ' 31' ' ' VAL . 8.1 mp -96.36 129.4 43.7 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.328 176.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.5 tt -81.64 138.04 35.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.084 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -111.51 -42.7 3.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.642 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.635 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 13.4 t70 -165.14 139.23 4.87 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 172.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.541 HG23 ' HB ' ' A' ' 41' ' ' ILE . 7.5 p -132.72 141.7 44.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.936 0.398 . . . . 0.0 110.356 -179.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.7 p -145.48 -169.78 3.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.938 0.399 . . . . 0.0 111.344 -175.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.3 mt -84.65 -12.3 54.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.154 -174.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.454 ' HE1' HD13 ' A' ' 119' ' ' LEU . 10.5 p80 -107.96 -19.58 13.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.496 -177.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 176.49 -178.15 47.86 Favored Glycine 0 N--CA 1.443 -0.855 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.285 -175.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.541 ' HB ' HG23 ' A' ' 36' ' ' VAL . 8.5 tt -148.65 133.21 9.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 120.814 0.34 . . . . 0.0 110.218 -177.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.618 HD11 ' HB3' ' A' ' 82' ' ' LEU . 55.4 tp -108.61 114.46 28.3 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.034 0.445 . . . . 0.0 110.245 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.8 m -113.49 167.72 6.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.208 176.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -124.94 113.63 2.0 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.617 -0.801 . . . . 0.0 111.395 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.576 ' HG3' HD13 ' A' ' 83' ' ' LEU . 21.1 mt-30 -108.89 113.64 59.26 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-O 120.945 0.403 . . . . 0.0 110.695 -178.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -78.07 12.33 2.05 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 123.221 2.614 . . . . 0.0 111.461 174.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -148.62 127.34 12.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.173 -0.922 . . . . 0.0 108.791 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -89.14 133.63 34.32 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.877 0.37 . . . . 0.0 110.71 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.412 ' HH2' HG21 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -89.73 -111.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.23 179.789 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.3 t30 . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 174.757 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 CA--C 1.52 -0.181 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.41 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 45.1 mtt180 -97.25 110.68 55.45 Favored Pre-proline 0 N--CA 1.449 -0.509 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.843 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 55' ' ' ARG . 41.7 Cg_endo -69.74 143.6 51.42 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.599 2.199 . . . . 0.0 111.449 176.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -121.76 152.83 39.03 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.05 0.453 . . . . 0.0 111.016 -174.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.596 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 36.8 mt-10 -106.19 128.15 53.72 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.502 ' HB3' ' HG3' ' A' ' 71' ' ' MET . . . -109.41 107.92 18.26 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 177.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.484 ' HG2' HD11 ' A' ' 68' ' ' LEU . 33.7 ttm180 -109.99 115.4 29.7 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.884 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.649 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 67.6 mt -106.67 106.99 17.78 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.591 -176.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.55 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 28.2 m-85 -85.41 95.07 9.14 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 176.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 22.2 tp -78.93 -23.54 44.59 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 177.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -169.14 167.59 40.59 Favored Glycine 0 N--CA 1.436 -1.357 0 CA-C-N 113.646 -1.616 . . . . 0.0 109.335 172.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.5 mt -56.91 -41.57 78.38 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 117.63 0.715 . . . . 0.0 110.73 178.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -94.08 -8.2 40.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.48 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 32.8 t -114.46 92.99 2.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-O 121.045 0.45 . . . . 0.0 110.159 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.484 HD11 ' HG2' ' A' ' 60' ' ' ARG . 49.8 tp -109.94 122.97 48.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.277 -176.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.649 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 58.1 mt -103.53 132.56 49.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 173.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -135.17 143.65 46.59 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.761 0.315 . . . . 0.0 111.155 -175.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.502 ' HG3' ' HB3' ' A' ' 59' ' ' ALA . 17.9 ptm -158.58 128.21 5.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.225 -178.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -85.21 125.36 32.8 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.754 175.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.535 HG22 ' HA ' ' A' ' 87' ' ' CYS . 22.7 pt -132.47 172.32 16.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.732 -175.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.4 m -132.23 146.75 52.22 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.188 172.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 63.0 tp -69.41 112.77 6.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.406 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.13 -49.74 7.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.454 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 65.9 p-90 -156.0 141.24 17.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.928 0.394 . . . . 0.0 111.549 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -120.39 122.18 40.18 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 172.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -150.83 113.48 4.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.694 0.283 . . . . 0.0 111.683 -172.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 66.05 26.45 10.78 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.347 173.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.58 -11.44 68.45 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.321 -0.943 . . . . 0.0 112.132 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.618 ' HB3' HD11 ' A' ' 42' ' ' LEU . 74.8 mt -96.74 122.33 39.57 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.576 HD13 ' HG3' ' A' ' 45' ' ' GLN . 5.5 mp -115.35 114.52 25.24 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.068 0.461 . . . . 0.0 110.361 -179.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -98.9 114.88 5.15 Favored Glycine 0 N--CA 1.441 -0.984 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.215 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -99.49 152.77 19.62 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -103.73 135.09 45.94 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 176.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.535 ' HA ' HG22 ' A' ' 73' ' ' ILE . 74.8 m -76.2 132.83 40.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.946 -177.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -112.03 -53.6 2.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.508 177.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -139.31 98.25 3.47 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 -176.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 32.9 mt -97.76 124.55 50.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 172.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.423 ' O ' ' HB3' ' A' ' 94' ' ' SER . 28.9 t70 -60.99 147.24 44.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.748 0.309 . . . . 0.0 111.115 -176.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.63 -45.09 92.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.241 -177.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -69.39 -35.94 76.28 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.423 ' HB3' ' O ' ' A' ' 91' ' ' ASP . 32.4 t -57.54 -50.96 71.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.417 174.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 80.3 mt -60.01 -39.5 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-O 121.002 0.43 . . . . 0.0 110.332 176.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 53.9 m -59.02 -39.28 81.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.884 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -70.73 -47.39 59.96 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.888 0.375 . . . . 0.0 110.394 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.418 ' O ' HG23 ' A' ' 102' ' ' VAL . 57.1 tp -58.44 -53.55 57.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.379 -176.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 99' ' ' ARG . 32.2 ttm180 -66.35 -36.94 84.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 -177.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.46 HH11 ' HD2' ' A' ' 100' ' ' ARG . 10.1 tpp85 -63.26 -39.24 94.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.867 177.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.2 tp -65.59 -42.05 92.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.747 0.308 . . . . 0.0 110.678 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 98' ' ' LEU . 64.3 t -63.47 -44.76 98.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.371 . . . . 0.0 110.373 177.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -59.71 -46.27 89.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.614 177.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.3 tt -57.44 -45.9 84.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.756 -177.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -80.58 -16.01 55.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.154 -177.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 29.5 tp 59.15 52.93 5.76 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.995 0.902 . . . . 0.0 109.203 -171.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' A' ' 108' ' ' ASP . . . -90.1 -0.4 77.49 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 114.948 -1.024 . . . . 0.0 112.358 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 107' ' ' GLY . 1.3 m-20 72.12 120.47 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.604 0.716 . . . . 0.0 111.507 -178.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 113' ' ' GLU . 1.5 mp0 -65.69 -8.96 23.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.277 176.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -50.58 -36.52 35.16 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.277 174.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.599 HD22 HH21 ' A' ' 114' ' ' ARG . 72.3 mt -63.33 -32.18 73.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.328 0.585 . . . . 0.0 111.07 -178.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.4 mt -79.84 -14.62 58.53 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.751 -177.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 72.4 mt-10 -102.0 12.52 36.75 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -170.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.684 ' HB2' HD11 ' A' ' 119' ' ' LEU . 14.8 mtt85 -76.23 -162.67 0.25 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.067 0.461 . . . . 0.0 109.929 175.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.436 ' O ' HD13 ' A' ' 119' ' ' LEU . 1.5 tm-20 -123.31 148.2 46.22 Favored 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 173.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 61.6 tp -53.42 -38.26 63.31 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 118.246 0.475 . . . . 0.0 112.061 -174.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.52 -16.85 64.45 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.846 0.355 . . . . 0.0 111.53 177.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 79.2 mt -89.96 -15.23 32.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.715 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.684 HD11 ' HB2' ' A' ' 114' ' ' ARG . 10.8 mp -86.42 104.79 16.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.53 0.681 . . . . 0.0 111.077 -177.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 121' ' ' SER . 15.0 t -113.55 166.38 7.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.042 -178.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.45 ' N ' HG12 ' A' ' 120' ' ' VAL . 21.1 p -69.28 171.63 8.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.76 0.314 . . . . 0.0 111.118 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.42 -178.544 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.52 HG23 ' O ' ' A' ' 14' ' ' ILE . 17.8 tt . . . . . 0 N--CA 1.451 -0.41 0 CA-C-O 122.823 1.297 . . . . 0.0 109.73 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.9 101.48 4.31 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.3 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -76.8 167.13 22.36 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.064 -178.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -80.19 46.71 0.84 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 171.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -97.13 144.22 27.19 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.623 -1.172 . . . . 0.0 110.522 -173.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.545 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 20.9 m-20 -91.45 118.37 30.5 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 175.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.5 t -107.31 115.15 29.65 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.502 -176.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.79 ' HG2' ' HG3' ' A' ' 30' ' ' GLU . 56.2 mt-10 -106.21 129.58 54.23 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.224 176.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.429 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 76.9 mt -96.81 115.4 36.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 173.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.525 ' HB2' ' HB2' ' A' ' 58' ' ' GLU . 6.9 mt -101.85 135.81 42.75 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.186 -174.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -116.76 77.28 1.1 Allowed 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 171.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.36 -73.89 1.54 Allowed Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.127 -177.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -119.34 -36.03 3.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.811 0.339 . . . . 0.0 111.423 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -90.12 130.34 36.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.64 -172.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.0 ptt85 -112.35 140.35 47.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.664 -177.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 16.8 m-90 -124.89 111.05 15.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.305 174.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.79 ' HG3' ' HG2' ' A' ' 21' ' ' GLU . 4.1 mp0 -67.36 121.07 14.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.117 0.484 . . . . 0.0 110.342 174.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.6 p -116.61 161.69 15.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.249 -175.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 mp -90.5 118.83 30.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.709 0.29 . . . . 0.0 110.701 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.477 HD11 ' HB ' ' A' ' 36' ' ' VAL . 65.8 tp -71.04 146.21 49.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.403 176.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -128.88 -44.12 1.33 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.718 176.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.419 ' CG ' HH22 ' A' ' 114' ' ' ARG . 10.1 t70 -153.13 138.66 17.72 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 177.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.477 ' HB ' HD11 ' A' ' 33' ' ' LEU . 8.7 p -137.85 140.69 40.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.519 ' OG ' ' HA ' ' A' ' 112' ' ' LEU . 5.6 t -151.41 -169.82 3.48 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 120.424 -0.51 . . . . 0.0 111.342 -174.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.9 tp -90.28 10.89 23.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.946 0.879 . . . . 0.0 110.657 -171.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -138.88 19.13 2.65 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.606 -176.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.88 -163.88 25.84 Favored Glycine 0 N--CA 1.442 -0.964 0 C-N-CA 120.233 -0.984 . . . . 0.0 112.805 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.0 tt -157.58 139.2 5.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 120.617 0.246 . . . . 0.0 110.403 -174.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.702 HD11 ' HB3' ' A' ' 82' ' ' LEU . 39.5 tp -115.05 118.22 32.78 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.519 -178.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.45 HG12 ' HA ' ' A' ' 33' ' ' LEU . 30.5 m -127.23 169.98 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.794 0.33 . . . . 0.0 111.243 -178.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -113.9 107.12 1.84 Allowed Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 176.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.678 ' HB3' HD12 ' A' ' 83' ' ' LEU . 24.5 tp60 -123.53 111.66 29.69 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 120.646 0.26 . . . . 0.0 111.344 -172.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.466 ' HD2' HE21 ' A' ' 45' ' ' GLN . 3.1 Cg_exo -77.59 47.42 2.29 Favored 'Trans proline' 0 CA--C 1.532 0.402 0 C-N-CA 123.402 2.735 . . . . 0.0 112.009 175.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -135.56 128.39 31.16 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -176.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.402 ' O ' ' HB2' ' A' ' 49' ' ' TRP . 44.3 m-20 -77.35 19.22 0.35 Allowed 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.814 -176.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.549 ' CZ2' HD13 ' A' ' 83' ' ' LEU . 37.5 m95 70.48 145.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 123.433 0.693 . . . . 0.0 111.406 -176.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.8 p30 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.491 -175.647 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.416 HE21 ' HB2' ' A' ' 54' ' ' GLN . 0.0 OUTLIER . . . . . 0 CA--C 1.512 -0.5 0 CA-C-O 122.632 1.206 . . . . 0.0 108.087 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.9 ttm105 -100.19 137.34 20.02 Favored Pre-proline 0 N--CA 1.434 -1.233 0 CA-C-N 113.112 -1.858 . . . . 0.0 110.17 -170.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.94 132.02 49.49 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.873 2.382 . . . . 0.0 112.378 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -116.03 152.28 33.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.599 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.525 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 39.9 mt-10 -116.92 135.97 53.31 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 121.193 -0.203 . . . . 0.0 110.724 -177.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -117.55 125.26 50.52 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.705 0.288 . . . . 0.0 110.628 178.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -124.15 112.7 17.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.919 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.737 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 64.7 mt -103.76 126.68 51.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.704 -175.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.545 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 67.0 m-85 -100.96 111.8 24.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.899 176.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -104.45 -26.0 12.58 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.247 0.546 . . . . 0.0 109.655 173.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -174.82 -168.25 35.23 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.3 mt -77.62 -30.47 52.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.102 0.477 . . . . 0.0 110.276 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -94.01 -32.01 14.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.215 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.9 t -94.61 92.21 3.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.204 -175.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.3 tp -116.46 119.71 36.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.45 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.737 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 66.7 mt -104.88 133.04 50.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.859 -177.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -129.11 142.08 51.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.17 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.43 ' HB3' HG23 ' A' ' 90' ' ' ILE . 21.4 ptm -154.71 134.52 12.89 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 120.809 0.337 . . . . 0.0 111.451 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -83.55 126.51 32.88 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.726 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 14.0 pt -136.61 148.1 27.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.334 0.588 . . . . 0.0 112.325 -174.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 54.7 p -121.22 130.56 53.75 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 172.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.4 tp -64.25 115.83 5.41 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.576 -178.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -118.95 -6.3 10.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.167 0.508 . . . . 0.0 110.398 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.808 ' HB2' HD21 ' A' ' 116' ' ' LEU . 0.3 OUTLIER -133.87 145.63 49.84 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-O 121.811 0.815 . . . . 0.0 109.579 -176.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -162.48 103.88 1.08 Allowed 'General case' 0 C--N 1.293 -1.867 0 CA-C-N 114.038 -1.437 . . . . 0.0 110.225 -177.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.631 ' HB2' ' CZ3' ' A' ' 77' ' ' TRP . 6.2 mmm180 -128.12 92.2 3.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.846 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.5 t70 65.95 -84.89 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.82 177.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -122.65 -5.49 8.38 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.85 -0.691 . . . . 0.0 111.652 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.796 ' HG ' ' HB3' ' A' ' 121' ' ' SER . 4.4 mm? -95.97 115.98 28.25 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.678 HD12 ' HB3' ' A' ' 45' ' ' GLN . 51.5 mt -109.25 128.62 55.21 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.522 -176.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.481 ' HA3' ' HB3' ' A' ' 77' ' ' TRP . . . -114.48 125.87 7.02 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.871 -177.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.726 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 55.9 m-85 -104.33 145.18 30.62 Favored 'General case' 0 C--N 1.314 -0.969 0 O-C-N 122.607 -0.349 . . . . 0.0 110.423 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -94.47 126.23 39.61 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 173.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.513 ' HA ' HG22 ' A' ' 73' ' ' ILE . 24.6 p -75.23 114.08 13.33 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.102 0.477 . . . . 0.0 110.737 -178.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -81.05 -37.42 29.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.475 177.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -160.66 119.33 2.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.681 176.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.43 HG23 ' HB3' ' A' ' 71' ' ' MET . 32.2 mt -102.78 132.9 47.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 172.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.491 ' O ' HG13 ' A' ' 95' ' ' ILE . 14.1 t70 -57.0 128.89 39.23 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 178.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.645 HD13 HD12 ' A' ' 95' ' ' ILE . 4.4 mm? -60.81 -35.93 77.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.056 -173.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -69.12 -41.37 77.48 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 178.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.539 ' HB3' HG23 ' A' ' 69' ' ' ILE . 20.9 m -60.81 -41.6 95.99 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.791 176.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.645 HD12 HD13 ' A' ' 92' ' ' LEU . 71.5 mt -58.83 -44.04 89.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 120.911 0.386 . . . . 0.0 110.596 176.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.3 t -58.82 -47.89 83.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.398 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -64.84 -38.97 92.77 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 110.562 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.514 ' O ' HG23 ' A' ' 102' ' ' VAL . 61.8 tp -59.08 -58.68 7.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.902 -179.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.464 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 77.4 ttt180 -67.0 -34.56 78.0 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.761 -176.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.454 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 12.7 tpp180 -62.32 -39.02 91.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.8 0.333 . . . . 0.0 110.5 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.4 tp -68.41 -34.92 76.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.161 177.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 98' ' ' LEU . 57.3 t -65.6 -43.42 94.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.134 176.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 99' ' ' ARG . 7.2 mm-40 -56.61 -46.59 80.81 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.599 176.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 95.1 mt -59.35 -34.27 72.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.482 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -94.13 5.07 52.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.648 -176.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.483 ' HA ' HD13 ' A' ' 106' ' ' LEU . 3.6 mm? 57.99 33.07 22.79 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.06 0.457 . . . . 0.0 111.269 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -76.49 106.02 2.1 Favored Glycine 0 N--CA 1.437 -1.274 0 C-N-CA 120.42 -0.895 . . . . 0.0 111.288 177.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.597 ' HB3' ' HG2' ' A' ' 110' ' ' GLU . 2.6 m-20 -36.05 117.59 0.47 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.271 0.558 . . . . 0.0 111.432 172.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -72.43 1.88 7.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.981 -172.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.597 ' HG2' ' HB3' ' A' ' 108' ' ' ASP . 8.2 mm-40 -57.38 -32.47 66.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.538 0.685 . . . . 0.0 109.561 176.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.474 HD13 ' HB ' ' A' ' 14' ' ' ILE . 86.9 mt -66.16 -23.34 66.45 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.094 -177.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.519 ' HA ' ' OG ' ' A' ' 37' ' ' SER . 97.5 mt -89.55 -20.11 24.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.753 -175.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -108.18 20.39 18.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.891 0.377 . . . . 0.0 111.445 -172.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.456 ' NE ' ' HA ' ' A' ' 111' ' ' LEU . 80.6 mtm180 -84.98 -169.42 2.64 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.546 ' O ' HD13 ' A' ' 119' ' ' LEU . 0.4 OUTLIER -115.6 154.82 28.75 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 172.642 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.808 HD21 ' HB2' ' A' ' 77' ' ' TRP . 25.3 tp -55.66 -34.77 65.29 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.11 0.413 . . . . 0.0 110.802 177.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.05 -18.91 62.16 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 111.836 175.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 90.4 mt -99.65 -4.34 31.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.853 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' ' 115' ' ' GLU . 8.8 mp -95.07 88.24 5.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.509 0.671 . . . . 0.0 110.058 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 121' ' ' SER . 11.5 t -93.86 168.06 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.409 -179.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.796 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 2.4 p -61.4 171.96 1.28 Allowed 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 122.892 0.477 . . . . 0.0 111.41 178.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.455 0 CA-C-O 121.144 0.497 . . . . 0.0 110.955 -177.443 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.649 HG21 HG12 ' A' ' 36' ' ' VAL . 34.0 mm . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.33 0.586 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -152.82 103.49 2.77 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.684 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -121.16 166.82 13.4 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.375 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -79.09 82.85 5.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.334 0.587 . . . . 0.0 111.366 -176.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.25 138.1 43.21 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.372 174.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.573 ' O ' ' HD2' ' A' ' 62' ' ' TYR . 37.0 t70 -73.65 114.53 12.02 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 p -107.82 113.58 26.91 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.288 0.566 . . . . 0.0 112.074 -174.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -119.7 131.33 55.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.349 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.443 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 72.2 mt -104.03 107.65 22.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 172.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.7 HD23 ' H ' ' A' ' 23' ' ' LEU . 2.0 pt? -112.41 152.14 29.01 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.253 0.549 . . . . 0.0 110.627 -177.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.565 ' OE1' ' HD3' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -125.83 17.19 8.0 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.701 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.76 -43.02 2.73 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.608 -174.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.605 ' HG3' ' ND2' ' A' ' 50' ' ' ASN . 2.3 mm-40 -61.81 -40.87 96.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.303 0.573 . . . . 0.0 110.154 176.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.1 ttt-85 -162.74 161.11 26.15 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.003 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.2 ptt180 -114.48 118.02 32.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 173.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 27.6 m-90 -97.03 123.33 40.73 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.892 -178.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -70.57 116.17 10.58 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 174.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -119.81 159.08 21.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -177.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 mp -103.97 131.34 51.3 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.464 178.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.521 HD11 ' HB ' ' A' ' 36' ' ' VAL . 64.0 tp -68.75 138.35 54.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.47 177.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.417 ' HB3' ' OG ' ' A' ' 121' ' ' SER . 31.9 m-70 -130.99 -37.27 1.29 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.598 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.505 ' HA ' ' HB ' ' A' ' 14' ' ' ILE . 56.3 t0 -170.15 111.2 0.42 Allowed 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.649 HG12 HG21 ' A' ' 14' ' ' ILE . 7.7 p -113.74 156.32 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 O-C-N 122.108 -0.37 . . . . 0.0 110.507 -177.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.475 ' OG ' ' HA ' ' A' ' 112' ' ' LEU . 3.3 t -157.05 -178.89 7.7 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 -177.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.461 ' HG ' ' HB3' ' A' ' 112' ' ' LEU . 92.1 mt -82.03 -2.46 51.78 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.266 0.555 . . . . 0.0 111.449 -176.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.697 ' HA ' ' SG ' ' A' ' 87' ' ' CYS . 13.5 p80 -121.03 21.41 11.32 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.242 -177.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' A' ' 85' ' ' PHE . . . 132.78 -159.57 23.52 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 119.916 -1.135 . . . . 0.0 112.339 178.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.53 HG12 HG13 ' A' ' 43' ' ' VAL . 15.9 tt -158.6 140.36 5.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.142 0.496 . . . . 0.0 111.183 -173.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.492 HD11 ' HB3' ' A' ' 82' ' ' LEU . 58.8 tp -111.39 114.27 27.3 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.293 175.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.53 HG13 HG12 ' A' ' 41' ' ' ILE . 14.4 m -126.57 170.35 16.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.519 -176.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.454 ' HA2' ' O ' ' A' ' 81' ' ' GLY . . . -111.55 103.8 1.6 Allowed Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 176.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.47 106.98 58.12 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -176.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -71.47 -30.18 15.54 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.948 2.432 . . . . 0.0 113.122 -176.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -90.65 175.61 6.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.209 0.528 . . . . 0.0 111.237 -174.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -98.55 163.82 12.51 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.97 177.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -88.58 176.12 7.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.191 0.52 . . . . 0.0 111.521 -174.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.605 ' ND2' ' HG3' ' A' ' 26' ' ' GLU . 23.4 p-10 . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.088 -175.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 . . . . . 0 CA--C 1.517 -0.315 0 CA-C-O 121.631 0.729 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.565 ' HD3' ' OE1' ' A' ' 24' ' ' GLN . 45.9 mtt180 -87.57 139.06 31.52 Favored Pre-proline 0 N--CA 1.444 -0.757 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.178 171.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -58.98 107.36 0.34 Allowed 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.387 2.058 . . . . 0.0 111.954 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -95.52 135.36 37.28 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.443 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 44.8 mt-10 -113.12 119.42 37.76 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.791 0.329 . . . . 0.0 110.584 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.8 107.3 19.75 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.8 177.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -96.91 111.63 23.75 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.446 177.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.86 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 75.9 mt -99.96 99.92 10.74 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 175.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.573 ' HD2' ' O ' ' A' ' 19' ' ' ASP . 40.1 m-85 -79.73 94.63 5.78 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.1 tp -88.97 -29.99 19.12 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -155.36 -176.38 27.47 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.994 177.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.96 -45.58 81.22 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.0 0.4 . . . . 0.0 110.372 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.95 5.55 28.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.145 0.498 . . . . 0.0 110.633 177.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.0 t -105.77 84.25 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.1 tp -110.73 117.47 33.53 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.126 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.86 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 55.2 mt -94.24 92.34 3.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 175.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.533 ' HD3' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -105.36 123.51 47.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.608 0.718 . . . . 0.0 110.301 -178.263 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.405 ' HB2' HG12 ' A' ' 90' ' ' ILE . 20.0 ptm -127.67 121.18 29.73 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.767 -177.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.425 ' HG2' HE21 ' A' ' 88' ' ' GLN . 33.1 tt0 -78.27 119.09 21.14 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 176.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.522 HG22 ' HA ' ' A' ' 87' ' ' CYS . 11.6 pt -133.72 161.19 41.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.234 0.54 . . . . 0.0 112.057 -172.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.429 ' HB2' ' OE1' ' A' ' 88' ' ' GLN . 34.1 t -119.38 139.05 52.62 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.007 173.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.6 tp -77.38 114.6 16.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.991 0.424 . . . . 0.0 110.361 -177.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.89 -49.97 6.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.24 -176.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -149.95 151.28 33.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.27 0.557 . . . . 0.0 111.769 -177.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -132.47 114.98 14.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.023 176.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -122.58 118.25 27.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.707 -0.224 . . . . 0.0 110.528 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.6 t70 61.54 -86.44 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.902 0.751 . . . . 0.0 111.093 -178.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.454 ' O ' ' HA2' ' A' ' 44' ' ' GLY . . . -137.27 2.66 3.22 Favored Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 177.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.492 ' HB3' HD11 ' A' ' 42' ' ' LEU . 80.2 mt -103.81 118.8 37.55 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.6 mp -114.09 127.97 56.17 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.705 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.31 124.72 7.88 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.126 -178.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.507 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 49.4 m-85 -109.72 143.35 39.64 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -98.56 142.25 30.38 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 175.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.697 ' SG ' ' HA ' ' A' ' 39' ' ' HIS . 28.4 p -80.1 137.97 36.86 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.499 0.666 . . . . 0.0 111.568 -172.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.429 ' OE1' ' HB2' ' A' ' 74' ' ' SER . 24.2 mt-30 -112.25 -41.15 3.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.031 175.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -154.33 98.45 2.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.908 0.385 . . . . 0.0 111.195 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.405 HG12 ' HB2' ' A' ' 71' ' ' MET . 51.9 mt -93.55 112.32 26.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 167.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -65.47 148.23 52.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.64 -172.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 39.3 tp -56.63 -34.68 67.52 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.915 0.388 . . . . 0.0 110.536 -177.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -57.67 -55.05 39.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.02 174.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.402 ' HB3' HG23 ' A' ' 69' ' ' ILE . 18.6 m -63.58 -37.02 85.74 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.947 -179.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 72.6 mt -60.21 -46.61 94.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.601 175.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 90.5 p -63.87 -36.93 85.53 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.467 -178.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 -66.41 -51.05 60.98 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.842 0.353 . . . . 0.0 110.303 177.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.6 tp -63.57 -46.99 83.37 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.476 -175.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -57.82 -55.7 31.53 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.777 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 26.2 mtm180 -60.94 -33.9 73.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.999 -176.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 63.4 tp -60.82 -55.22 35.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.866 0.365 . . . . 0.0 110.983 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 61.4 t -69.31 -41.09 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.054 0.454 . . . . 0.0 110.875 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -68.61 -33.91 74.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.439 -175.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 72.0 mt -78.14 -12.53 60.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.69 0.281 . . . . 0.0 111.394 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -100.11 -10.65 21.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.868 177.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 82.5 mt 59.73 39.18 21.22 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.087 175.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -100.06 42.9 1.87 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.676 -177.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 68.16 115.19 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.567 0.698 . . . . 0.0 112.408 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -19.11 62.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.044 175.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' A' ' 114' ' ' ARG . 46.6 mt-10 -59.92 -25.52 65.21 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.994 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.472 ' HA ' ' NE ' ' A' ' 114' ' ' ARG . 84.2 mt -65.12 -20.61 66.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.042 0.449 . . . . 0.0 110.638 178.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.475 ' HA ' ' OG ' ' A' ' 37' ' ' SER . 89.5 mt -95.95 -10.21 29.25 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.783 0.325 . . . . 0.0 110.557 176.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -110.19 20.22 18.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.592 -172.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.472 ' NE ' ' HA ' ' A' ' 111' ' ' LEU . 70.2 mtm180 -90.75 -165.12 1.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.767 0.317 . . . . 0.0 110.488 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.474 ' O ' HD13 ' A' ' 119' ' ' LEU . 8.3 tp10 -123.54 149.03 45.74 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 174.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 61.7 tp -51.57 -40.28 59.46 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 118.119 0.418 . . . . 0.0 111.429 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.76 -28.2 65.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.87 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.459 ' HG ' ' HB3' ' A' ' 115' ' ' GLU . 71.8 mt -85.99 -18.16 33.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.21 -177.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.474 HD13 ' O ' ' A' ' 115' ' ' GLU . 8.2 mp -77.22 110.9 12.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.504 0.668 . . . . 0.0 111.882 -173.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 22.0 t -106.54 161.64 5.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.236 172.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.417 ' OG ' ' HB3' ' A' ' 34' ' ' HIS . 20.7 t -87.03 165.5 15.77 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.756 0.312 . . . . 0.0 111.143 -171.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.164 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 168.938 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.4 pt . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 121.546 0.689 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.48 79.07 1.88 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.375 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -71.11 140.94 50.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.666 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -80.96 90.83 5.97 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.446 -176.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.412 ' HB1' ' O ' ' A' ' 62' ' ' TYR . . . -135.51 163.25 30.52 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.87 177.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.526 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 5.2 m-20 -62.77 111.09 1.96 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 176.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.6 m -112.41 96.36 5.96 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.781 0.324 . . . . 0.0 110.269 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -102.66 129.7 49.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.514 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.516 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 1.9 mp -96.57 104.76 16.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 167.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.5 mt -95.09 132.29 40.15 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.327 -174.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -120.91 90.33 3.3 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 171.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.72 -73.4 1.21 Allowed Glycine 0 N--CA 1.445 -0.733 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.527 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -137.64 -14.89 1.42 Allowed 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -173.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.6 ttt180 -95.88 144.68 26.01 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.572 -175.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -99.76 140.15 34.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.393 -175.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 14.1 m-90 -127.67 92.43 3.48 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 165.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -83.93 112.26 19.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.984 0.421 . . . . 0.0 110.283 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.414 HG22 ' N ' ' A' ' 32' ' ' LEU . 9.7 p -125.12 161.22 29.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.133 -173.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 32' ' ' LEU . 5.7 mp -85.37 135.98 33.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.635 174.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.9 tp -70.31 144.32 51.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.974 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.599 ' HB2' ' O ' ' A' ' 42' ' ' LEU . 8.9 m170 -114.78 -54.62 2.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.348 176.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -162.13 135.25 6.09 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.6 p -127.78 142.16 44.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 55.9 p -149.68 -168.78 3.2 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 121.328 0.585 . . . . 0.0 112.371 -172.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 40.3 tp -85.98 1.29 50.74 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.001 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.543 ' HA ' ' SG ' ' A' ' 87' ' ' CYS . 1.8 p80 -127.96 13.75 6.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.87 -176.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.475 ' HA3' ' O ' ' A' ' 85' ' ' PHE . . . 133.72 -147.49 19.06 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 120.259 -0.972 . . . . 0.0 112.275 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.0 tt -161.28 146.91 4.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.849 0.357 . . . . 0.0 110.692 -172.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.599 ' O ' ' HB2' ' A' ' 34' ' ' HIS . 51.4 tp -114.05 126.5 55.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.768 176.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.8 m -125.71 179.35 3.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.801 0.334 . . . . 0.0 110.558 178.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -142.12 91.83 0.18 Allowed Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -95.4 126.97 43.84 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.944 0.402 . . . . 0.0 111.807 -173.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -78.74 -10.9 15.55 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 123.004 2.47 . . . . 0.0 111.548 174.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -107.7 135.86 48.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.871 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -71.22 172.18 9.75 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.396 0.617 . . . . 0.0 111.39 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.492 ' CZ2' HD13 ' A' ' 83' ' ' LEU . 45.6 m95 -78.03 178.1 7.77 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -170.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 114.636 -1.166 . . . . 0.0 111.627 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 . . . . . 0 CA--C 1.509 -0.6 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.41 122.62 87.04 Favored Pre-proline 0 N--CA 1.44 -0.967 0 CA-C-N 113.425 -1.716 . . . . 0.0 110.274 174.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.67 140.47 62.28 Favored 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.554 2.169 . . . . 0.0 112.022 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -110.06 145.59 36.83 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.516 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 33.1 tt0 -118.68 123.59 45.28 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 174.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.401 ' HB3' ' CG ' ' A' ' 71' ' ' MET . . . -96.7 106.73 19.07 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 174.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.8 ttt85 -104.54 112.56 25.68 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.562 -175.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.618 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 77.2 mt -99.84 120.57 39.96 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.527 -176.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.526 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 9.8 m-85 -92.68 98.53 11.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.101 -178.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -95.08 -1.36 52.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.384 0.611 . . . . 0.0 109.503 175.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.88 -174.15 46.84 Favored Glycine 0 N--CA 1.441 -1.004 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.924 177.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -75.29 -38.66 60.24 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -94.55 -22.33 18.29 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.998 -176.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 55.2 t -99.96 104.86 16.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.57 -174.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -116.96 126.78 53.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.355 174.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.618 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 59.0 mt -99.38 104.03 15.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 172.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -104.28 136.22 44.28 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.142 0.496 . . . . 0.0 110.208 -178.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.401 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 14.7 ptp -134.13 112.06 10.82 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.138 173.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.52 ' HB3' ' HB3' ' A' ' 89' ' ' HIS . 10.6 tt0 -76.39 109.46 10.12 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 175.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.693 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 3.3 pt -123.68 151.28 28.32 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-O 121.498 0.666 . . . . 0.0 112.393 -166.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.3 m -108.55 120.4 42.33 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.695 176.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.7 tp -73.53 105.64 4.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.954 0.407 . . . . 0.0 110.328 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -112.11 -2.68 14.92 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.25 0.548 . . . . 0.0 109.724 175.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.408 ' HB2' HD21 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -123.05 141.97 51.38 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-O 122.248 1.023 . . . . 0.0 110.101 -177.147 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -162.27 107.35 1.21 Allowed 'General case' 0 C--N 1.286 -2.154 0 CA-C-N 113.25 -1.796 . . . . 0.0 110.039 -177.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -126.18 81.12 1.97 Allowed 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.067 -175.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.2 t70 62.51 -81.34 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.729 0.643 . . . . 0.0 111.796 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -119.19 -12.75 6.75 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.085 -0.578 . . . . 0.0 111.855 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.401 ' HB3' HD11 ' A' ' 42' ' ' LEU . 98.5 mt -89.48 115.04 26.61 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.492 HD13 ' CZ2' ' A' ' 49' ' ' TRP . 45.4 mt -107.81 126.13 52.26 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.416 -175.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -119.26 137.02 12.3 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.352 -176.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.693 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 29.6 m-85 -118.63 143.85 46.54 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 122.771 -0.252 . . . . 0.0 110.521 -178.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -94.91 142.67 27.2 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 171.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.543 ' SG ' ' HA ' ' A' ' 39' ' ' HIS . 9.0 p -72.61 114.75 11.08 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.244 0.545 . . . . 0.0 111.003 -177.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.414 ' HB3' ' O ' ' A' ' 72' ' ' GLU . 9.9 tt0 -96.44 -43.33 7.68 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.027 178.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.52 ' HB3' ' HB3' ' A' ' 72' ' ' GLU . 2.4 t-160 -150.0 98.97 2.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.944 176.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 46.5 mt -102.43 114.68 42.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 169.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -63.76 145.13 56.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.964 -176.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.7 mt -55.68 -37.64 68.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.788 -176.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -56.41 -52.4 64.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.626 175.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.532 ' HB3' HG23 ' A' ' 69' ' ' ILE . 60.0 m -63.9 -34.22 77.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.059 -178.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 72.5 mt -63.02 -44.38 99.59 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.087 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 175.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.1 m -62.52 -38.03 88.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.053 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -67.97 -44.65 76.22 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 177.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.79 -46.03 91.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.229 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -53.21 -48.99 67.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.87 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 19.3 tpp85 -68.63 -43.6 75.98 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.7 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 44.4 tp -57.45 -52.24 66.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.751 -177.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 95.3 t -61.62 -52.55 59.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.997 0.427 . . . . 0.0 110.901 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.88 -36.79 77.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.097 -177.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 44.5 tp -68.99 -32.77 72.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.188 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -96.43 10.61 37.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.317 -178.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 23.5 tp 68.04 27.99 6.86 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.48 0.657 . . . . 0.0 110.457 176.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -68.91 104.49 1.26 Allowed Glycine 0 N--CA 1.438 -1.232 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.575 176.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -42.48 119.42 1.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.058 0.456 . . . . 0.0 110.728 172.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.43 -22.21 66.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.435 -170.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 114' ' ' ARG . 92.4 mt-10 -65.41 -22.11 66.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.839 0.352 . . . . 0.0 110.555 -178.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 98.7 mt -63.26 -33.9 76.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.076 175.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.2 mt -79.84 -23.62 41.87 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.73 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -97.26 12.1 34.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.903 -170.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.425 ' HB3' ' HB2' ' A' ' 118' ' ' LEU . 84.8 mtm180 -82.01 -169.24 2.28 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 175.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.553 ' O ' HD13 ' A' ' 119' ' ' LEU . 0.4 OUTLIER -111.42 156.76 21.13 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 173.36 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.408 HD21 ' HB2' ' A' ' 77' ' ' TRP . 22.8 tp -53.32 -38.55 63.29 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 118.321 0.51 . . . . 0.0 110.844 176.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.54 -12.55 61.42 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 120.691 0.281 . . . . 0.0 111.721 176.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.425 ' HB2' ' HB3' ' A' ' 114' ' ' ARG . 86.4 mt -102.72 -5.69 23.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.803 0.335 . . . . 0.0 110.886 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 115' ' ' GLU . 7.2 mp -86.4 94.66 9.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.317 0.58 . . . . 0.0 110.328 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 26.1 t -88.42 144.84 8.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.367 -178.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 59.0 p -66.42 172.01 4.42 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.378 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.194 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.754 178.105 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.517 HG21 HG13 ' A' ' 102' ' ' VAL . 8.6 pt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.168 0.509 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.06 106.13 11.69 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.91 0.386 . . . . 0.0 110.825 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -106.92 125.26 50.78 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.271 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -78.43 100.44 6.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.424 -176.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -133.62 165.02 25.89 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.894 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -71.55 113.11 8.24 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.3 t -115.78 111.71 20.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.879 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.457 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 28.4 mt-10 -107.8 123.17 48.16 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.744 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.501 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 68.7 mt -97.49 119.16 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 171.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.676 HD21 HH11 ' A' ' 60' ' ' ARG . 1.8 pt? -141.69 160.82 39.4 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.423 0.63 . . . . 0.0 111.791 -174.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -130.69 77.96 1.81 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.6 -1.182 . . . . 0.0 108.431 172.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.6 -88.43 0.35 Allowed Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.856 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -89.83 -30.4 17.96 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -173.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -97.85 123.98 42.05 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -174.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -136.36 131.34 34.12 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.018 0.437 . . . . 0.0 111.46 -174.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 40.8 p90 -142.63 134.2 26.57 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.648 176.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.528 ' H ' ' CD ' ' A' ' 30' ' ' GLU . 0.7 OUTLIER -87.43 151.2 23.25 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.312 0.577 . . . . 0.0 111.134 -175.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.408 HG23 ' HD3' ' A' ' 46' ' ' PRO . 14.4 p -135.17 157.37 40.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.159 -176.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.413 HD22 ' N ' ' A' ' 32' ' ' LEU . 1.5 mm? -87.49 125.67 34.45 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.9 tp -75.6 143.64 42.22 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.831 -178.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -127.49 -70.84 0.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.274 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.721 ' OD2' ' HA ' ' A' ' 121' ' ' SER . 2.4 m-20 -130.1 158.62 39.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.419 -178.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.8 p -155.87 154.48 6.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.266 -178.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.501 ' HA ' HD23 ' A' ' 112' ' ' LEU . 59.5 p -155.37 -172.26 4.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.597 0.237 . . . . 0.0 110.536 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.601 ' HG ' ' HB3' ' A' ' 112' ' ' LEU . 25.9 mt -85.2 7.64 21.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.439 0.638 . . . . 0.0 109.286 177.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -110.67 -14.2 14.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.547 -176.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.483 ' HA3' ' O ' ' A' ' 85' ' ' PHE . . . 150.84 -137.6 6.17 Favored Glycine 0 N--CA 1.44 -1.087 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.64 -176.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.7 tt -161.62 149.29 4.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 -172.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 34.5 tp -127.9 117.12 21.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.916 0.389 . . . . 0.0 110.126 -177.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.8 m -126.29 -175.03 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.031 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -158.97 154.1 25.19 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.294 -0.955 . . . . 0.0 112.242 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 52.0 tp60 109.79 -30.58 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.094 0 C-N-CA 125.181 1.392 . . . . 0.0 114.718 172.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.408 ' HD3' HG23 ' A' ' 31' ' ' VAL . 74.2 Cg_exo -52.08 110.32 0.43 Allowed 'Trans proline' 0 C--N 1.363 1.325 0 CA-C-N 122.024 1.759 . . . . 0.0 111.567 173.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -69.98 -30.44 67.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.327 -171.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -150.24 -179.17 6.98 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.613 ' CZ2' HD13 ' A' ' 83' ' ' LEU . 94.6 m95 -134.75 -79.71 0.45 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.183 0.516 . . . . 0.0 110.69 -177.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.2 p30 . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.627 179.769 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 . . . . . 0 C--O 1.233 0.2 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -74.59 118.91 73.76 Favored Pre-proline 0 N--CA 1.448 -0.529 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.479 175.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.92 125.26 17.69 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.946 2.43 . . . . 0.0 112.778 -175.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -102.14 131.46 48.62 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 177.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.501 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 46.3 mt-10 -104.56 119.72 39.64 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.479 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -104.59 114.63 28.97 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 176.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.676 HH11 HD21 ' A' ' 23' ' ' LEU . 77.4 mtt85 -115.71 117.81 31.3 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.384 179.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.813 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 82.9 mt -99.73 107.3 19.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.119 -177.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -83.69 100.08 10.64 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.385 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.1 tp -98.02 -15.05 20.22 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.813 0.816 . . . . 0.0 109.096 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -161.75 -162.6 13.27 Favored Glycine 0 N--CA 1.442 -0.912 0 CA-C-N 114.478 -1.237 . . . . 0.0 110.171 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.6 mp -84.73 -32.67 23.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 117.241 0.521 . . . . 0.0 109.962 178.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -115.97 -11.59 11.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.457 176.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.4 t -86.88 84.38 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.374 0.606 . . . . 0.0 109.441 177.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.671 HD11 ' HB3' ' A' ' 60' ' ' ARG . 61.0 tp -115.11 118.38 33.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.522 -177.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.813 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 62.1 mt -89.43 97.56 7.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 173.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -103.18 125.48 49.89 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.271 0.557 . . . . 0.0 110.337 -176.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.5 ptm -137.67 121.86 18.03 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.532 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.532 ' HB3' ' HB3' ' A' ' 89' ' ' HIS . 35.8 tt0 -83.07 123.82 29.86 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 175.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.697 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 6.4 pt -132.55 157.05 42.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-O 121.64 0.733 . . . . 0.0 112.014 -170.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.6 t -121.98 124.92 45.16 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.144 -0.934 . . . . 0.0 108.785 176.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.7 tp -64.5 107.59 1.42 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.915 0.388 . . . . 0.0 110.467 -177.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -109.88 -4.79 15.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.422 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -129.86 149.12 51.73 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.848 -178.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -162.03 118.72 2.07 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-N 114.396 -1.275 . . . . 0.0 110.502 -176.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 79' ' ' ARG . 3.7 tpt180 -142.89 73.43 1.4 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.033 178.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 56.46 -90.58 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.052 -179.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.0 -25.92 18.16 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.268 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 98.7 mt -88.2 135.0 33.64 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.613 HD13 ' CZ2' ' A' ' 49' ' ' TRP . 21.2 mt -135.51 131.82 36.54 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.67 0.271 . . . . 0.0 110.784 -174.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -122.42 139.27 12.52 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.434 -0.888 . . . . 0.0 112.269 -176.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.697 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 73.1 m-85 -118.18 144.96 45.3 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 120.795 0.331 . . . . 0.0 110.867 -177.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -93.83 130.57 39.81 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 172.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.537 ' HA ' HG22 ' A' ' 73' ' ' ILE . 27.1 p -68.85 126.89 31.18 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.754 0.312 . . . . 0.0 110.235 -179.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -112.89 -29.2 7.46 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.759 -177.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.532 ' HB3' ' HB3' ' A' ' 72' ' ' GLU . 3.6 t-160 -159.93 99.45 1.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.28 179.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 46.6 mt -106.22 132.47 53.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 176.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.44 ' O ' HG13 ' A' ' 95' ' ' ILE . 14.5 t70 -75.33 146.15 41.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.481 -178.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.28 -38.77 84.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.43 -176.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.36 -39.75 94.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.218 0.532 . . . . 0.0 109.874 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.531 ' HB3' HG23 ' A' ' 69' ' ' ILE . 39.4 m -66.29 -37.97 86.68 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.561 178.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 91' ' ' ASP . 74.2 mt -63.37 -44.49 99.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.477 177.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 100' ' ' ARG . 44.5 m -62.31 -40.2 95.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.978 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -63.62 -45.29 90.98 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 120.781 0.324 . . . . 0.0 110.428 176.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.406 ' O ' HG23 ' A' ' 102' ' ' VAL . 53.3 tp -59.54 -56.99 14.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.841 -174.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -67.46 -40.48 85.34 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.278 -175.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 96' ' ' SER . 0.0 OUTLIER -61.86 -38.0 86.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.712 0.292 . . . . 0.0 110.636 177.81 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.459 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 43.3 tp -62.68 -53.77 49.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.104 177.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.517 HG13 HG21 ' A' ' 14' ' ' ILE . 65.3 t -59.74 -34.13 54.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.178 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -62.45 -52.7 62.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.879 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.9 mp -74.9 -21.8 59.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.896 0.379 . . . . 0.0 110.773 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 101' ' ' LEU . 7.1 t-20 -75.8 -19.85 58.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.456 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 63.72 40.44 7.77 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.824 -178.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -92.65 -9.59 61.18 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.74 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.5 t70 72.08 146.12 0.07 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.448 0.699 . . . . 0.0 110.794 -178.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -85.28 -4.34 59.12 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -173.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.576 ' O ' ' HG3' ' A' ' 114' ' ' ARG . 31.2 tt0 -59.97 -41.3 91.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.984 0.421 . . . . 0.0 110.408 -178.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 48.2 mt -57.79 -37.76 74.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.024 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.601 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . 96.6 mt -74.35 -25.06 59.29 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.517 -176.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -128.87 37.91 4.02 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.25 0.547 . . . . 0.0 111.721 -170.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' A' ' 110' ' ' GLU . 73.5 mtm180 -93.14 -92.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 166.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -172.98 166.08 5.06 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 175.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.4 tp -68.31 -43.09 78.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 118.003 0.365 . . . . 0.0 110.075 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.65 -17.56 64.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.02 0.438 . . . . 0.0 110.707 174.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 85.8 mt -97.74 7.16 46.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.415 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.2 mp -119.82 117.87 29.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.342 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.5 t -126.87 141.42 46.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.721 ' HA ' ' OD2' ' A' ' 35' ' ' ASP . 38.9 p -61.47 169.03 2.47 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 123.524 0.515 . . . . 0.0 111.483 -175.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.365 0 O-C-N 123.808 0.693 . . . . 0.0 111.949 179.872 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.497 HG21 HG12 ' A' ' 36' ' ' VAL . 49.6 mm . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 120.573 0.225 . . . . 0.0 110.581 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 178.71 98.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 O-C-N 124.212 0.945 . . . . 0.0 109.38 175.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -115.35 156.24 25.87 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.05 -179.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -72.75 98.4 2.39 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.947 0.879 . . . . 0.0 110.39 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.57 150.9 49.83 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.267 175.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.543 ' HB3' ' HB2' ' A' ' 62' ' ' TYR . 9.2 t70 -87.29 130.16 34.71 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 177.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.424 ' HB3' HD23 ' A' ' 61' ' ' LEU . 4.1 p -130.92 124.58 31.43 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -172.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.557 ' OE2' ' HD3' ' A' ' 28' ' ' ARG . 47.6 mt-10 -109.05 126.36 53.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.743 172.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.593 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 1.8 mp -109.3 110.98 34.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 171.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -129.74 147.63 51.54 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.171 0.51 . . . . 0.0 112.133 -171.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.606 HE21 ' HH2' ' A' ' 29' ' ' TRP . 22.3 pt20 -117.22 100.23 7.57 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.493 172.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.98 -94.6 0.37 Allowed Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.867 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -109.88 -11.1 14.71 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -174.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 27' ' ' ARG . 8.4 tpp180 -103.47 116.44 32.4 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 -178.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.557 ' HD3' ' OE2' ' A' ' 21' ' ' GLU . 10.6 ptp180 -117.15 139.79 50.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.041 0.448 . . . . 0.0 111.648 -175.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.606 ' HH2' HE21 ' A' ' 24' ' ' GLN . 28.4 m-90 -117.38 108.01 15.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.577 175.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -71.57 105.29 3.59 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 172.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.806 HG22 ' H ' ' A' ' 32' ' ' LEU . 5.5 p -131.5 -177.77 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.131 -169.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.806 ' H ' HG22 ' A' ' 31' ' ' VAL . 95.3 mt -96.72 119.3 34.94 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -174.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.447 HD22 HD22 ' A' ' 61' ' ' LEU . 29.4 tp -72.01 146.21 47.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.125 171.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 -133.73 -87.32 0.41 Allowed 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 119.661 -0.209 . . . . 0.0 110.807 177.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -118.51 162.89 17.6 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 -173.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.497 HG12 HG21 ' A' ' 14' ' ' ILE . 14.4 p -163.67 144.3 2.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 121.43 0.634 . . . . 0.0 111.86 -175.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.7 p -125.58 -175.99 3.48 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 173.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.7 mt -84.83 0.81 49.57 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.012 0.434 . . . . 0.0 110.66 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.646 ' ND1' ' HA ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -113.9 -18.63 11.72 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.113 0.483 . . . . 0.0 110.341 -178.752 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.74 159.15 24.05 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.353 -172.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.3 tt -122.41 144.88 30.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 -177.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.649 HD11 ' HB3' ' A' ' 82' ' ' LEU . 49.6 tp -118.74 111.59 18.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.96 0.41 . . . . 0.0 110.473 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.3 m -112.33 163.27 9.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.303 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -108.65 89.97 0.59 Allowed Glycine 0 N--CA 1.441 -0.989 0 C-N-CA 120.29 -0.957 . . . . 0.0 111.2 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -116.57 101.77 53.54 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-O 120.879 0.371 . . . . 0.0 110.844 -175.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -86.32 18.75 1.51 Allowed 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 123.053 2.502 . . . . 0.0 110.901 174.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -104.12 114.59 28.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.795 -177.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -71.19 156.15 39.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.19 0.519 . . . . 0.0 111.108 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -148.57 -167.7 2.89 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.776 177.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.576 HD21 ' HG3' ' A' ' 55' ' ' ARG . 28.1 p-10 . . . . . 0 C--N 1.331 -0.219 0 CA-C-O 120.782 0.325 . . . . 0.0 110.516 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.068 0.461 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.576 ' HG3' HD21 ' A' ' 50' ' ' ASN . 8.5 mmt180 -102.71 109.94 62.11 Favored Pre-proline 0 N--CA 1.449 -0.48 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.501 177.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -57.39 123.0 12.75 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 123.271 2.647 . . . . 0.0 112.503 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.597 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 40.9 m-85 -108.26 134.99 50.33 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.109 0.48 . . . . 0.0 110.033 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.593 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 39.6 mt-10 -103.97 128.43 51.51 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.351 -178.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -105.61 107.3 18.22 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 174.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.603 ' HG2' HD11 ' A' ' 68' ' ' LEU . 15.1 ttp180 -110.52 112.36 24.23 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -177.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.973 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 95.7 mt -99.91 123.71 44.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.906 -176.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.543 ' HB2' ' HB3' ' A' ' 19' ' ' ASP . 74.2 m-85 -104.46 112.76 25.95 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.989 -178.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 63' ' ' LEU . 4.0 mm? -100.95 -14.98 17.66 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 167.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.71 179.11 46.97 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 176.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 73.4 mt -77.16 -14.78 59.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 117.95 0.875 . . . . 0.0 110.173 175.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -92.56 -50.78 5.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.374 176.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.4 t -90.05 99.75 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.426 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.603 HD11 ' HG2' ' A' ' 60' ' ' ARG . 60.2 tp -116.7 125.25 51.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.33 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.973 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 39.0 mt -100.02 131.61 47.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 175.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -137.08 120.25 16.7 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.004 0.431 . . . . 0.0 111.116 -170.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.7 ptm -145.34 128.97 17.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.026 0.441 . . . . 0.0 110.867 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.512 ' HB3' ' HB3' ' A' ' 89' ' ' HIS . 63.7 tt0 -90.57 130.12 36.64 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.626 177.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.56 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 11.5 pt -133.54 153.48 37.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.37 -173.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.436 ' HB2' ' CD ' ' A' ' 88' ' ' GLN . 32.8 t -108.19 145.62 33.97 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.445 177.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.597 ' HB2' ' CE1' ' A' ' 57' ' ' PHE . 57.8 tp -74.01 111.54 9.28 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.516 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -91.51 -53.0 4.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.772 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 56.1 p-90 -153.58 140.75 19.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.094 0.473 . . . . 0.0 111.475 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.547 ' HA ' ' HG ' ' A' ' 83' ' ' LEU . . . -118.42 100.03 7.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.784 176.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -96.64 74.59 2.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.661 -176.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 62.17 -77.91 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.564 -0.743 . . . . 0.0 112.505 178.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -110.2 -22.53 6.47 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.44 -178.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.649 ' HB3' HD11 ' A' ' 42' ' ' LEU . 79.7 mt -106.23 116.73 32.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.755 0.312 . . . . 0.0 110.564 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.547 ' HG ' ' HA ' ' A' ' 78' ' ' ALA . 8.0 mp -111.58 126.72 55.3 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.028 0.442 . . . . 0.0 111.254 -179.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.11 128.97 9.47 Favored Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.45 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.56 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 94.0 m-85 -114.02 149.05 35.98 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.959 0.409 . . . . 0.0 111.514 -176.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -87.37 124.21 33.14 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.723 175.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.502 ' HA ' HG22 ' A' ' 73' ' ' ILE . 87.5 m -78.67 120.98 24.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.881 0.372 . . . . 0.0 110.923 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.436 ' CD ' ' HB2' ' A' ' 74' ' ' SER . 35.9 mt-30 -110.63 -67.29 1.0 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.255 -175.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.512 ' HB3' ' HB3' ' A' ' 72' ' ' GLU . 83.6 t60 -116.74 101.04 8.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.568 -175.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.484 HD11 ' HB3' ' A' ' 87' ' ' CYS . 44.2 mt -109.63 132.18 58.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.785 179.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.524 ' O ' HG13 ' A' ' 95' ' ' ILE . 11.5 t70 -76.32 145.28 39.65 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.115 -179.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 98.2 mt -65.54 -42.35 92.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.668 -176.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -63.68 -39.72 95.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.194 0.521 . . . . 0.0 109.75 176.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.466 ' HB3' ' O ' ' A' ' 91' ' ' ASP . 30.2 t -55.57 -48.65 74.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.485 173.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 91' ' ' ASP . 73.7 mt -58.57 -44.44 89.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.566 178.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 47.6 t -56.36 -45.46 80.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.732 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -63.42 -49.78 72.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 110.605 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.81 -54.8 25.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.953 -173.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -68.34 -36.84 79.85 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.463 -173.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.451 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 36.5 ttp85 -70.56 -29.95 66.54 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.35 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 55.7 tp -64.53 -40.35 95.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.071 0.462 . . . . 0.0 109.972 175.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.826 HG21 HD11 ' A' ' 112' ' ' LEU . 59.2 t -64.97 -41.6 92.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.277 176.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -55.84 -50.42 70.64 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.712 174.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 96.3 mt -60.79 -30.47 70.06 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.898 -178.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -91.99 -16.58 26.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.403 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.0 mp 56.24 39.33 30.26 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.444 -176.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -90.28 27.35 8.56 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.648 -0.705 . . . . 0.0 113.305 -175.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.7 t70 70.16 131.13 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 121.293 0.568 . . . . 0.0 112.104 176.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -87.4 -18.96 28.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.603 -178.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -70.34 -19.38 63.06 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.941 -0.303 . . . . 0.0 110.238 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.81 ' HA ' ' HD2' ' A' ' 114' ' ' ARG . 76.2 mt -68.95 -23.78 64.19 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 120.861 0.362 . . . . 0.0 110.372 173.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.826 HD11 HG21 ' A' ' 102' ' ' VAL . 99.5 mt -87.43 -9.89 53.43 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.281 0.562 . . . . 0.0 109.584 174.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -122.93 29.96 6.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.351 -173.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.81 ' HD2' ' HA ' ' A' ' 111' ' ' LEU . 6.2 mtp180 -77.64 -97.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 172.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.646 ' HA ' ' ND1' ' A' ' 39' ' ' HIS . 0.0 OUTLIER 178.05 158.38 0.45 Allowed 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 172.435 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 56.1 tp -58.56 -39.29 79.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 118.238 0.472 . . . . 0.0 110.119 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -74.98 -10.63 59.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.304 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 79.2 mt -104.02 -0.48 28.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.778 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' ' 115' ' ' GLU . 5.4 mp -89.73 104.48 17.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.395 0.617 . . . . 0.0 111.523 -178.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.8 HG12 ' H ' ' A' ' 121' ' ' SER . 2.7 t -95.48 -168.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 173.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.8 ' H ' HG12 ' A' ' 120' ' ' VAL . 6.7 p -80.43 171.59 14.86 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 121.871 -0.518 . . . . 0.0 110.428 -179.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.292 0 CA-C-O 120.949 0.404 . . . . 0.0 111.128 -179.39 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 26.7 mm . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 34' ' ' HIS . . . -163.01 120.98 1.99 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.285 178.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -105.52 159.31 16.04 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -178.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -95.51 30.15 2.36 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.784 0.802 . . . . 0.0 109.511 173.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.51 144.84 41.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.815 175.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -67.89 123.82 21.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.96 0.41 . . . . 0.0 110.358 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.4 t -123.18 130.73 53.15 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.113 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -124.98 122.77 38.28 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.944 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.519 HG13 HG11 ' A' ' 31' ' ' VAL . 53.1 mt -97.01 130.96 44.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 176.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.522 ' HB2' ' HB2' ' A' ' 58' ' ' GLU . 17.8 mt -121.85 140.36 52.48 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.469 -172.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.02 80.41 1.7 Allowed 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 167.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.68 -98.38 0.24 Allowed Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.955 -175.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -89.04 -22.59 22.88 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.562 0.22 . . . . 0.0 111.409 -178.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -82.7 113.53 20.43 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 120.774 0.321 . . . . 0.0 110.482 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -108.92 126.66 53.31 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.606 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 7.6 m-90 -121.17 121.7 38.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.539 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -81.91 104.96 12.65 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 174.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.519 HG11 HG13 ' A' ' 22' ' ' ILE . 10.9 p -106.92 158.55 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.718 -167.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tt -87.12 110.04 19.85 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 175.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.7 tp -66.57 140.48 57.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.079 -178.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.458 ' O ' ' HA ' ' A' ' 15' ' ' ALA . 47.3 m-70 -127.65 -95.66 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.366 177.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.58 ' OD2' ' HA ' ' A' ' 121' ' ' SER . 1.5 m-20 -118.73 148.47 42.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.64 0.257 . . . . 0.0 110.312 -170.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.8 p -140.63 151.72 20.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.717 0.294 . . . . 0.0 111.074 -175.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 77.4 p -142.94 -176.38 4.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.823 176.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 46.1 tp -83.35 -4.91 58.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.512 0.672 . . . . 0.0 109.624 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.623 ' ND1' ' HA ' ' A' ' 115' ' ' GLU . 6.3 m170 -98.45 -17.23 18.88 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-O 121.798 0.809 . . . . 0.0 109.475 -176.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.612 ' HA3' ' O ' ' A' ' 85' ' ' PHE . . . 154.72 -150.75 22.39 Favored Glycine 0 N--CA 1.442 -0.915 0 CA-C-N 114.424 -1.262 . . . . 0.0 112.006 -175.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.2 tt -153.8 150.27 12.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.723 0.261 . . . . 0.0 111.063 -173.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.568 HD11 ' HB3' ' A' ' 82' ' ' LEU . 24.8 tp -122.24 123.52 41.65 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.416 HG21 HD11 ' A' ' 22' ' ' ILE . 35.4 m -128.97 178.57 4.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.841 0.353 . . . . 0.0 111.46 -177.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -120.24 108.42 1.44 Allowed Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 174.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.463 ' OE1' ' HD2' ' A' ' 46' ' ' PRO . 7.5 tp60 -101.48 134.27 20.36 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-O 120.47 0.176 . . . . 0.0 111.423 -171.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.463 ' HD2' ' OE1' ' A' ' 45' ' ' GLN . 53.3 Cg_endo -70.73 172.31 13.83 Favored 'Trans proline' 0 C--O 1.236 0.398 0 C-N-CA 122.666 2.244 . . . . 0.0 111.531 172.29 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -75.44 88.26 2.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.0 0.429 . . . . 0.0 112.087 -176.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -166.33 20.25 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.818 0.818 . . . . 0.0 108.863 171.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 51.0 t-105 -70.07 130.03 41.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.8 -174.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.399 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 . . . . . 0 N--CA 1.451 -0.397 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.418 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 10.2 mmt180 -109.88 129.41 23.96 Favored Pre-proline 0 N--CA 1.447 -0.6 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.006 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.62 133.83 60.48 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.867 2.378 . . . . 0.0 111.505 172.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 29.0 m-85 -115.08 145.61 42.15 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.522 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 45.4 mt-10 -118.39 141.52 48.46 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.645 0.26 . . . . 0.0 110.823 -178.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.453 ' HB3' ' CG ' ' A' ' 71' ' ' MET . . . -116.82 113.28 22.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.234 175.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -104.59 114.96 29.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.024 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.616 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 86.3 mt -110.08 120.0 41.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.775 0.322 . . . . 0.0 111.181 -177.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -93.64 111.04 22.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.895 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 63' ' ' LEU . 4.0 mm? -112.34 -4.44 14.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.406 0.622 . . . . 0.0 109.777 176.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.83 -178.48 48.06 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 178.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.7 mp -72.34 -34.85 68.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.172 0.486 . . . . 0.0 110.137 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -99.77 -29.76 12.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.831 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -84.29 87.44 2.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.194 0.521 . . . . 0.0 110.674 -176.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.2 tp -109.9 120.05 41.27 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.71 177.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.616 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 69.3 mt -105.95 114.06 44.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.188 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 -112.09 149.94 31.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.059 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.453 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 23.1 ptm -150.15 121.99 8.15 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.967 175.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.407 ' HB2' ' HB3' ' A' ' 89' ' ' HIS . 43.2 mt-10 -82.67 126.79 32.74 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.59 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 5.8 pt -137.87 177.96 4.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.948 -172.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.563 ' HB2' ' NE2' ' A' ' 88' ' ' GLN . 18.3 t -146.18 160.46 41.93 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 170.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.573 ' HB2' ' CE1' ' A' ' 57' ' ' PHE . 11.9 tp -77.56 124.01 27.36 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.111 -0.635 . . . . 0.0 110.835 -175.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -135.12 12.72 3.58 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.217 0.532 . . . . 0.0 110.208 177.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.709 ' HB2' HD21 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -160.22 147.5 16.21 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.365 -176.864 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -162.3 115.32 1.73 Allowed 'General case' 0 C--N 1.292 -1.901 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.638 -178.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.487 ' HB2' ' CZ3' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -136.23 84.33 2.07 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 175.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 50.34 37.38 15.16 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 168.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 127.21 -39.19 1.99 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.617 -0.802 . . . . 0.0 111.545 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.568 ' HB3' HD11 ' A' ' 42' ' ' LEU . 94.6 mt -80.81 113.18 18.83 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 175.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.471 ' O ' ' HA ' ' A' ' 42' ' ' LEU . 83.4 mt -105.38 128.16 53.36 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.255 -177.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.521 ' HA3' ' HB3' ' A' ' 77' ' ' TRP . . . -109.75 132.45 11.05 Favored Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 178.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.612 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 91.5 m-85 -116.38 139.79 50.04 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 120.782 0.325 . . . . 0.0 110.982 -176.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -87.15 131.91 34.02 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 173.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.58 ' HA ' HG22 ' A' ' 73' ' ' ILE . 28.5 p -75.68 137.86 40.95 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.016 0.436 . . . . 0.0 111.423 -175.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.563 ' NE2' ' HB2' ' A' ' 74' ' ' SER . 66.6 mt-30 -109.22 -65.14 1.17 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.173 174.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 72' ' ' GLU . 49.0 t60 -130.13 105.62 8.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.052 -177.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 26.4 mt -111.19 112.56 41.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 170.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.432 ' O ' HG13 ' A' ' 95' ' ' ILE . 6.5 m-20 -59.93 141.06 56.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.418 -178.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 34.3 tp -60.19 -27.2 66.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.359 0.599 . . . . 0.0 109.829 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.16 -48.69 69.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.223 177.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.54 ' HB2' HG23 ' A' ' 69' ' ' ILE . 9.7 p -70.41 -33.07 70.94 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.524 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 91' ' ' ASP . 81.7 mt -58.44 -49.25 82.83 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 172.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.1 t -56.93 -46.39 82.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.911 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -62.48 -47.08 85.55 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.055 -178.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.453 ' HB2' HD13 ' A' ' 69' ' ' ILE . 51.7 tp -70.57 -44.49 67.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.29 -175.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 30.7 ttp85 -64.98 -43.43 92.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.578 -177.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -70.27 -26.41 63.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.537 -177.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 63.3 tp -61.24 -46.19 91.41 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.212 0.529 . . . . 0.0 109.624 174.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 49.3 t -67.06 -37.77 79.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.288 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -60.29 -53.98 51.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.236 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.89 -24.96 66.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.599 -176.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -95.19 0.0 53.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.243 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 79.5 mt 51.87 41.7 29.59 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.232 0.539 . . . . 0.0 110.865 -178.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -83.62 1.7 88.36 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.755 -176.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 64.69 104.96 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 123.141 0.576 . . . . 0.0 111.18 -178.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -73.4 1.97 8.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.668 -176.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -57.31 -41.9 80.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.811 174.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.444 ' HA ' ' HG3' ' A' ' 114' ' ' ARG . 74.2 mt -74.76 -8.99 58.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.494 -174.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.497 ' O ' HD23 ' A' ' 112' ' ' LEU . 7.9 tt -86.22 -10.75 54.08 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 177.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.417 ' O ' ' HE1' ' A' ' 39' ' ' HIS . 30.5 tt0 -105.26 11.89 32.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.037 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.494 ' HB2' ' CD1' ' A' ' 119' ' ' LEU . 80.7 mtm180 -70.88 130.42 41.59 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 174.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.623 ' HA ' ' ND1' ' A' ' 39' ' ' HIS . 7.4 tp10 -62.98 161.07 13.67 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.709 HD21 ' HB2' ' A' ' 77' ' ' TRP . 36.3 tp -57.41 -42.1 81.62 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 118.075 0.398 . . . . 0.0 110.343 175.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.75 -23.21 67.08 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.735 172.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.573 ' HG ' ' HB3' ' A' ' 115' ' ' GLU . 68.9 mt -96.06 -7.08 37.15 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.092 0.472 . . . . 0.0 110.527 178.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.494 ' CD1' ' HB2' ' A' ' 114' ' ' ARG . 5.3 tp -89.76 80.39 6.55 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 121.38 0.609 . . . . 0.0 110.412 -169.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 8.9 p -97.39 150.12 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 172.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.58 ' HA ' ' OD2' ' A' ' 35' ' ' ASP . 9.8 t -81.15 165.23 21.74 Favored 'General case' 0 C--N 1.313 -0.985 0 C-N-CA 120.32 -0.552 . . . . 0.0 111.407 -170.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.537 170.946 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.0 pt . . . . . 0 CA--C 1.519 -0.217 0 CA-C-O 121.532 0.682 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.467 ' HA ' HD22 ' A' ' 33' ' ' LEU . . . -128.08 84.38 2.24 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.853 -176.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -77.0 142.52 39.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.607 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -69.74 90.22 0.58 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.621 0.724 . . . . 0.0 111.564 -176.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -131.91 116.03 16.65 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.98 -1.009 . . . . 0.0 108.71 174.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.479 ' O ' ' HD2' ' A' ' 62' ' ' TYR . 64.7 m-20 -56.91 120.78 8.52 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -178.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' A' ' 60' ' ' ARG . 23.2 t -107.2 110.08 22.05 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.21 -177.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -96.82 120.3 36.9 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 175.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.5 HD12 HE21 ' A' ' 45' ' ' GLN . 65.9 mt -96.62 113.78 31.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.56 175.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.443 HD22 ' HG2' ' A' ' 28' ' ' ARG . 61.8 mt -99.21 137.65 37.42 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.69 -177.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -109.52 37.42 2.63 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 170.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.23 -62.59 4.54 Favored Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.35 -173.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.526 ' HG3' ' HG3' ' A' ' 27' ' ' ARG . 12.7 pt-20 -100.76 -37.63 8.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.645 0.259 . . . . 0.0 111.527 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.526 ' HG3' ' HG3' ' A' ' 26' ' ' GLU . 51.5 mtp85 -88.08 139.44 30.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.629 0.252 . . . . 0.0 111.023 -174.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.443 ' HG2' HD22 ' A' ' 23' ' ' LEU . 98.6 mtt180 -121.65 111.21 16.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.623 -177.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 -110.98 103.47 11.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.309 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -79.17 108.89 13.0 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 174.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.6 p -123.33 159.35 27.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.152 -172.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.2 mp -88.07 141.24 28.73 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.758 177.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.475 HD11 ' HB ' ' A' ' 36' ' ' VAL . 8.7 tt -83.75 131.47 34.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.672 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -103.73 -43.38 5.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.761 0.315 . . . . 0.0 110.791 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -160.09 137.23 9.38 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 175.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.475 ' HB ' HD11 ' A' ' 33' ' ' LEU . 14.7 p -129.07 149.41 33.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.772 0.32 . . . . 0.0 110.3 -175.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.8 p -164.98 -168.01 1.34 Allowed 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 120.585 0.231 . . . . 0.0 111.164 -177.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.4 mt -89.94 -15.48 31.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.23 -177.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -98.09 5.9 48.14 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.004 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.55 -159.91 24.62 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.305 -0.95 . . . . 0.0 112.624 -178.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.9 tt -159.28 149.54 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.634 0.254 . . . . 0.0 110.415 -174.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.427 HD22 ' O ' ' A' ' 119' ' ' LEU . 38.5 tp -116.45 129.54 56.27 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.277 176.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.2 m -127.1 170.58 16.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.197 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -132.23 100.11 0.41 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.984 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.5 HE21 HD12 ' A' ' 22' ' ' ILE . 69.0 mt-30 -95.69 147.58 33.23 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-O 120.587 0.232 . . . . 0.0 110.509 -179.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 45' ' ' GLN . 24.4 Cg_exo -62.76 -77.03 0.02 OUTLIER 'Trans proline' 0 CA--C 1.533 0.471 0 C-N-CA 123.054 2.503 . . . . 0.0 113.762 -177.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -140.67 -40.6 0.41 Allowed 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -174.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -70.11 108.0 3.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.82 0.343 . . . . 0.0 110.845 -175.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -167.56 137.84 2.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.817 -177.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 . . . . . 0 C--N 1.324 -0.513 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 177.137 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 . . . . . 0 CA--C 1.511 -0.544 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 55' ' ' ARG . 9.6 ttm180 -111.48 113.52 53.51 Favored Pre-proline 0 N--CA 1.433 -1.28 0 CA-C-N 114.25 -1.341 . . . . 0.0 110.251 -172.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.73 112.92 1.09 Allowed 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.988 2.459 . . . . 0.0 112.667 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.419 ' O ' HG12 ' A' ' 73' ' ' ILE . 41.4 m-85 -106.47 134.7 49.2 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 177.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 43.0 mt-10 -108.2 114.13 27.79 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.193 -171.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.83 121.98 39.28 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.771 0.32 . . . . 0.0 110.649 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.447 ' O ' ' HA ' ' A' ' 20' ' ' SER . 70.7 mtp180 -111.41 113.4 25.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.25 178.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.646 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 97.8 mt -99.83 114.03 26.94 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.081 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.479 ' HD2' ' O ' ' A' ' 19' ' ' ASP . 87.3 m-85 -94.32 103.77 15.77 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.225 -177.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.503 HD23 HD13 ' A' ' 69' ' ' ILE . 4.3 mm? -97.09 -4.17 39.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.899 0.857 . . . . 0.0 108.728 171.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.84 -159.22 25.67 Favored Glycine 0 N--CA 1.441 -0.983 0 N-CA-C 109.771 -1.332 . . . . 0.0 109.771 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.7 tp -101.91 -28.34 12.46 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 176.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -92.43 -17.5 24.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.06 176.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.6 t -105.31 99.81 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.746 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.6 tp -125.59 100.7 6.57 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.747 -175.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.646 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 2.3 mp -84.64 101.78 9.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -109.64 119.84 40.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.107 0.479 . . . . 0.0 110.609 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.8 ptp -125.66 131.35 52.65 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.317 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.545 ' HB3' ' HB3' ' A' ' 89' ' ' HIS . 34.9 tt0 -97.84 104.26 16.27 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.534 HG22 ' HA ' ' A' ' 87' ' ' CYS . 4.0 pt -110.31 169.95 3.49 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.359 -168.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.557 ' HB2' HE21 ' A' ' 88' ' ' GLN . 23.2 t -120.04 136.89 54.4 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.629 178.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.2 tp -68.62 122.37 18.36 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.309 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.487 ' HB2' ' HG3' ' A' ' 86' ' ' GLU . . . -94.72 -56.32 2.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.897 0.38 . . . . 0.0 110.564 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 65.8 p-90 -144.19 147.45 33.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.77 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -130.34 122.91 28.78 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.785 177.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -132.03 103.08 6.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.649 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.3 t70 64.77 -84.45 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.228 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -128.47 -10.33 3.35 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.995 178.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 80.4 mt -85.31 116.2 23.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.932 0.396 . . . . 0.0 110.07 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 41.5 mt -113.58 114.66 26.78 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.206 -175.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -100.57 121.38 7.22 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 121.015 -0.612 . . . . 0.0 111.809 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.438 ' CB ' HD12 ' A' ' 73' ' ' ILE . 81.3 m-85 -113.7 148.52 36.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.73 0.3 . . . . 0.0 110.916 -178.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.487 ' HG3' ' HB2' ' A' ' 76' ' ' ALA . 50.6 mt-10 -108.89 150.09 28.19 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.88 174.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.534 ' HA ' HG22 ' A' ' 73' ' ' ILE . 11.7 p -73.91 119.21 17.82 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.999 -177.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.557 HE21 ' HB2' ' A' ' 74' ' ' SER . 3.0 tp-100 -105.94 -63.17 1.28 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.295 0.569 . . . . 0.0 110.014 -178.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.545 ' HB3' ' HB3' ' A' ' 72' ' ' GLU . 19.3 t60 -116.68 99.33 7.06 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.539 -0.755 . . . . 0.0 108.975 177.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.1 mt -96.72 124.82 49.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.037 -178.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -69.39 143.95 53.52 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.4 mp -60.01 -39.47 85.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.064 0.459 . . . . 0.0 110.582 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -69.24 -34.57 75.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.995 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 48.3 t -60.7 -46.74 89.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.151 176.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 64.4 mt -60.54 -44.81 97.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.363 178.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 100' ' ' ARG . 42.8 t -57.07 -57.78 11.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.342 -178.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -64.74 -33.67 76.51 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -175.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.97 -59.21 5.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.903 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 99' ' ' ARG . 24.5 ttt180 -68.98 -36.71 78.17 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.789 -179.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 96' ' ' SER . 0.0 OUTLIER -58.08 -42.81 86.38 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -178.547 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 57.3 tp -68.35 -52.21 35.82 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 121.056 -0.258 . . . . 0.0 110.895 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.641 HG21 HD21 ' A' ' 112' ' ' LEU . 61.0 t -64.7 -36.23 76.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 120.908 0.385 . . . . 0.0 111.723 -176.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -69.4 -52.2 29.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.169 -176.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.1 mp -70.38 -27.38 64.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.747 0.308 . . . . 0.0 111.139 -178.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -76.59 -13.62 60.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.205 0.526 . . . . 0.0 109.596 176.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.427 ' HA ' HD22 ' A' ' 106' ' ' LEU . 0.2 OUTLIER 64.22 43.86 4.68 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.781 -179.819 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -89.11 -2.76 77.13 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 174.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.6 t70 72.55 144.69 0.07 Allowed 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.807 0.843 . . . . 0.0 110.899 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -77.9 -8.06 57.58 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.221 -0.3 . . . . 0.0 110.719 -177.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -54.75 -39.74 68.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.199 0.523 . . . . 0.0 110.13 176.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 89.9 mt -70.78 -23.28 62.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.293 -178.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.641 HD21 HG21 ' A' ' 102' ' ' VAL . 94.8 mt -81.33 -21.71 39.01 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 122.143 -0.348 . . . . 0.0 110.371 178.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -110.48 23.66 13.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.715 -172.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 70.2 mtm180 -77.18 -169.17 1.28 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 173.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.458 ' O ' HD13 ' A' ' 119' ' ' LEU . 7.1 mm-40 -109.92 149.36 30.02 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 175.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 61.7 tp -54.25 -34.74 61.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.77 0.319 . . . . 0.0 110.781 175.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.4 -13.73 62.5 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.737 176.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 79.3 mt -96.33 -10.68 27.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.953 0.406 . . . . 0.0 110.533 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 115' ' ' GLU . 9.8 mp -94.01 105.05 17.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.49 0.662 . . . . 0.0 110.277 -178.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.917 HG12 ' H ' ' A' ' 121' ' ' SER . 3.5 t -118.01 -164.17 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 114.743 -1.117 . . . . 0.0 108.957 -176.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.917 ' H ' HG12 ' A' ' 120' ' ' VAL . 72.7 m -90.53 172.22 8.86 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 122.449 0.299 . . . . 0.0 111.226 -177.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.201 0 O-C-N 123.727 0.642 . . . . 0.0 110.594 175.802 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.9 mm . . . . . 0 N--CA 1.45 -0.456 0 CA-C-O 121.985 0.898 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' A' ' 34' ' ' HIS . . . -171.03 126.54 0.69 Allowed 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 113.744 -1.571 . . . . 0.0 108.46 176.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.469 ' HD2' HD11 ' A' ' 63' ' ' LEU . 1.7 m-85 -94.11 9.35 38.14 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -174.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.8 t70 54.11 81.35 0.1 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.078 -177.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.513 ' HB1' ' O ' ' A' ' 62' ' ' TYR . . . -135.17 174.78 10.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.996 -172.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.544 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 8.9 m-20 -81.32 108.95 15.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.643 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.444 ' HB3' HD23 ' A' ' 61' ' ' LEU . 4.0 p -118.44 120.4 37.44 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.076 -177.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -115.68 136.53 52.97 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.066 178.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.528 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 84.9 mt -103.33 118.89 51.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 173.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.632 HD22 ' HG2' ' A' ' 28' ' ' ARG . 24.4 mt -99.05 113.61 25.89 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.476 -177.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.451 HE21 ' HB2' ' A' ' 55' ' ' ARG . 61.4 tt0 -93.07 79.94 4.55 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 173.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.91 -72.02 1.1 Allowed Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.045 -176.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -132.49 -20.11 2.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.822 0.344 . . . . 0.0 111.151 -177.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -91.13 129.64 37.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.153 0.501 . . . . 0.0 110.017 -176.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.632 ' HG2' HD22 ' A' ' 23' ' ' LEU . 24.7 mtt85 -109.4 121.76 45.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.223 -169.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 7.6 m-90 -108.4 123.34 48.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.761 176.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -80.37 103.2 10.07 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 174.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.809 HG23 ' HB2' ' A' ' 45' ' ' GLN . 7.1 p -105.69 161.04 5.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.194 -174.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.415 ' N ' HD12 ' A' ' 32' ' ' LEU . 6.2 mp -97.41 115.45 27.76 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 64.5 tp -60.29 138.54 57.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.028 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.668 ' HB2' ' HA ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -127.67 -79.15 0.58 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.083 -170.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.412 ' CG ' ' HA ' ' A' ' 121' ' ' SER . 5.7 m-20 -143.86 110.94 5.74 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -173.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.411 HG23 ' HB ' ' A' ' 41' ' ' ILE . 9.6 p -120.87 147.51 24.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.045 0.45 . . . . 0.0 112.077 -172.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.1 p -131.43 -179.32 5.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.645 176.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 61.2 mt -81.71 -1.35 46.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.287 0.565 . . . . 0.0 110.182 177.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.59 ' ND1' ' HA ' ' A' ' 115' ' ' GLU . 2.4 m170 -107.82 -16.03 14.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.684 0.754 . . . . 0.0 109.911 -173.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.483 ' HA2' ' SG ' ' A' ' 87' ' ' CYS . . . 165.93 165.55 23.47 Favored Glycine 0 N--CA 1.443 -0.866 0 CA-C-N 114.614 -1.175 . . . . 0.0 111.523 -171.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.411 ' HB ' HG23 ' A' ' 36' ' ' VAL . 11.1 tt -125.87 128.2 71.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.055 0.455 . . . . 0.0 111.039 -175.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.692 HD11 ' HB3' ' A' ' 82' ' ' LEU . 65.6 tp -104.13 121.17 42.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.391 175.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.668 ' HA ' ' HB2' ' A' ' 34' ' ' HIS . 15.7 m -124.76 170.57 14.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.584 178.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -128.57 124.81 4.79 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 111.126 -0.789 . . . . 0.0 111.126 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.809 ' HB2' HG23 ' A' ' 31' ' ' VAL . 27.4 tt0 -138.82 98.69 8.58 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 116.95 0.375 . . . . 0.0 111.052 -178.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -80.6 47.35 2.53 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.904 2.403 . . . . 0.0 111.477 175.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -129.42 171.62 12.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.76 -177.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.19 122.72 22.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.161 0.505 . . . . 0.0 110.113 177.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -127.66 146.86 50.41 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.212 -171.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.043 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 . . . . . 0 CA--C 1.518 -0.28 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.482 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 15.5 mmt180 -110.47 107.11 58.3 Favored Pre-proline 0 N--CA 1.448 -0.558 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.038 178.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 55' ' ' ARG . 17.3 Cg_endo -58.84 134.86 63.08 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.701 2.268 . . . . 0.0 111.54 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -104.57 135.96 45.02 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.147 0.499 . . . . 0.0 110.739 -175.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.538 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 59.9 mm-40 -107.24 127.57 53.65 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.202 178.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.89 107.95 20.55 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 175.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -107.48 105.27 15.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.832 -178.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.712 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 61.8 mt -104.4 115.09 29.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.413 -175.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.544 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 87.5 m-85 -93.24 110.56 22.08 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.613 176.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.469 HD11 ' HD2' ' A' ' 16' ' ' PHE . 4.4 mm? -100.26 -19.97 16.12 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.352 0.596 . . . . 0.0 109.793 174.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -158.59 -158.62 9.14 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.963 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -81.21 -39.34 25.56 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -108.78 -21.81 12.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.373 . . . . 0.0 110.392 177.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.4 t -75.47 95.0 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.37 -177.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 61' ' ' LEU . 42.1 tp -117.61 130.45 56.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.218 -178.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.712 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 59.7 mt -110.12 114.01 45.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -120.71 139.79 52.56 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.918 0.39 . . . . 0.0 110.626 -176.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.3 ptp -147.67 136.14 21.67 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.157 177.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.496 ' HB3' ' HB3' ' A' ' 89' ' ' HIS . 30.4 tt0 -80.74 112.74 18.4 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 175.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.611 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 17.5 pt -121.45 145.67 27.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.341 0.591 . . . . 0.0 111.617 -175.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.6 t -112.3 136.98 51.08 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.521 -0.763 . . . . 0.0 108.979 176.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 37.1 tp -71.36 111.9 7.06 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.97 0.414 . . . . 0.0 110.927 -176.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -92.06 -46.57 7.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.058 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 -157.75 148.15 20.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.888 0.375 . . . . 0.0 111.084 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -142.81 121.65 12.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.558 175.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -145.64 139.9 26.95 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.048 -176.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.6 t70 66.91 -89.6 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.827 0.705 . . . . 0.0 110.927 178.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -143.28 7.23 2.04 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 175.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.692 ' HB3' HD11 ' A' ' 42' ' ' LEU . 96.8 mt -111.4 132.47 54.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.49 -0.355 . . . . 0.0 110.315 -176.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.9 mp -120.35 124.03 44.55 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.341 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.87 111.27 3.48 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 121.105 -0.569 . . . . 0.0 111.798 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.611 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 77.8 m-85 -102.31 146.48 27.97 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -96.7 133.21 41.52 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.483 ' SG ' ' HA2' ' A' ' 40' ' ' GLY . 83.0 m -86.62 113.34 22.42 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.327 -176.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -92.91 -61.09 1.65 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.721 0.296 . . . . 0.0 110.848 176.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.496 ' HB3' ' HB3' ' A' ' 72' ' ' GLU . 22.1 t60 -116.62 100.78 8.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.88 0.372 . . . . 0.0 110.575 -176.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 21.3 mt -101.66 128.09 54.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 175.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.475 ' O ' HG13 ' A' ' 95' ' ' ILE . 9.1 t70 -67.79 137.69 55.58 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -178.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.82 -30.65 70.97 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.118 0.261 . . . . 0.0 111.35 -177.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -67.16 -43.02 83.32 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 175.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.56 ' HB3' HG23 ' A' ' 69' ' ' ILE . 51.5 m -67.34 -38.84 85.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.934 178.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 91' ' ' ASP . 78.5 mt -58.66 -45.6 90.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 121.026 0.441 . . . . 0.0 110.021 174.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.9 m -62.24 -40.65 96.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.742 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -60.42 -51.17 70.62 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.839 0.352 . . . . 0.0 110.189 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -57.65 -58.96 6.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.718 -177.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -60.52 -49.02 79.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.76 -175.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.403 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 96.8 mtt180 -67.6 -40.54 84.73 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -175.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 44.8 tp -62.82 -42.94 99.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.884 0.373 . . . . 0.0 110.839 -177.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 54.5 t -71.37 -39.88 72.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.607 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -67.7 -39.69 84.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.143 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 77.5 mt -60.15 -33.6 72.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.85 0.357 . . . . 0.0 111.14 177.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -87.07 -30.08 21.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.07 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.13 32.74 19.61 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.421 0.629 . . . . 0.0 109.832 -177.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -81.57 52.68 4.59 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.631 -177.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 58.76 80.98 0.17 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.552 0.691 . . . . 0.0 111.499 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.25 2.68 42.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.801 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -67.68 -19.24 65.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.523 0.678 . . . . 0.0 110.314 177.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.464 HD22 HH21 ' A' ' 114' ' ' ARG . 61.2 mt -71.41 -35.43 71.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.606 -0.724 . . . . 0.0 112.044 -175.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.0 pp -87.1 5.17 39.04 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -170.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -115.16 21.4 14.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.163 0.506 . . . . 0.0 111.274 -177.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.489 ' HB2' HD12 ' A' ' 119' ' ' LEU . 34.6 mtt180 -79.96 -91.37 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 174.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.59 ' HA ' ' ND1' ' A' ' 39' ' ' HIS . 9.0 tp10 -179.84 161.05 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 178.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 61.6 tp -54.6 -50.58 67.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 118.132 0.424 . . . . 0.0 110.572 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.22 -4.0 36.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.992 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.2 mt -104.06 -7.83 19.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.677 0.275 . . . . 0.0 110.996 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.489 HD12 ' HB2' ' A' ' 114' ' ' ARG . 3.9 mp -92.63 116.59 29.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.219 0.533 . . . . 0.0 110.674 179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.3 p -107.8 136.14 44.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 115.414 -0.812 . . . . 0.0 108.864 176.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.412 ' HA ' ' CG ' ' A' ' 35' ' ' ASP . 56.7 p -65.21 171.67 3.6 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.252 -173.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.301 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.083 172.331 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.553 HG22 ' H ' ' A' ' 15' ' ' ALA . 26.5 mm . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.59 ' HA ' HD23 ' A' ' 33' ' ' LEU . . . 81.07 -43.04 0.18 Allowed 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.027 0.931 . . . . 0.0 110.488 -177.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 61.05 13.74 4.86 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.286 173.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 57.37 27.87 14.47 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.229 0.537 . . . . 0.0 110.56 -174.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.42 175.4 8.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.163 178.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.555 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 69.7 m-20 -95.76 127.53 41.87 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.232 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.2 p -127.88 133.32 49.31 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.246 -177.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -122.42 150.9 41.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.33 176.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.481 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 66.6 mt -114.18 129.7 69.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 172.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.528 HD11 ' HD2' ' A' ' 60' ' ' ARG . 63.8 mt -113.28 152.93 29.24 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.366 -174.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -147.03 92.33 2.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.297 -0.865 . . . . 0.0 108.883 171.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.15 -93.94 0.44 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.283 -174.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.58 2.29 10.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.845 0.355 . . . . 0.0 110.606 174.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -75.58 140.06 42.44 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 172.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.2 ptt-85 -146.18 119.22 8.79 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.025 0.44 . . . . 0.0 111.504 -177.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.497 ' HH2' ' HB2' ' A' ' 50' ' ' ASN . 29.9 m-90 -114.97 115.34 26.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.942 178.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -73.9 104.73 4.88 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 171.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.67 HG21 ' HG2' ' A' ' 45' ' ' GLN . 8.2 p -115.37 168.65 6.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.539 -167.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.478 ' H ' HG22 ' A' ' 31' ' ' VAL . 45.1 tp -90.32 111.53 22.78 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.21 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.59 HD23 ' HA ' ' A' ' 15' ' ' ALA . 45.3 tp -74.5 148.01 41.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.987 175.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -124.1 -80.53 0.62 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.808 0.337 . . . . 0.0 111.212 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.523 ' OD2' ' HA ' ' A' ' 121' ' ' SER . 5.4 m-20 -134.09 165.4 25.15 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -173.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.512 HG12 ' CG2' ' A' ' 14' ' ' ILE . 7.6 p -160.35 153.71 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.188 0.518 . . . . 0.0 111.577 -176.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.525 ' HA ' ' HA ' ' A' ' 112' ' ' LEU . 70.1 p -138.7 -178.9 5.52 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 172.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 69.5 mt -83.64 3.94 30.67 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.426 0.632 . . . . 0.0 109.621 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.559 ' ND1' ' HA ' ' A' ' 115' ' ' GLU . 1.6 m170 -117.21 -10.29 10.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.054 -174.145 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 168.11 156.16 9.99 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.405 -174.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.454 ' CG2' ' HB2' ' A' ' 85' ' ' PHE . 11.8 tt -122.19 145.26 29.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.592 0.234 . . . . 0.0 110.389 -178.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.8 HD11 ' HB3' ' A' ' 82' ' ' LEU . 47.2 tp -121.64 117.16 26.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.396 -177.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.7 m -120.19 171.09 9.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.738 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -121.94 113.56 2.29 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.221 177.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.67 ' HG2' HG21 ' A' ' 31' ' ' VAL . 21.5 mt-30 -113.3 145.88 34.15 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-O 120.441 0.162 . . . . 0.0 110.652 -176.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -62.56 -59.28 0.26 Allowed 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 122.622 2.215 . . . . 0.0 112.429 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 179.12 -41.38 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.239 -179.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -58.72 130.58 47.58 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.907 0.384 . . . . 0.0 111.344 -176.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.459 ' HE3' ' H ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -141.35 -179.6 6.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.986 -179.217 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.497 ' HB2' ' HH2' ' A' ' 29' ' ' TRP . 8.5 t30 . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.332 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 N--CA 1.467 0.417 0 CA-C-O 121.562 0.696 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -94.99 141.42 23.23 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.22 178.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -70.73 104.53 1.49 Allowed 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.762 2.308 . . . . 0.0 112.519 -178.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -95.82 150.57 20.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.645 179.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.481 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 27.2 mt-10 -115.54 136.17 53.35 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 120.867 0.365 . . . . 0.0 111.647 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.423 ' HB3' ' CG ' ' A' ' 71' ' ' MET . . . -99.5 112.55 24.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.47 173.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.528 ' HD2' HD11 ' A' ' 23' ' ' LEU . 18.2 ttt180 -106.47 105.33 15.32 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.4 -176.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.663 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 67.9 mt -103.53 119.83 39.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.996 0.427 . . . . 0.0 110.977 -175.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.555 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 84.2 m-85 -94.03 104.84 16.87 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.026 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.8 tp -98.09 -14.76 20.29 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 173.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -165.0 -167.57 25.8 Favored Glycine 0 N--CA 1.44 -1.053 0 CA-C-N 113.753 -1.567 . . . . 0.0 109.196 174.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 65.4 mt -86.24 -29.31 23.23 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 117.697 0.749 . . . . 0.0 110.462 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -113.39 -9.04 13.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.343 175.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.9 t -93.25 88.11 2.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.441 HD11 ' CG ' ' A' ' 60' ' ' ARG . 50.7 tp -112.53 120.21 40.83 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.966 -175.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.663 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 25.6 mt -98.89 106.67 19.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 174.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.64 147.65 42.69 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.79 -178.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.423 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 19.2 ptm -149.11 134.55 18.5 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.435 -179.132 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -90.6 118.13 29.8 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.532 HG22 ' HA ' ' A' ' 87' ' ' CYS . 8.7 pt -128.41 156.95 40.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.232 0.539 . . . . 0.0 111.947 -170.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.4 p -119.46 115.85 24.91 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.481 178.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 55.6 tp -58.18 120.3 8.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.09 0.471 . . . . 0.0 111.039 -177.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -97.79 -57.21 2.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.011 -177.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 -140.96 149.78 42.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.014 0.435 . . . . 0.0 111.319 -176.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -134.15 114.71 13.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.708 176.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -127.35 120.88 29.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.759 0.314 . . . . 0.0 111.261 -176.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.5 t70 65.96 -87.01 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.092 177.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -138.08 2.65 2.97 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.778 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.8 ' HB3' HD11 ' A' ' 42' ' ' LEU . 93.8 mt -109.45 127.24 54.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.878 0.371 . . . . 0.0 110.137 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.7 mp -117.23 129.09 55.7 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.706 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -104.76 121.51 6.97 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.121 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.519 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 34.6 m-85 -107.14 139.26 41.85 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.963 0.411 . . . . 0.0 110.38 -179.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -83.53 132.8 34.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.596 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.816 ' HB3' HD11 ' A' ' 90' ' ' ILE . 75.7 m -82.97 111.11 18.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.327 -176.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -90.96 -66.2 0.95 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.241 178.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -126.89 115.38 19.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.545 -175.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.816 HD11 ' HB3' ' A' ' 87' ' ' CYS . 3.6 mp -117.59 122.78 70.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 171.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.462 ' O ' HG13 ' A' ' 95' ' ' ILE . 10.9 m-20 -69.35 156.75 38.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.754 0.311 . . . . 0.0 111.436 -173.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 71.5 mt -56.51 -54.03 50.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.234 -171.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -69.6 -29.45 66.97 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 -179.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.9 t -64.78 -44.63 89.37 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 91' ' ' ASP . 75.5 mt -57.84 -48.68 83.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.317 176.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.7 t -63.66 -38.12 89.93 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.711 -178.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -57.49 -53.99 51.95 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.917 0.389 . . . . 0.0 110.639 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.427 ' O ' HG23 ' A' ' 102' ' ' VAL . 2.1 tm? -63.5 -46.95 83.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.08 -178.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 99' ' ' ARG . 10.9 ttp180 -57.12 -51.81 67.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.411 -179.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.46 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 18.0 tpp85 -64.01 -34.17 77.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.786 -177.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 49.7 tp -65.49 -39.24 91.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.346 177.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.522 HG21 HD11 ' A' ' 112' ' ' LEU . 80.8 t -64.92 -36.62 78.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.643 177.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -63.98 -42.43 97.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.854 178.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 91.8 mt -68.49 -41.41 80.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.508 -177.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -93.66 -2.74 53.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.875 -175.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.7 mp 56.08 50.42 13.72 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.145 0.498 . . . . 0.0 110.15 -175.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -71.34 5.05 10.55 Favored Glycine 0 CA--C 1.522 0.472 0 CA-C-N 115.391 -0.822 . . . . 0.0 113.89 -176.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 71.32 108.23 0.06 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.534 0.683 . . . . 0.0 112.45 176.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -61.42 -21.96 64.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.85 175.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.605 ' O ' ' HG3' ' A' ' 114' ' ' ARG . 52.7 mt-10 -53.58 -44.58 69.46 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.779 177.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 46.5 mt -66.96 -41.83 86.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.724 -178.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.525 ' HA ' ' HA ' ' A' ' 37' ' ' SER . 93.0 mt -68.55 -27.42 66.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.866 -0.607 . . . . 0.0 112.186 -173.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -114.51 22.96 13.17 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.878 0.695 . . . . 0.0 112.878 -170.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.605 ' HG3' ' O ' ' A' ' 110' ' ' GLU . 58.3 mtm180 -84.6 -94.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 119.951 -0.699 . . . . 0.0 109.517 171.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.559 ' HA ' ' ND1' ' A' ' 39' ' ' HIS . 0.8 OUTLIER -178.47 165.99 1.78 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 174.458 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.45 ' H ' ' CD ' ' A' ' 115' ' ' GLU . 52.7 tp -64.63 -41.72 95.97 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 175.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.91 -10.59 59.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 177.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.51 HD12 ' HB2' ' A' ' 115' ' ' GLU . 95.3 mt -106.38 3.47 27.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.422 178.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 119' ' ' LEU . 4.7 tp -95.32 120.37 35.44 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.305 0.574 . . . . 0.0 111.47 -171.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 39.0 t -107.46 149.81 10.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 176.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.523 ' HA ' ' OD2' ' A' ' 35' ' ' ASP . 8.3 t -74.9 168.88 19.06 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.18 -178.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.184 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.875 177.279 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.541 HG12 HD13 ' A' ' 111' ' ' LEU . 7.3 pt . . . . . 0 N--CA 1.449 -0.525 0 CA-C-O 121.572 0.701 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.68 86.77 2.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.226 175.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -88.74 154.34 20.36 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.914 -176.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -78.49 93.04 4.71 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.69 0.757 . . . . 0.0 110.912 -178.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.46 167.87 20.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.81 177.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -101.01 133.26 45.77 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 177.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.5 t -131.04 121.48 25.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.027 0.441 . . . . 0.0 111.698 -174.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -111.8 137.75 49.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.322 174.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.0 mt -110.61 122.02 64.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 170.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 mt -114.18 175.93 5.26 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.71 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.56 40.36 0.51 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.625 0.726 . . . . 0.0 110.144 171.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.99 -42.41 3.15 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.386 -0.824 . . . . 0.0 113.282 -178.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -118.25 -48.35 2.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 117.614 0.707 . . . . 0.0 111.035 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 64.8 mtt-85 -82.84 149.9 26.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.767 179.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.425 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 6.9 ptp180 -140.98 131.71 25.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.215 171.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 48.8 p90 -143.05 133.99 25.52 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.988 0.423 . . . . 0.0 111.119 175.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -86.0 130.59 34.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.789 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.3 p -133.78 155.08 39.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -173.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.413 ' N ' HD12 ' A' ' 32' ' ' LEU . 5.5 mp -91.23 142.18 28.0 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.974 0.416 . . . . 0.0 111.151 -177.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 64.0 tp -75.2 145.98 41.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.265 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -129.98 -48.69 1.12 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.641 0.258 . . . . 0.0 110.561 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -158.43 165.46 34.6 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 108.401 -0.962 . . . . 0.0 108.401 175.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.1 p -162.96 139.07 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.3 0.572 . . . . 0.0 111.734 -175.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.7 p -119.89 -172.89 2.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.959 177.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.404 ' HB2' ' HB3' ' A' ' 112' ' ' LEU . 3.9 tt -85.62 1.36 49.5 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.763 0.792 . . . . 0.0 109.05 173.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.689 ' CE1' ' HA ' ' A' ' 115' ' ' GLU . 2.1 m170 -101.34 -47.36 4.72 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 -175.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 85' ' ' PHE . . . -165.76 -168.67 28.28 Favored Glycine 0 N--CA 1.44 -1.09 0 CA-C-N 114.746 -1.116 . . . . 0.0 111.472 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.1 tt -127.79 146.19 33.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.601 0.2 . . . . 0.0 110.833 -175.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 50.3 tp -116.26 121.34 41.73 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.814 0.34 . . . . 0.0 110.282 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.9 m -129.43 170.09 19.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.243 -177.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -114.59 111.31 2.52 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 176.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.485 ' HB3' HD13 ' A' ' 83' ' ' LEU . 8.4 tt0 -123.88 113.59 28.41 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-O 120.734 0.302 . . . . 0.0 111.254 -171.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -88.2 29.89 0.45 Allowed 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 123.079 2.519 . . . . 0.0 112.271 177.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.789 ' HG2' ' H ' ' A' ' 48' ' ' ASP . 5.3 tt0 -109.78 -164.22 0.92 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.771 -176.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.789 ' H ' ' HG2' ' A' ' 47' ' ' GLN . 13.5 t70 -135.04 179.7 6.15 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -113.7 173.21 6.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.199 0.524 . . . . 0.0 111.938 -174.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.181 -179.902 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 121.963 0.887 . . . . 0.0 108.799 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.459 ' HD3' ' HA ' ' A' ' 55' ' ' ARG . 24.8 mmt85 -105.2 123.22 40.4 Favored Pre-proline 0 N--CA 1.442 -0.84 0 CA-C-N 114.566 -1.197 . . . . 0.0 109.601 176.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -45.97 128.14 11.15 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 124.05 3.167 . . . . 0.0 114.199 -174.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -106.21 136.64 45.57 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 173.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -120.09 112.51 19.21 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.972 -0.455 . . . . 0.0 111.516 -174.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.32 121.14 38.87 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.771 0.319 . . . . 0.0 110.621 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -111.59 119.95 40.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.152 177.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.763 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 96.1 mt -99.81 111.58 23.9 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.666 177.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.414 ' CE1' HD11 ' A' ' 68' ' ' LEU . 72.9 m-85 -88.52 102.81 15.29 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.712 -178.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.41 -7.76 30.98 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 174.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.91 -176.89 48.2 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.808 178.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.2 mt -78.85 -20.07 50.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.175 0.512 . . . . 0.0 110.223 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.7 -37.84 8.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.717 177.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.9 t -84.8 91.78 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.994 -176.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.414 HD11 ' CE1' ' A' ' 62' ' ' TYR . 3.6 mm? -104.65 107.79 18.91 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.197 176.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.763 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 57.0 mt -93.98 92.62 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 177.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.539 ' HD3' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -102.34 127.25 49.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.18 0.514 . . . . 0.0 110.699 -178.331 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.0 ptm -125.64 125.41 43.07 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.109 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -83.97 119.3 24.74 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.695 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.662 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 10.8 pt -130.27 161.09 40.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.398 0.618 . . . . 0.0 111.971 -170.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.3 p -130.94 137.86 49.48 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 171.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.453 HD11 ' HB3' ' A' ' 83' ' ' LEU . 7.4 tp -67.75 110.92 3.98 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.062 0.458 . . . . 0.0 110.799 -176.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -113.99 -8.28 13.08 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.597 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.583 ' HB2' HD21 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -132.57 149.0 52.38 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-O 121.616 0.722 . . . . 0.0 110.16 -177.104 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -162.27 116.18 1.81 Allowed 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 114.17 -1.377 . . . . 0.0 110.002 -179.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.548 ' HB2' ' CZ3' ' A' ' 77' ' ' TRP . 1.7 tpm_? -135.85 74.16 1.49 Allowed 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.813 -177.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.6 t70 66.41 -83.28 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.004 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -116.99 -9.62 10.58 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.009 -0.615 . . . . 0.0 111.792 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.527 HD13 ' HB2' ' A' ' 121' ' ' SER . 44.8 mt -105.1 113.17 26.6 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.485 HD13 ' HB3' ' A' ' 45' ' ' GLN . 4.9 mp -121.19 144.74 48.43 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.996 -174.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.467 ' H ' ' HB3' ' A' ' 77' ' ' TRP . . . -121.54 142.29 15.18 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.89 -177.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.662 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 61.8 m-85 -118.31 129.35 55.4 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 -178.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -82.53 129.21 34.88 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 175.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.808 ' SG ' HG12 ' A' ' 90' ' ' ILE . 18.1 t -84.4 124.11 30.95 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.244 0.545 . . . . 0.0 110.987 -173.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -88.32 -49.04 7.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.009 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -129.19 115.4 17.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.75 -177.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.808 HG12 ' SG ' ' A' ' 87' ' ' CYS . 0.6 OUTLIER -113.63 115.89 51.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 173.887 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.483 ' HB2' ' OG ' ' A' ' 94' ' ' SER . 22.2 m-20 -69.08 148.28 50.25 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.076 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.43 -38.98 91.83 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.042 -174.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -65.36 -38.9 91.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.089 178.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.483 ' OG ' ' HB2' ' A' ' 91' ' ' ASP . 2.3 m -58.41 -49.9 75.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.26 176.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 62.2 mt -61.33 -39.06 81.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.805 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.42 ' O ' ' HG3' ' A' ' 100' ' ' ARG . 26.4 m -64.14 -40.77 96.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.849 -179.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -60.34 -43.97 95.95 Favored 'General case' 0 CA--C 1.521 -0.157 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 176.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.11 -53.77 53.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 178.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -58.43 -45.01 89.34 Favored 'General case' 0 C--O 1.223 -0.294 0 C-N-CA 121.024 -0.27 . . . . 0.0 111.417 -178.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' A' ' 96' ' ' SER . 44.3 mtp180 -64.39 -42.8 95.93 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.072 -178.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 43.1 tp -62.54 -42.81 99.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.907 0.384 . . . . 0.0 110.609 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.22 -38.44 77.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.006 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -68.92 -44.38 73.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.18 -178.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.7 mp -63.14 -38.23 90.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.904 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -81.79 -19.09 41.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.581 176.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 19.4 tp 59.86 35.92 21.9 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.845 -177.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -100.29 64.52 0.6 Allowed Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.471 -0.786 . . . . 0.0 113.244 -174.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 64.28 97.06 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 173.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -68.36 -32.45 72.55 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.81 0.814 . . . . 0.0 109.145 172.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -68.53 -8.16 38.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.385 -1.28 . . . . 0.0 111.678 -175.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.659 ' HG ' ' NH2' ' A' ' 114' ' ' ARG . 6.4 tt -64.45 -41.0 96.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.107 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.404 ' HB3' ' HB2' ' A' ' 38' ' ' LEU . 93.4 mt -67.66 -21.13 65.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.508 -177.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -76.3 -24.03 54.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.316 -177.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.659 ' NH2' ' HG ' ' A' ' 111' ' ' LEU . 22.1 mtm180 -68.09 146.66 53.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.916 0.388 . . . . 0.0 110.008 -179.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.689 ' HA ' ' CE1' ' A' ' 39' ' ' HIS . 0.3 OUTLIER -83.56 159.42 21.65 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.779 -172.513 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.583 HD21 ' HB2' ' A' ' 77' ' ' TRP . 23.8 tp -59.67 -37.69 79.47 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 175.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.82 -22.58 65.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.109 176.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.412 HD12 ' H ' ' A' ' 115' ' ' GLU . 58.7 mt -88.37 -9.12 53.75 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.857 0.36 . . . . 0.0 110.62 178.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.469 HD13 ' O ' ' A' ' 115' ' ' GLU . 4.3 mp -101.87 107.33 18.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.614 -174.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 121' ' ' SER . 3.2 p -91.2 167.4 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 169.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.527 ' HB2' HD13 ' A' ' 82' ' ' LEU . 32.7 t -64.19 157.94 24.39 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 178.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.241 0.543 . . . . 0.0 110.339 176.929 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.477 ' O ' ' HA ' ' A' ' 35' ' ' ASP . 47.7 mm . . . . . 0 N--CA 1.459 -0.019 0 CA-C-O 121.336 0.589 . . . . 0.0 111.399 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -154.48 114.25 3.79 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.828 175.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -105.32 176.08 5.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.075 -177.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -96.44 28.6 3.24 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 175.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.85 133.95 38.06 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.598 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.445 ' HB3' ' HB2' ' A' ' 62' ' ' TYR . 22.6 t70 -71.28 126.82 30.63 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 176.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 m -122.59 120.2 33.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.999 0.428 . . . . 0.0 111.58 -173.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -117.64 119.33 34.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.517 174.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.594 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 1.7 mp -103.42 120.05 52.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 171.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.48 HD23 ' CB ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -138.66 169.4 17.85 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.068 0.461 . . . . 0.0 112.071 -169.785 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -129.45 43.78 3.08 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.392 -0.822 . . . . 0.0 108.826 171.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.51 -100.08 2.42 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.75 -175.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -81.1 17.93 1.16 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.226 0.536 . . . . 0.0 112.105 -173.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.1 tpm_? -143.91 101.32 3.72 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.331 176.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.48 ' CB ' HD23 ' A' ' 23' ' ' LEU . 15.4 ptp180 -93.24 136.46 33.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.408 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.433 ' HB2' ' O ' ' A' ' 22' ' ' ILE . 9.5 m-90 -116.67 94.65 4.69 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.476 170.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -67.46 104.84 1.64 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 175.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.579 HG11 HD13 ' A' ' 22' ' ' ILE . 9.9 p -118.5 166.06 13.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.294 -167.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.6 mt -96.43 127.01 42.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.2 tp -66.75 139.05 57.79 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -130.73 -28.97 1.97 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -176.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.477 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 4.5 t70 -178.76 170.09 1.59 Allowed 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 169.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.6 p -164.69 148.14 2.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.19 0.519 . . . . 0.0 111.336 -175.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.4 p -139.16 -173.01 3.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.862 177.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.0 tp -90.07 9.46 28.05 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.63 0.729 . . . . 0.0 109.504 176.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.582 ' ND1' ' HA ' ' A' ' 115' ' ' GLU . 6.5 m170 -113.56 -5.29 13.43 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.829 0.824 . . . . 0.0 109.211 -178.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 148.64 -172.2 28.86 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 114.35 -1.295 . . . . 0.0 112.052 -175.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.9 tt -134.48 151.92 32.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -173.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.916 ' HG ' HD12 ' A' ' 82' ' ' LEU . 32.6 tp -130.03 106.6 8.74 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.096 0.474 . . . . 0.0 110.05 -178.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.6 m -113.14 169.02 5.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.973 -178.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 81' ' ' GLY . . . -117.53 111.61 2.27 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.708 -177.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.684 ' HB2' HD11 ' A' ' 83' ' ' LEU . 45.1 tp60 -87.91 133.79 36.71 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -178.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 45' ' ' GLN . 43.5 Cg_exo -57.11 -71.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.454 2.103 . . . . 0.0 112.242 177.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -151.26 -53.15 0.13 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.743 0.306 . . . . 0.0 110.728 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -63.9 115.22 4.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.057 -177.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.561 ' HB2' ' HG2' ' A' ' 45' ' ' GLN . 71.9 t-105 -159.52 149.33 18.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.682 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.423 ' OD1' ' HD3' ' A' ' 55' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.868 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.83 0.348 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.423 ' HD3' ' OD1' ' A' ' 50' ' ' ASN . 20.6 mtp180 -95.0 126.71 45.71 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.299 -179.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.42 150.6 46.7 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.65 2.233 . . . . 0.0 112.038 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.46 ' HB3' HG23 ' A' ' 22' ' ' ILE . 64.3 m-85 -135.83 147.97 48.5 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.22 -177.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.594 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 36.1 mt-10 -113.03 133.69 54.86 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -112.17 119.41 38.29 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.825 0.345 . . . . 0.0 110.911 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.537 ' HB3' HD11 ' A' ' 68' ' ' LEU . 17.0 mtm180 -114.54 112.89 23.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.222 174.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.689 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 65.3 mt -100.82 115.27 29.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.123 179.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.445 ' HB2' ' HB3' ' A' ' 19' ' ' ASP . 64.0 m-85 -90.54 114.15 26.3 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.074 -177.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -113.12 1.6 15.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.323 0.582 . . . . 0.0 109.733 175.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.98 -165.94 36.32 Favored Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.4 mt -83.38 -39.65 20.4 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 117.179 0.489 . . . . 0.0 110.187 178.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -96.92 -29.21 13.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.182 176.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.2 t -80.39 90.24 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.616 -176.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' ' 60' ' ' ARG . 65.7 tp -117.86 111.77 19.48 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.037 178.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.689 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 56.8 mt -86.98 99.38 8.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.9 ptt180 -98.18 142.48 29.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.089 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.8 ptm -149.02 130.98 15.24 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.626 174.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.475 ' HB2' ' HB3' ' A' ' 89' ' ' HIS . 36.5 mt-10 -91.5 124.71 35.88 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -179.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.69 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 9.2 pt -133.73 160.26 42.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.332 0.587 . . . . 0.0 111.904 -169.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 65.7 m -124.97 137.77 54.25 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.832 171.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.8 tp -64.59 126.04 26.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.298 -178.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.527 ' HB2' ' HG3' ' A' ' 86' ' ' GLU . . . -103.38 -48.28 4.04 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.946 0.403 . . . . 0.0 110.724 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 42.8 p-90 -151.89 147.34 26.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.514 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -137.78 117.17 12.8 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.245 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -131.59 122.67 26.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.732 -178.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 62.53 -88.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.068 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.41 ' O ' ' HA2' ' A' ' 44' ' ' GLY . . . -128.85 -15.11 2.18 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.324 179.136 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.916 HD12 ' HG ' ' A' ' 42' ' ' LEU . 3.9 mm? -87.3 122.3 30.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.304 0.573 . . . . 0.0 111.163 -176.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.684 HD11 ' HB2' ' A' ' 45' ' ' GLN . 38.7 mt -106.57 116.03 31.23 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.183 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -97.21 118.68 6.14 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.842 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.69 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 91.4 m-85 -114.01 136.56 52.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.399 0.142 . . . . 0.0 110.919 -178.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.527 ' HG3' ' HB2' ' A' ' 76' ' ' ALA . 51.6 mt-10 -85.57 135.01 33.99 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 173.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.549 ' HA ' HG22 ' A' ' 73' ' ' ILE . 26.3 p -81.05 128.65 33.95 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.485 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -105.24 -46.9 4.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.951 0.405 . . . . 0.0 110.685 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 72' ' ' GLU . 53.2 t60 -125.85 114.51 18.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.31 177.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.6 mp -121.87 106.36 17.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 176.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.404 ' O ' HG13 ' A' ' 95' ' ' ILE . 5.3 m-20 -59.69 144.16 48.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.558 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 85.6 mt -61.68 -34.69 76.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.114 0.483 . . . . 0.0 109.753 178.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -62.76 -45.45 92.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.625 174.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 39.1 m -60.79 -43.77 97.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.773 177.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 91' ' ' ASP . 73.0 mt -60.07 -45.17 95.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.37 177.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.495 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 50.5 m -57.45 -50.93 71.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.799 178.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -53.81 -50.86 65.21 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.749 0.309 . . . . 0.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 51.1 tp -63.67 -50.26 69.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.327 -175.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 40.9 ttt85 -66.0 -42.15 90.11 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.5 -175.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.495 ' HG2' ' O ' ' A' ' 96' ' ' SER . 30.2 mmm180 -63.39 -40.0 96.04 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.221 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.62 -46.68 89.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.714 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.514 HG21 HD11 ' A' ' 112' ' ' LEU . 99.0 t -67.09 -39.73 83.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.275 -179.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -66.84 -45.12 79.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.795 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 100' ' ' ARG . 10.8 mp -70.36 -9.87 57.44 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.874 -177.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -111.0 -5.41 14.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.019 176.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 20.0 tp 59.94 43.13 15.17 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.333 0.587 . . . . 0.0 110.609 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -91.29 16.54 58.61 Favored Glycine 0 C--O 1.229 -0.202 0 C-N-CA 120.957 -0.639 . . . . 0.0 113.36 -175.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 68.81 116.55 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.499 0.666 . . . . 0.0 112.14 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -71.9 -20.69 61.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.826 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -59.68 -35.4 74.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.87 -175.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 71.2 mt -65.64 -26.98 68.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.279 -177.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.514 HD11 HG21 ' A' ' 102' ' ' VAL . 87.7 mt -77.44 -12.63 59.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.06 -177.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.409 ' HA ' ' CE1' ' A' ' 39' ' ' HIS . 14.7 mt-10 -127.84 38.28 4.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.897 0.379 . . . . 0.0 111.677 -174.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.77 HH11 ' HG ' ' A' ' 119' ' ' LEU . 33.4 mtt180 -70.21 -100.66 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 167.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.626 ' HB3' ' HG ' ' A' ' 118' ' ' LEU . 9.2 tp10 -179.2 152.81 0.56 Allowed 'General case' 0 C--O 1.22 -0.489 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 171.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.62 -39.35 76.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 119.328 0.967 . . . . 0.0 110.17 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -74.92 -7.35 53.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.357 177.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.626 ' HG ' ' HB3' ' A' ' 115' ' ' GLU . 84.4 mt -105.97 -10.2 16.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 178.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.77 ' HG ' HH11 ' A' ' 114' ' ' ARG . 1.2 mp -90.31 110.32 21.39 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.565 0.698 . . . . 0.0 111.856 -173.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 44.0 t -102.73 151.43 6.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 169.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.524 ' HB2' HD11 ' A' ' 82' ' ' LEU . 40.9 t -61.41 163.24 6.9 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 120.819 0.342 . . . . 0.0 111.64 -176.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.283 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.14 166.133 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.685 ' O ' ' HA ' ' A' ' 35' ' ' ASP . 50.4 mm . . . . . 0 N--CA 1.449 -0.477 0 CA-C-O 121.801 0.81 . . . . 0.0 109.467 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.14 102.99 2.99 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.555 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -86.57 161.09 18.72 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -82.32 84.09 7.24 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 174.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.438 ' HB2' HD13 ' A' ' 63' ' ' LEU . . . -135.19 145.39 47.66 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.597 -174.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.411 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 7.7 m-20 -67.88 120.14 13.69 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 176.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.2 m -112.78 109.22 18.56 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.845 0.355 . . . . 0.0 110.818 -176.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -111.47 122.95 49.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.988 0.423 . . . . 0.0 111.167 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.477 HD11 HG11 ' A' ' 43' ' ' VAL . 1.8 mp -96.87 113.35 31.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 172.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.533 ' HB2' ' HB2' ' A' ' 58' ' ' GLU . 40.9 mt -94.61 137.91 33.13 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.632 -175.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.467 ' HB3' ' HZ3' ' A' ' 29' ' ' TRP . 8.6 tt0 -116.05 79.06 1.25 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 170.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.38 -83.54 0.76 Allowed Glycine 0 N--CA 1.443 -0.837 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.387 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -117.23 -5.63 11.33 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -174.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -114.17 152.34 31.33 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 121.151 -0.22 . . . . 0.0 110.489 -176.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -125.36 127.93 47.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.268 0.556 . . . . 0.0 111.798 -171.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.467 ' HZ3' ' HB3' ' A' ' 24' ' ' GLN . 10.9 m-90 -109.8 99.62 8.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.869 176.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -77.17 115.47 16.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.149 176.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.455 HG22 ' H ' ' A' ' 32' ' ' LEU . 9.8 p -136.93 169.58 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.727 -171.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.455 ' H ' HG22 ' A' ' 31' ' ' VAL . 55.1 tp -90.42 137.11 32.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.839 0.352 . . . . 0.0 111.028 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.9 tp -85.19 152.7 23.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.518 178.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -128.45 -38.46 1.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.777 -0.192 . . . . 0.0 111.478 176.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.685 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 10.8 t70 -164.65 157.65 17.05 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 174.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.6 p -156.94 138.88 5.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.888 0.375 . . . . 0.0 110.726 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.6 m -148.0 -169.38 3.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.074 0.464 . . . . 0.0 110.878 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 62.5 tp -69.75 -21.38 63.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.734 0.778 . . . . 0.0 111.287 -176.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -111.85 14.5 21.0 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.564 -171.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.444 ' HA3' HD13 ' A' ' 116' ' ' LEU . . . 149.92 177.79 24.27 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 119.616 -1.278 . . . . 0.0 113.714 177.267 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.7 tt -143.45 135.59 23.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.061 -0.57 . . . . 0.0 109.974 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.68 HD11 ' HB3' ' A' ' 82' ' ' LEU . 34.6 tp -109.5 116.35 31.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.66 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.477 HG11 HD11 ' A' ' 22' ' ' ILE . 34.3 m -114.7 162.88 12.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.508 178.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -118.8 99.32 0.77 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.787 -177.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.436 ' HG2' ' H ' ' A' ' 47' ' ' GLN . 8.7 tt0 -117.57 122.33 30.96 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 177.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 45' ' ' GLN . 23.7 Cg_exo -64.18 -17.2 58.85 Favored 'Trans proline' 0 CA--C 1.529 0.238 0 C-N-CA 122.83 2.353 . . . . 0.0 113.179 -177.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.436 ' H ' ' HG2' ' A' ' 45' ' ' GLN . 10.8 mm100 -99.14 128.51 45.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.847 0.356 . . . . 0.0 110.859 -178.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -89.3 100.19 13.03 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -89.44 173.98 8.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.713 -178.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 . . . . . 0 C--N 1.325 -0.484 0 CA-C-O 121.307 0.575 . . . . 0.0 111.09 179.895 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.477 0.179 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -84.55 125.9 70.34 Favored Pre-proline 0 C--O 1.234 0.24 0 CA-C-O 120.694 0.283 . . . . 0.0 110.801 176.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -74.13 128.69 12.42 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.33 2.02 . . . . 0.0 111.528 175.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.494 ' CE2' ' HB2' ' A' ' 75' ' ' LEU . 43.6 m-85 -123.19 154.4 38.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.145 -178.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.533 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 43.8 mt-10 -117.42 138.3 51.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.782 0.325 . . . . 0.0 111.001 177.263 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.537 ' HB2' HD13 ' A' ' 73' ' ' ILE . . . -106.06 117.35 33.81 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.169 175.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -113.59 110.87 20.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.952 178.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.578 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 88.8 mt -106.37 116.45 31.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.385 -178.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.411 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 61.3 m-85 -101.04 102.31 13.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.156 -177.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.438 HD13 ' HB2' ' A' ' 18' ' ' ALA . 4.4 mm? -88.89 -9.39 51.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.607 0.717 . . . . 0.0 109.272 175.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 177.34 -169.47 41.67 Favored Glycine 0 N--CA 1.442 -0.958 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 178.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.4 tp -80.5 -29.73 37.3 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 117.556 0.678 . . . . 0.0 110.009 177.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -97.35 -31.99 12.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.514 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.3 t -88.61 99.24 8.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.658 -177.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 65.6 tp -119.03 126.53 51.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.722 -178.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.578 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 60.2 mt -113.41 135.84 51.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 175.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -145.79 146.88 31.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.197 0.523 . . . . 0.0 111.636 -175.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -152.94 141.58 20.91 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.186 173.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -81.84 111.91 18.49 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 174.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.562 HG22 ' HA ' ' A' ' 87' ' ' CYS . 23.3 pt -110.65 166.23 5.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.469 0.652 . . . . 0.0 111.572 -172.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.2 p -127.53 133.46 49.81 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.367 -0.833 . . . . 0.0 108.893 173.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.494 ' HB2' ' CE2' ' A' ' 57' ' ' PHE . 63.8 tp -58.74 119.87 7.92 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 177.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -101.44 -50.72 3.66 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.149 -178.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 -157.65 144.97 18.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.147 0.499 . . . . 0.0 111.816 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -122.17 113.43 19.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.175 173.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -120.91 96.99 5.33 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.681 0.277 . . . . 0.0 111.588 -174.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.3 t70 62.36 10.07 3.69 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 168.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 132.7 -22.97 4.04 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.443 -0.884 . . . . 0.0 111.919 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.68 ' HB3' HD11 ' A' ' 42' ' ' LEU . 95.1 mt -93.21 113.18 25.32 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 175.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.1 mp -108.55 119.76 40.47 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.972 0.415 . . . . 0.0 110.918 -178.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -103.2 114.72 4.94 Favored Glycine 0 N--CA 1.439 -1.158 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.447 178.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.414 ' CG ' HD12 ' A' ' 73' ' ' ILE . 84.4 m-85 -100.0 141.69 32.47 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.075 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -93.92 125.49 38.57 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 178.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.562 ' HA ' HG22 ' A' ' 73' ' ' ILE . 78.0 m -74.19 108.67 7.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.526 178.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -81.92 -61.86 1.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 37.3 t60 -116.82 108.49 15.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.285 178.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 90' ' ' ILE . 3.3 mp -99.47 125.35 53.06 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 174.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.498 ' HB3' ' HB2' ' A' ' 94' ' ' SER . 27.5 t70 -60.74 144.05 53.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 123.046 0.216 . . . . 0.0 110.605 -178.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.5 mp -58.94 -41.8 88.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.135 -176.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -73.93 -29.13 61.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.351 0.596 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.498 ' HB2' ' HB3' ' A' ' 91' ' ' ASP . 23.1 t -62.51 -43.93 97.61 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.586 174.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 67.8 mt -65.56 -47.08 87.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.104 178.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.477 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 33.2 p -62.64 -42.91 99.86 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.566 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -58.87 -48.26 82.01 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.649 0.261 . . . . 0.0 110.675 176.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.06 -47.66 84.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.399 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.574 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 2.7 tpt180 -63.02 -48.17 79.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.331 -178.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' A' ' 96' ' ' SER . 29.1 mmm180 -64.97 -34.92 79.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.825 0.345 . . . . 0.0 110.711 -178.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 45.8 tp -61.04 -42.7 98.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.776 175.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.824 HG21 HD11 ' A' ' 112' ' ' LEU . 42.0 t -58.83 -41.92 84.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.054 176.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.574 ' HG2' ' O ' ' A' ' 99' ' ' ARG . 5.1 mm-40 -61.82 -35.11 77.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.057 0.455 . . . . 0.0 110.346 179.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 94.6 mt -79.46 -42.28 25.69 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.167 -174.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 34.2 p30 -98.16 -2.23 40.38 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.7 -176.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 9.3 mp 63.39 30.58 15.45 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 123.611 0.569 . . . . 0.0 112.243 178.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.458 ' O ' HG13 ' A' ' 102' ' ' VAL . . . -75.28 70.94 1.82 Allowed Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 172.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -36.27 138.39 0.21 Allowed 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -169.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' A' ' 113' ' ' GLU . 14.1 pt-20 -66.16 -12.44 55.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.145 -1.389 . . . . 0.0 112.91 -172.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.63 -38.23 71.81 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.313 0.578 . . . . 0.0 109.877 178.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.5 ' HB3' ' NH1' ' A' ' 114' ' ' ARG . 46.7 mt -72.44 -27.54 62.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.58 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.824 HD11 HG21 ' A' ' 102' ' ' VAL . 96.0 mt -77.21 -19.28 56.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.608 179.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 66.8 mm-40 -100.86 18.38 19.68 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.682 -173.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.766 HH21 ' HA ' ' A' ' 119' ' ' LEU . 57.9 mtm-85 -79.14 -160.52 0.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 175.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.601 ' O ' HD13 ' A' ' 119' ' ' LEU . 0.5 OUTLIER -117.21 158.35 24.44 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 173.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.444 HD13 ' HA3' ' A' ' 40' ' ' GLY . 59.5 tp -57.93 -34.03 69.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 118.133 0.424 . . . . 0.0 110.278 178.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -72.68 -11.06 60.48 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.614 175.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.425 ' HB2' ' H ' ' A' ' 115' ' ' GLU . 68.9 mt -105.37 -0.1 26.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.385 178.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.766 ' HA ' HH21 ' A' ' 114' ' ' ARG . 5.9 mp -90.22 91.93 8.72 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.158 0.504 . . . . 0.0 109.842 179.075 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 8.9 t -107.77 163.15 5.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.47 -178.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.0 p -74.59 171.79 13.21 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.83 0.348 . . . . 0.0 111.311 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.33 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -172.404 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.1 mm . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 121.329 0.585 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -156.52 93.13 1.36 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.545 177.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -91.67 153.65 19.54 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.833 -178.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -77.28 78.74 3.8 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 171.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.81 138.19 53.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.599 -174.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.508 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 4.6 m-20 -63.51 117.76 7.19 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 176.088 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.0 m -115.39 113.25 23.51 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.91 0.386 . . . . 0.0 110.401 -177.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -117.79 125.01 49.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.21 178.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.471 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 80.5 mt -96.93 118.92 44.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 174.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.668 HD22 ' HG2' ' A' ' 28' ' ' ARG . 31.0 mt -106.84 153.07 23.04 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.039 0.447 . . . . 0.0 110.99 -174.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.503 ' NE2' ' HB3' ' A' ' 55' ' ' ARG . 55.4 tt0 -149.82 89.21 1.59 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.233 170.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.32 -83.81 0.43 Allowed Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.464 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -111.98 -27.55 8.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.92 0.39 . . . . 0.0 111.109 -177.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -86.88 138.17 31.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.882 0.372 . . . . 0.0 111.434 -170.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.668 ' HG2' HD22 ' A' ' 23' ' ' LEU . 52.1 mtt180 -125.14 111.26 15.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.663 -176.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 25.8 m-90 -98.49 106.01 18.23 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.281 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -71.99 110.78 6.71 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 172.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.4 p -126.15 153.8 34.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.027 0.442 . . . . 0.0 111.542 -171.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.56 139.4 30.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.03 176.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.0 tp -80.33 143.09 33.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.093 -177.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -116.03 -38.92 3.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.622 176.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -175.41 165.54 3.26 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 177.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.0 p -162.15 147.07 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.048 0.451 . . . . 0.0 110.995 178.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.1 p -145.16 -167.97 2.82 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.277 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.1 tp -87.78 12.72 12.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.859 0.838 . . . . 0.0 109.229 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.548 ' ND1' ' HA ' ' A' ' 115' ' ' GLU . 10.5 m170 -110.58 -13.21 14.26 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.657 178.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.467 ' HA3' ' O ' ' A' ' 85' ' ' PHE . . . 144.98 -158.56 27.67 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 114.663 -1.153 . . . . 0.0 112.304 -175.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.8 tt -140.73 148.35 21.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.83 0.347 . . . . 0.0 110.851 -172.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.468 HD11 ' HB3' ' A' ' 82' ' ' LEU . 56.3 tp -121.24 121.49 37.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.338 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.458 HG21 HD11 ' A' ' 22' ' ' ILE . 22.1 m -132.03 -177.26 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.599 178.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.481 ' O ' ' HD3' ' A' ' 46' ' ' PRO . . . -107.45 171.0 16.01 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.998 179.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -112.0 92.27 17.68 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-O 120.817 0.341 . . . . 0.0 110.679 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.481 ' HD3' ' O ' ' A' ' 44' ' ' GLY . 2.5 Cg_endo -88.63 -68.59 0.01 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 123.247 2.631 . . . . 0.0 113.403 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.5 mp0 -84.21 -167.48 1.78 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.832 0.349 . . . . 0.0 111.126 -174.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -64.55 126.23 27.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.474 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.416 ' HH2' HG21 ' A' ' 22' ' ' ILE . 75.4 t-105 -135.5 137.66 42.33 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.029 -173.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.5 m120 . . . . . 0 N--CA 1.464 0.237 0 CA-C-O 120.865 0.364 . . . . 0.0 110.845 179.087 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.505 ' O ' ' HD3' ' A' ' 56' ' ' PRO . 53.1 tp60 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 121.377 0.608 . . . . 0.0 109.569 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.503 ' HB3' ' NE2' ' A' ' 24' ' ' GLN . 7.9 mmt180 -93.2 113.18 59.28 Favored Pre-proline 0 N--CA 1.449 -0.492 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.989 -177.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.505 ' HD3' ' O ' ' A' ' 54' ' ' GLN . 17.5 Cg_exo -65.61 137.4 50.08 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.571 2.181 . . . . 0.0 110.866 169.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -126.76 161.65 27.66 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.789 0.328 . . . . 0.0 110.86 -177.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.537 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 42.8 mt-10 -120.67 148.74 43.53 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 178.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -124.97 124.26 41.63 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.134 0.493 . . . . 0.0 111.819 -178.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.449 ' HD3' ' OH ' ' A' ' 62' ' ' TYR . 94.0 mtt180 -105.36 119.4 38.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.073 173.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.863 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 97.7 mt -113.13 109.46 18.83 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 174.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.508 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 46.9 m-85 -92.33 109.18 20.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.839 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.401 ' HG ' HD22 ' A' ' 101' ' ' LEU . 3.6 mm? -105.65 -6.9 18.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.369 0.604 . . . . 0.0 109.87 175.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -178.66 -158.42 21.19 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.101 -179.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.437 ' H ' HD12 ' A' ' 65' ' ' LEU . 4.5 mp -81.82 -50.85 8.74 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -101.11 -11.65 19.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.438 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.7 t -90.04 84.28 2.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.727 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.2 tt -123.19 137.05 54.99 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.733 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.863 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 75.0 mt -107.83 113.87 44.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.951 177.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.423 ' HD2' HH11 ' A' ' 70' ' ' ARG . 41.9 ttm105 -110.21 114.92 28.79 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.158 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 18.6 ptm -137.93 116.69 12.27 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.92 -177.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -71.0 134.93 47.54 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 174.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.608 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 9.2 pt -130.08 150.61 34.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.475 0.655 . . . . 0.0 111.84 -172.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.3 m -108.31 122.46 47.01 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.311 175.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.96 110.49 1.36 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 178.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -89.39 -44.76 9.96 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.823 -175.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 60.3 p-90 -156.58 158.2 36.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.317 0.58 . . . . 0.0 111.517 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -139.68 105.44 5.15 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.324 -0.853 . . . . 0.0 108.829 177.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -117.86 105.51 12.01 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.71 -173.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.4 t70 62.82 -87.97 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.48 -178.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -124.89 6.65 8.31 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.963 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.468 ' HB3' HD11 ' A' ' 42' ' ' LEU . 59.4 mt -106.23 122.05 45.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.936 0.398 . . . . 0.0 110.872 -177.153 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.412 ' HB2' HG23 ' A' ' 43' ' ' VAL . 80.4 mt -104.09 114.87 29.42 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.027 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.97 121.92 6.73 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.113 -179.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.608 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 75.2 m-85 -115.47 145.39 42.64 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.7 0.286 . . . . 0.0 110.625 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -95.77 138.42 33.44 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 174.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 12.7 p -71.98 111.71 7.46 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.018 0.437 . . . . 0.0 110.167 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -87.81 -49.8 6.87 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.361 -176.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -147.74 138.23 23.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.315 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 27.1 mt -134.24 132.76 55.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.775 0.322 . . . . 0.0 110.551 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.456 ' O ' HG13 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -66.29 136.39 55.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.566 176.806 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.2 mp -61.52 -35.44 77.71 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -175.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -66.9 -43.08 84.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.107 0.48 . . . . 0.0 109.767 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.553 ' HB3' HG23 ' A' ' 69' ' ' ILE . 41.6 m -58.5 -44.37 89.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.465 174.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 91' ' ' ASP . 77.5 mt -57.8 -44.37 85.98 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.152 175.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.1 m -62.15 -36.17 81.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.058 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -67.27 -51.3 54.52 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 176.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.21 -47.01 84.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.382 -178.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.416 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 51.7 ttt-85 -53.47 -58.08 8.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.224 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 -66.46 -36.28 82.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.649 -176.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.491 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 63.4 tp -57.52 -49.88 74.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.694 179.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.584 HG21 HD11 ' A' ' 112' ' ' LEU . 85.9 t -66.42 -38.81 82.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.386 -178.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.709 ' HA ' ' HA2' ' A' ' 107' ' ' GLY . 50.5 mt-10 -59.25 -47.84 83.84 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.794 0.331 . . . . 0.0 110.722 178.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.51 -13.66 59.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.491 ' HB2' ' O ' ' A' ' 101' ' ' LEU . 10.5 t-20 -83.18 -29.37 28.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.123 0.487 . . . . 0.0 110.95 -177.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 44.9 tp -176.53 -33.46 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.295 -0.866 . . . . 0.0 108.682 -178.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.709 ' HA2' ' HA ' ' A' ' 103' ' ' GLU . . . 87.24 7.98 75.77 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 114.975 -1.012 . . . . 0.0 113.069 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.433 ' OD2' ' HG ' ' A' ' 111' ' ' LEU . 16.9 t70 -85.12 110.58 19.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.962 0.411 . . . . 0.0 110.234 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -89.11 -8.43 53.83 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.783 -178.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -70.53 -39.11 74.26 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.433 ' HG ' ' OD2' ' A' ' 108' ' ' ASP . 84.2 mt -57.54 -34.23 68.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.413 174.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.584 HD11 HG21 ' A' ' 102' ' ' VAL . 87.4 mt -78.96 -14.09 59.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.759 0.314 . . . . 0.0 111.085 -178.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -127.83 37.18 4.23 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.246 0.546 . . . . 0.0 110.677 -172.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -75.85 -98.18 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 171.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.696 ' O ' HD13 ' A' ' 119' ' ' LEU . 0.1 OUTLIER -178.4 154.37 0.8 Allowed 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 171.457 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 61.2 tp -59.29 -37.78 78.54 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 177.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.5 -18.2 63.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.378 175.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 82.3 mt -101.6 2.55 39.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.558 -178.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.696 HD13 ' O ' ' A' ' 115' ' ' GLU . 5.7 mp -93.66 114.65 27.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.11 0.481 . . . . 0.0 109.896 178.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 121' ' ' SER . 6.4 t -111.08 167.51 4.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.232 -174.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.469 ' N ' HG12 ' A' ' 120' ' ' VAL . 75.5 m -82.9 172.09 13.19 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.083 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.223 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.641 176.212 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.1 pt . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 121.212 0.529 . . . . 0.0 111.709 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.46 86.72 1.35 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.222 172.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.98 143.73 35.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.835 -178.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -86.64 90.03 8.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.231 0.538 . . . . 0.0 110.634 -178.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -107.04 145.05 32.81 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.386 176.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.547 ' HB3' ' HB2' ' A' ' 62' ' ' TYR . 13.9 t70 -66.92 115.97 7.25 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.6 m -115.95 125.86 53.11 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.737 -170.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -134.93 132.93 39.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.911 171.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.686 HD13 HG11 ' A' ' 31' ' ' VAL . 1.5 mp -97.38 129.0 48.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.43 178.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.782 HD22 ' HG2' ' A' ' 28' ' ' ARG . 26.5 mt -108.88 148.68 30.26 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.727 -175.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.22 50.25 1.32 Allowed 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 169.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.23 -80.92 0.83 Allowed Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.838 -175.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -85.39 -31.77 22.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.938 0.399 . . . . 0.0 111.023 -177.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -97.38 145.09 26.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 -173.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.782 ' HG2' HD22 ' A' ' 23' ' ' LEU . 40.4 mtp180 -132.05 125.2 30.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.484 -174.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 -127.35 108.16 10.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.915 0.388 . . . . 0.0 111.415 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -64.91 124.96 23.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.975 175.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.686 HG11 HD13 ' A' ' 22' ' ' ILE . 9.8 p -131.31 164.1 35.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.846 0.355 . . . . 0.0 111.123 -171.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 mp -97.55 125.11 42.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.55 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.1 tp -79.36 146.93 32.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.454 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -129.68 -38.43 1.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.544 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.499 ' OD2' ' HG ' ' A' ' 119' ' ' LEU . 6.2 t70 -165.77 167.45 16.98 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.5 p -165.14 140.01 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.891 0.377 . . . . 0.0 110.411 -177.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.422 ' HB3' ' O ' ' A' ' 112' ' ' LEU . 50.5 m -152.52 -170.03 3.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.611 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.453 ' HG ' ' HB3' ' A' ' 112' ' ' LEU . 21.2 mt -74.08 -9.2 58.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.453 0.644 . . . . 0.0 110.449 -178.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -93.36 -23.99 18.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.113 -175.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.634 ' HA2' ' HB2' ' A' ' 87' ' ' CYS . . . 157.77 -145.03 11.19 Favored Glycine 0 N--CA 1.44 -1.042 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.658 -175.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.2 tt -154.94 144.65 13.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 120.794 0.331 . . . . 0.0 110.519 -173.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.534 HD22 ' O ' ' A' ' 119' ' ' LEU . 35.7 tp -115.95 117.06 29.09 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.113 0.483 . . . . 0.0 110.365 177.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.455 HG23 ' HB2' ' A' ' 83' ' ' LEU . 30.7 m -123.05 175.45 5.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.731 175.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -127.5 132.91 7.68 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.362 -178.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.604 ' HB3' HD11 ' A' ' 83' ' ' LEU . 3.7 pt20 -84.63 120.58 74.24 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-O 120.915 0.388 . . . . 0.0 110.719 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -93.95 3.88 2.96 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 123.117 2.545 . . . . 0.0 112.065 176.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.455 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 50.8 tp60 -157.09 175.58 13.88 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -174.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.455 ' H ' ' HG3' ' A' ' 47' ' ' GLN . 20.4 t70 -59.18 142.93 50.45 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.314 0.384 . . . . 0.0 110.529 177.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 61.5 t-105 -94.15 153.25 18.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.162 0.506 . . . . 0.0 111.569 -172.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.8 t30 . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.808 -178.876 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.401 HE21 ' HB3' ' A' ' 54' ' ' GLN . 23.5 mt-30 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 110.708 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -108.95 118.21 52.02 Favored Pre-proline 0 N--CA 1.449 -0.521 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.335 -175.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_exo -50.51 142.07 31.64 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 123.976 3.117 . . . . 0.0 114.073 -176.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.461 ' CD1' ' HE1' ' A' ' 85' ' ' PHE . 61.7 m-85 -123.94 143.98 50.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.923 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.509 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 42.9 mt-10 -104.27 137.88 41.54 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -107.17 117.05 33.05 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.789 0.328 . . . . 0.0 111.246 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.6 mtt180 -103.98 107.62 18.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.245 173.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 1.023 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 90.8 mt -105.41 102.88 12.33 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.035 177.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.547 ' HB2' ' HB3' ' A' ' 19' ' ' ASP . 70.5 m-85 -80.93 106.88 13.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.991 179.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.439 HD23 HG11 ' A' ' 67' ' ' VAL . 45.4 tp -102.86 -23.02 13.78 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.248 0.547 . . . . 0.0 109.875 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -159.84 -159.22 9.65 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.049 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.8 tp -82.16 -43.11 18.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.88 0.371 . . . . 0.0 110.139 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -104.89 -13.58 15.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.512 177.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.439 HG11 HD23 ' A' ' 63' ' ' LEU . 31.7 t -90.67 86.11 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-O 121.321 0.581 . . . . 0.0 110.568 -178.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.9 tp -109.89 116.01 30.85 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.794 176.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 1.023 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 58.3 mt -83.84 104.0 11.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.813 177.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 70' ' ' ARG . 16.7 ttt-85 -108.1 111.11 22.98 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.524 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.6 ptp -130.26 136.42 49.17 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 174.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.553 ' HB2' ' HB3' ' A' ' 89' ' ' HIS . 89.6 mt-10 -95.0 115.86 27.97 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.55 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 8.7 pt -115.59 153.65 17.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.659 -168.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.3 p -114.48 118.88 35.04 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.548 176.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 55.1 tp -57.97 115.07 2.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.95 0.405 . . . . 0.0 110.608 -178.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -91.12 -50.8 5.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.839 -175.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 66.2 p-90 -145.26 147.43 32.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.576 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -143.84 113.25 6.94 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.381 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -156.81 144.28 19.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.675 0.274 . . . . 0.0 111.196 -179.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 59.85 24.34 13.37 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.167 171.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.69 -19.21 55.65 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.723 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.7 mt -86.96 129.21 34.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.984 0.421 . . . . 0.0 110.831 -178.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.604 HD11 ' HB3' ' A' ' 45' ' ' GLN . 75.6 mt -114.52 110.65 20.15 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.217 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -104.19 113.04 4.3 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.959 -0.638 . . . . 0.0 111.884 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.55 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 54.4 m-85 -104.4 141.18 36.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.924 0.392 . . . . 0.0 110.621 -179.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -87.28 127.06 35.18 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 174.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.695 ' SG ' HG12 ' A' ' 90' ' ' ILE . 3.2 t -71.85 101.02 2.53 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.187 0.518 . . . . 0.0 109.635 -179.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.785 HE21 ' HA ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -85.3 -61.51 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.798 -171.872 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.553 ' HB3' ' HB2' ' A' ' 72' ' ' GLU . 10.7 t-160 -118.18 98.38 6.27 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.441 -179.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.695 HG12 ' SG ' ' A' ' 87' ' ' CYS . 1.1 mt -92.24 114.36 29.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.466 ' O ' HG12 ' A' ' 95' ' ' ILE . 21.3 t70 -71.79 143.41 49.54 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 -178.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.0 mp -54.16 -35.41 62.24 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.644 0.59 . . . . 0.0 111.781 -176.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -66.22 -39.26 89.46 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.382 0.61 . . . . 0.0 110.295 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.6 m -73.82 -27.42 61.1 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.81 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.466 HG12 ' O ' ' A' ' 91' ' ' ASP . 42.2 mm -57.57 -46.67 86.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 172.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.0 t -67.53 -43.15 81.47 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.293 -178.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -60.86 -53.47 56.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.345 -178.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 54.9 tp -64.4 -50.58 67.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 -175.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -63.42 -48.64 76.93 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.708 -176.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 100' ' ' ARG . 48.4 mtt-85 -69.72 -28.14 65.56 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -174.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 55.1 tp -67.0 -41.03 87.41 Favored 'General case' 0 C--O 1.22 -0.479 0 C-N-CA 120.155 -0.618 . . . . 0.0 109.775 174.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.706 HG21 HD11 ' A' ' 112' ' ' LEU . 93.3 t -70.21 -41.24 78.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.782 0.325 . . . . 0.0 110.705 178.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -67.29 -58.01 5.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.48 -178.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.86 -23.68 66.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.951 0.405 . . . . 0.0 112.026 -174.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -101.54 4.29 40.91 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.061 0.458 . . . . 0.0 110.279 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 54.8 42.99 30.74 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.659 177.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -82.85 -1.64 90.62 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 121.162 -0.542 . . . . 0.0 113.032 -178.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.51 ' OD2' ' HB2' ' A' ' 110' ' ' GLU . 14.3 t70 73.82 129.07 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.472 0.709 . . . . 0.0 111.555 177.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -74.69 -25.43 59.15 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -174.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.51 ' HB2' ' OD2' ' A' ' 108' ' ' ASP . 0.6 OUTLIER -63.48 -24.19 67.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.758 0.313 . . . . 0.0 111.589 -173.722 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.494 ' HB3' HH11 ' A' ' 114' ' ' ARG . 72.6 mt -76.01 -21.98 56.3 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.027 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.706 HD11 HG21 ' A' ' 102' ' ' VAL . 94.2 mt -80.7 -13.92 58.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.083 0.468 . . . . 0.0 110.352 178.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -120.87 31.9 6.21 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.803 -173.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.606 HH21 ' HA ' ' A' ' 119' ' ' LEU . 64.9 mtm-85 -75.4 -88.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 175.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.719 ' O ' HD13 ' A' ' 119' ' ' LEU . 0.8 OUTLIER 175.93 158.3 0.25 Allowed 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 106.494 -1.669 . . . . 0.0 106.494 173.271 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 63.9 tp -63.46 -35.56 80.85 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 118.872 0.76 . . . . 0.0 109.823 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -79.88 -3.11 46.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.089 0.471 . . . . 0.0 110.888 175.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 49.3 mt -107.6 7.09 28.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.601 0.715 . . . . 0.0 110.057 175.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.719 HD13 ' O ' ' A' ' 115' ' ' GLU . 4.9 mp -101.11 91.18 4.42 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 172.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.874 HG22 ' H ' ' A' ' 121' ' ' SER . 7.4 p -108.33 -171.68 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.781 -170.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.874 ' H ' HG22 ' A' ' 120' ' ' VAL . 47.3 m -72.16 172.08 10.83 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 122.777 0.431 . . . . 0.0 111.23 -176.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.374 179.727 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.8 pt . . . . . 0 N--CA 1.451 -0.421 0 CA-C-O 121.787 0.803 . . . . 0.0 110.463 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.38 100.24 6.92 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.35 -0.841 . . . . 0.0 108.863 176.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -87.33 152.31 22.38 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.84 -171.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -78.0 64.96 3.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.697 0.76 . . . . 0.0 109.863 173.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.21 155.1 33.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.831 -174.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.506 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 6.9 m-20 -83.3 128.58 34.62 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 177.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 p -120.87 111.92 18.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.948 0.404 . . . . 0.0 111.306 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.666 ' HG2' ' HG2' ' A' ' 30' ' ' GLU . 37.5 mt-10 -114.94 135.77 53.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.374 177.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.533 HD11 HG21 ' A' ' 43' ' ' VAL . 90.2 mt -103.07 112.95 38.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.222 0.534 . . . . 0.0 109.951 175.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.457 HD11 ' HB2' ' A' ' 60' ' ' ARG . 3.1 mt -95.83 146.01 24.9 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.942 -176.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -143.87 84.26 1.78 Allowed 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 172.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.98 -96.29 0.16 Allowed Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.306 -0.861 . . . . 0.0 113.008 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -81.76 -24.63 35.92 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.386 -0.407 . . . . 0.0 111.552 -174.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -119.34 164.2 16.05 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.655 -169.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.462 ' HD2' ' O ' ' A' ' 28' ' ' ARG . 0.3 OUTLIER -147.85 133.09 18.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.292 175.777 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 27.8 m-90 -116.72 119.19 34.68 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.232 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.666 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 41.7 mt-10 -73.43 122.56 22.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.312 0.577 . . . . 0.0 110.499 176.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.635 HG23 ' HG3' ' A' ' 45' ' ' GLN . 11.2 p -120.78 162.86 19.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.415 -173.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.415 ' N ' HG22 ' A' ' 31' ' ' VAL . 7.5 mp -88.5 122.85 32.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.341 175.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.9 tp -70.78 146.47 49.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.04 175.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -135.59 -57.69 0.78 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.42 177.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.55 ' OD2' ' HG ' ' A' ' 119' ' ' LEU . 6.5 t70 -149.71 143.03 25.19 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 176.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.428 HG23 ' HB ' ' A' ' 41' ' ' ILE . 9.8 p -148.14 150.44 14.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 110.523 -0.177 . . . . 0.0 110.523 -173.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.437 ' OG ' ' HA ' ' A' ' 112' ' ' LEU . 10.3 t -166.99 -164.02 0.59 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.033 0.444 . . . . 0.0 111.064 -179.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 59.5 mt -88.2 8.85 25.14 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.72 -174.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -109.21 -12.69 14.76 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 121.703 0.763 . . . . 0.0 109.11 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.455 ' HA3' ' O ' ' A' ' 85' ' ' PHE . . . 142.13 -143.36 12.77 Favored Glycine 0 N--CA 1.44 -1.049 0 CA-C-N 114.593 -1.185 . . . . 0.0 111.111 -174.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.428 ' HB ' HG23 ' A' ' 36' ' ' VAL . 13.4 tt -165.33 144.27 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.703 0.252 . . . . 0.0 110.874 -174.13 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.4 tp -116.85 115.24 25.16 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.143 0.496 . . . . 0.0 109.786 174.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.533 HG21 HD11 ' A' ' 22' ' ' ILE . 14.2 m -119.19 176.96 2.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.572 -178.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -136.65 121.58 2.42 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.257 -0.973 . . . . 0.0 113.084 -178.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.635 ' HG3' HG23 ' A' ' 31' ' ' VAL . 33.9 mt-30 -117.68 167.69 10.65 Favored Pre-proline 0 C--N 1.324 -0.515 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 172.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.516 ' O ' ' HG3' ' A' ' 47' ' ' GLN . 39.1 Cg_exo -60.01 -64.09 0.11 Allowed 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 121.819 1.68 . . . . 0.0 110.604 169.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.516 ' HG3' ' O ' ' A' ' 46' ' ' PRO . 39.8 mt-30 -171.5 -170.92 0.86 Allowed 'General case' 0 C--O 1.233 0.236 0 O-C-N 124.084 0.865 . . . . 0.0 109.252 177.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 47' ' ' GLN . 1.1 m-20 77.31 152.72 0.13 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.647 0.981 . . . . 0.0 113.647 171.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.581 ' CZ2' HD13 ' A' ' 83' ' ' LEU . 9.0 m95 -153.2 -172.04 4.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.044 -1.434 . . . . 0.0 109.328 176.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 120.742 0.306 . . . . 0.0 110.606 176.888 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 . . . . . 0 C--O 1.232 0.151 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -92.97 112.45 56.07 Favored Pre-proline 0 N--CA 1.446 -0.673 0 CA-C-N 114.449 -1.251 . . . . 0.0 110.15 177.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -56.43 139.69 87.51 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 123.238 2.625 . . . . 0.0 112.233 177.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -111.8 158.06 19.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.447 -178.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -134.39 130.12 36.39 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.479 ' HB2' HD13 ' A' ' 73' ' ' ILE . . . -97.3 122.77 40.71 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.315 -179.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.457 ' HB2' HD11 ' A' ' 23' ' ' LEU . 50.8 ttp180 -114.53 105.17 12.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.669 179.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.892 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 70.7 mt -103.97 128.07 51.52 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.776 -175.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.506 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 62.9 m-85 -99.0 113.07 25.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.648 179.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -113.43 2.62 15.49 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.169 0.509 . . . . 0.0 109.801 174.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.85 -175.72 47.73 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.052 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.1 mp -68.04 -42.03 81.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.072 0.463 . . . . 0.0 110.04 177.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -100.78 -33.85 10.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.939 176.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.9 t -67.37 96.46 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.149 0.5 . . . . 0.0 110.817 -175.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.442 HD11 ' CG ' ' A' ' 60' ' ' ARG . 32.7 tp -121.78 122.31 39.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.285 -176.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.892 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 62.6 mt -99.84 106.67 19.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.07 178.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.2 ptp85 -107.39 127.69 53.81 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.263 178.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.433 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 23.2 ptm -142.74 122.66 13.55 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.093 0.473 . . . . 0.0 110.657 177.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.701 ' HG2' HE21 ' A' ' 88' ' ' GLN . 34.2 tt0 -71.11 126.26 29.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.297 177.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.66 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 14.5 pt -132.27 151.65 35.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.48 0.657 . . . . 0.0 111.962 -173.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.44 ' HB3' ' OE1' ' A' ' 88' ' ' GLN . 10.8 p -112.16 138.15 49.23 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.65 174.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 43.8 tp -74.74 103.17 4.91 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.18 -44.79 12.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.349 -175.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 63.3 p-90 -151.46 146.94 26.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.967 0.413 . . . . 0.0 110.961 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -131.27 99.15 4.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.646 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.648 ' HB3' ' HB2' ' A' ' 82' ' ' LEU . 16.9 tpt180 -84.03 67.63 9.74 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.106 176.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.7 t70 63.17 -85.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.405 -176.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -98.16 -22.35 15.38 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.39 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.648 ' HB2' ' HB3' ' A' ' 79' ' ' ARG . 81.4 mt -84.59 113.49 21.29 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -179.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.581 HD13 ' CZ2' ' A' ' 49' ' ' TRP . 34.0 mt -108.78 110.51 21.91 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -172.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -99.28 117.11 5.77 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.054 -0.594 . . . . 0.0 112.026 -178.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.66 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 97.5 m-85 -109.14 146.81 33.48 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.933 0.397 . . . . 0.0 111.022 -178.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -104.13 149.13 25.51 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.151 175.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 8.3 p -78.48 119.79 22.28 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.97 0.415 . . . . 0.0 111.777 -176.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.701 HE21 ' HG2' ' A' ' 72' ' ' GLU . 26.0 mt-30 -96.3 -35.85 11.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.652 175.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -167.42 100.53 0.5 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.893 0.378 . . . . 0.0 111.025 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 37.9 mt -89.9 121.08 39.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 175.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.436 ' O ' HG13 ' A' ' 95' ' ' ILE . 18.7 t70 -66.75 150.45 49.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.808 0.337 . . . . 0.0 111.188 -175.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 72.3 mt -61.8 -39.05 90.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.61 -176.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -66.74 -40.92 88.52 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.569 ' HB3' HG23 ' A' ' 69' ' ' ILE . 15.3 m -59.11 -47.44 85.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.765 176.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 91' ' ' ASP . 73.5 mt -60.3 -43.65 94.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.448 178.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 44.5 m -59.15 -44.78 92.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.844 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -69.7 -38.03 76.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.93 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.5 tp -66.48 -41.98 88.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.656 0.265 . . . . 0.0 110.988 -179.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -60.26 -43.97 95.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.01 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.605 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -67.38 -39.74 85.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.573 177.52 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.5 tp -61.37 -46.3 90.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.273 -177.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.461 HG21 HD11 ' A' ' 112' ' ' LEU . 59.4 t -66.1 -36.72 78.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 177.081 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -59.62 -40.32 87.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.793 176.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 85.2 mt -73.46 -8.85 57.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.385 -178.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -106.89 -30.32 8.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.072 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 88.9 mt 62.72 19.7 11.58 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.576 0.547 . . . . 0.0 111.125 -178.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -87.62 53.77 4.35 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.577 -176.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 63.61 111.31 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.73 0.776 . . . . 0.0 112.546 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.444 ' H ' ' CD ' ' A' ' 109' ' ' GLU . 0.3 OUTLIER -73.93 -17.43 61.02 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 173.15 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.59 -28.11 69.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.324 177.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.499 HD22 HH11 ' A' ' 114' ' ' ARG . 43.6 mt -65.36 -20.71 66.51 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.07 0.462 . . . . 0.0 110.508 179.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.461 HD11 HG21 ' A' ' 102' ' ' VAL . 95.2 mt -75.27 -8.16 55.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.07 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -122.43 30.94 6.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.698 0.285 . . . . 0.0 111.448 -177.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.5 HH21 ' HG ' ' A' ' 119' ' ' LEU . 29.2 mtm180 -85.22 -159.07 0.41 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 173.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.47 ' O ' HD13 ' A' ' 119' ' ' LEU . 5.2 tm-20 -116.28 156.95 25.72 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 174.245 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 67.6 tp -54.99 -40.07 69.7 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 117.919 0.327 . . . . 0.0 111.797 -176.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.41 -16.27 63.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.722 0.296 . . . . 0.0 111.738 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 88.5 mt -87.27 -14.97 39.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.235 0.541 . . . . 0.0 110.296 176.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.55 ' HG ' ' OD2' ' A' ' 35' ' ' ASP . 9.8 mp -84.66 79.65 9.52 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 175.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 15.6 t -96.28 149.85 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.421 -173.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 74.4 m -79.3 172.09 14.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.18 177.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.234 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.216 178.445 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.67 ' O ' ' HA ' ' A' ' 35' ' ' ASP . 48.3 mm . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 121.845 0.831 . . . . 0.0 111.504 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -150.97 108.99 3.71 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.425 177.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -95.54 165.25 12.43 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -78.66 47.58 0.74 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.765 0.793 . . . . 0.0 110.271 176.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.444 ' HB1' ' O ' ' A' ' 62' ' ' TYR . . . -107.9 174.14 6.01 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.389 -177.336 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.52 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 5.2 m-20 -93.52 130.17 39.48 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 177.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 p -126.94 110.93 13.53 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.956 0.408 . . . . 0.0 111.0 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -112.03 142.13 44.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.476 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 74.9 mt -100.32 124.56 53.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 171.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.532 ' HB2' ' HB2' ' A' ' 58' ' ' GLU . 39.5 mt -112.33 163.51 14.32 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.021 0.439 . . . . 0.0 110.93 -174.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.41 HE21 ' HB2' ' A' ' 24' ' ' GLN . 8.5 tt0 -146.77 72.78 1.29 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 170.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.02 -60.29 2.65 Favored Glycine 0 CA--C 1.522 0.48 0 CA-C-N 115.155 -0.929 . . . . 0.0 113.127 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -121.82 -45.39 2.28 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -172.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 mtm180 -86.41 149.83 24.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.802 0.335 . . . . 0.0 111.307 -172.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -126.2 130.29 50.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.195 -172.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 16.8 m-90 -127.1 106.83 9.53 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.521 0.2 . . . . 0.0 110.775 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -68.7 120.63 14.98 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.4 p -126.79 153.01 35.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.368 -0.378 . . . . 0.0 109.989 -177.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.505 HD13 ' HG3' ' A' ' 45' ' ' GLN . 9.3 mp -80.9 126.97 32.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.729 0.299 . . . . 0.0 110.681 178.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.0 tp -76.93 140.0 40.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.834 176.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -122.74 -36.54 2.88 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 177.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.67 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 12.7 t70 -163.89 160.98 22.74 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 172.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.1 p -157.09 124.91 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.136 0.493 . . . . 0.0 110.17 178.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 69.9 p -132.6 -173.11 3.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.111 0.481 . . . . 0.0 111.254 -175.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.63 HD12 HD12 ' A' ' 90' ' ' ILE . 52.7 tp -79.5 -3.86 48.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.518 0.675 . . . . 0.0 110.661 -177.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.414 ' ND1' ' HA ' ' A' ' 115' ' ' GLU . 2.6 m80 -102.7 -30.72 10.73 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 122.17 0.986 . . . . 0.0 109.221 -175.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.642 ' HA2' ' SG ' ' A' ' 87' ' ' CYS . . . 171.08 178.74 41.8 Favored Glycine 0 N--CA 1.436 -1.313 0 CA-C-N 113.755 -1.566 . . . . 0.0 111.449 -174.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.9 tt -123.22 138.81 51.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-O 120.96 0.41 . . . . 0.0 109.985 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.8 tp -114.05 100.72 8.6 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.295 0.569 . . . . 0.0 110.411 -177.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.5 m -105.71 -175.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 176.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -179.9 121.92 0.76 Allowed Glycine 0 N--CA 1.442 -0.949 0 C-N-CA 119.298 -1.43 . . . . 0.0 113.328 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.505 ' HG3' HD13 ' A' ' 32' ' ' LEU . 1.2 tm0? 177.64 -58.33 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.432 0 O-C-N 124.505 0.767 . . . . 0.0 109.98 176.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.459 ' HD3' ' CB ' ' A' ' 45' ' ' GLN . 2.1 Cg_endo -81.85 149.94 16.12 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 122.288 1.992 . . . . 0.0 112.214 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -116.1 -13.93 11.18 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.338 177.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.95 163.33 22.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.584 179.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -134.47 -179.06 5.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.005 0.431 . . . . 0.0 111.58 -176.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.2 t30 . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.402 -178.883 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 . . . . . 0 CA--C 1.527 0.086 0 CA-C-O 120.698 0.285 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -86.12 130.93 48.19 Favored Pre-proline 0 N--CA 1.449 -0.507 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -49.14 116.64 2.34 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.413 2.742 . . . . 0.0 112.675 177.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.415 ' CD1' ' HE2' ' A' ' 85' ' ' PHE . 27.6 m-85 -108.53 143.27 37.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.102 -179.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.532 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 35.6 mt-10 -116.32 150.68 37.28 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 178.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.459 ' HB3' ' CG ' ' A' ' 71' ' ' MET . . . -116.82 126.01 52.41 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 120.781 0.324 . . . . 0.0 110.293 176.031 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -120.09 105.3 10.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.564 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.766 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 77.8 mt -101.97 130.44 48.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.925 -174.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.52 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 42.6 m-85 -103.9 93.5 4.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.602 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.51 HD23 HD22 ' A' ' 101' ' ' LEU . 9.9 mp -93.07 -5.92 49.3 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.639 0.733 . . . . 0.0 109.585 177.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.77 175.88 44.45 Favored Glycine 0 N--CA 1.44 -1.046 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.628 177.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.3 mp -69.8 -30.19 67.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.075 0.464 . . . . 0.0 110.312 177.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -110.56 3.98 19.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.81 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.2 t -114.7 85.84 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.933 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 45.0 tp -107.89 129.83 55.06 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.121 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.766 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 56.9 mt -113.59 123.05 68.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.637 178.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.2 ptt85 -116.35 144.54 44.13 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 173.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.459 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 15.8 ptm -158.58 140.18 13.52 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.202 178.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.537 ' HB2' ' HB3' ' A' ' 89' ' ' HIS . 2.3 mp0 -93.01 123.29 36.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.299 -177.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 23.3 pt -128.88 171.61 16.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.046 -176.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.486 ' HB2' ' NE2' ' A' ' 88' ' ' GLN . 9.0 t -140.41 135.88 32.51 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 175.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 44.2 tp -71.57 112.74 7.93 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.093 0.473 . . . . 0.0 110.931 -176.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.14 -55.83 3.64 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.918 -177.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 64.3 p-90 -141.25 142.49 33.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.863 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -137.23 120.35 16.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.019 177.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.0 ttt180 -145.69 138.28 25.76 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.856 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 57.38 -102.98 0.16 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.733 0.646 . . . . 0.0 110.791 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.418 ' O ' HD23 ' A' ' 82' ' ' LEU . . . -133.92 34.51 2.38 Favored Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 175.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.418 HD23 ' O ' ' A' ' 81' ' ' GLY . 82.4 mt -131.99 125.94 32.76 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.0 mp -129.97 119.37 23.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.061 0.458 . . . . 0.0 110.854 -177.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -101.43 119.34 6.46 Favored Glycine 0 N--CA 1.444 -0.823 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.88 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.415 ' HE2' ' CD1' ' A' ' 57' ' ' PHE . 28.1 m-85 -105.15 140.68 37.95 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -85.14 141.44 30.19 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 173.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.642 ' SG ' ' HA2' ' A' ' 40' ' ' GLY . 34.6 m -86.66 107.5 18.22 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 120.921 0.391 . . . . 0.0 110.584 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.486 ' NE2' ' HB2' ' A' ' 74' ' ' SER . 44.9 mt-30 -81.64 -50.27 9.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.636 -178.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.537 ' HB3' ' HB2' ' A' ' 72' ' ' GLU . 8.3 t60 -138.32 98.33 3.58 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.565 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.63 HD12 HD12 ' A' ' 38' ' ' LEU . 25.0 mt -93.96 106.68 18.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 169.045 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -70.58 160.83 31.79 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.987 -172.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.417 ' N ' HD12 ' A' ' 92' ' ' LEU . 6.6 mp -62.82 -36.2 82.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.273 -178.32 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -64.93 -37.73 88.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.83 177.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 35.7 t -63.51 -52.18 62.35 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.33 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 65.8 mt -58.45 -40.21 77.62 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.388 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.64 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 54.7 m -56.33 -53.41 57.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.239 -178.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -67.03 -46.31 74.81 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -176.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.9 -47.51 82.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.01 0.433 . . . . 0.0 110.872 -178.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.415 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 15.8 tpp180 -58.55 -44.53 89.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.007 -179.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.545 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 2.1 mmp_? -55.01 -50.89 67.9 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.271 0.357 . . . . 0.0 111.117 179.109 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.51 HD22 HD23 ' A' ' 63' ' ' LEU . 34.8 tp -64.6 -40.6 95.8 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.317 -178.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 37.5 t -53.71 -48.81 60.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.568 177.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 99' ' ' ARG . 40.2 mt-10 -64.94 -43.41 92.82 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.391 -178.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 75.3 mt -70.1 -35.32 74.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.48 -177.23 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.66 0.73 56.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.557 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 26.0 tp 61.6 40.93 12.89 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.615 0.722 . . . . 0.0 110.376 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -73.52 103.22 1.39 Allowed Glycine 0 N--CA 1.44 -1.066 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 175.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -49.41 129.71 19.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.765 0.317 . . . . 0.0 110.49 175.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.1 -9.85 58.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.975 -175.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -50.63 -53.62 29.33 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.741 0.305 . . . . 0.0 110.576 -179.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 54.1 mt -58.8 -45.14 90.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.86 -178.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.56 -22.16 66.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.536 -176.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -121.01 26.26 9.15 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.505 -169.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.44 ' HB3' ' H ' ' A' ' 115' ' ' GLU . 17.8 ttm180 -93.3 -100.2 0.14 Allowed 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 174.447 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.482 ' HB2' HD12 ' A' ' 118' ' ' LEU . 0.4 OUTLIER -169.33 157.8 7.71 Favored 'General case' 0 C--O 1.223 -0.328 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 170.111 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.401 ' H ' ' CD ' ' A' ' 115' ' ' GLU . 63.4 tp -59.75 -47.4 85.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.993 0.425 . . . . 0.0 110.012 177.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.61 -12.54 61.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.295 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.482 HD12 ' HB2' ' A' ' 115' ' ' GLU . 76.4 mt -96.8 -6.16 36.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.104 0.478 . . . . 0.0 110.354 177.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.5 mp -104.18 158.64 16.3 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.517 -177.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.2 p -151.61 150.07 13.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 63.9 m -68.3 172.28 6.12 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.057 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.236 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -176.355 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.8 tp . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.415 ' HB2' ' HA ' ' A' ' 35' ' ' ASP . . . 70.9 -53.9 0.67 Allowed 'General case' 0 N--CA 1.472 0.665 0 O-C-N 123.491 0.495 . . . . 0.0 110.523 -172.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.6 p90 47.42 -169.67 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 171.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -94.27 101.11 13.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.371 178.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.08 139.19 44.53 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.64 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.557 ' HB3' ' HB2' ' A' ' 62' ' ' TYR . 7.3 t70 -84.58 113.38 21.21 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 174.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.3 t -114.45 137.6 51.64 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.32 0.581 . . . . 0.0 111.834 -171.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.458 ' HB2' ' HB2' ' A' ' 28' ' ' ARG . 8.1 pt-20 -136.23 130.47 33.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.896 172.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.48 ' O ' ' HE3' ' A' ' 29' ' ' TRP . 86.9 mt -98.9 116.34 41.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.892 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.531 ' HB2' ' HB2' ' A' ' 58' ' ' GLU . 3.9 mt -96.03 164.19 12.81 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.186 0.517 . . . . 0.0 110.933 -174.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -144.59 74.36 1.41 Allowed 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.171 -0.922 . . . . 0.0 108.619 166.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.71 -53.4 4.85 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.423 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -135.09 -54.42 0.8 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.673 0.273 . . . . 0.0 111.637 -175.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -78.91 155.5 29.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.047 -173.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.458 ' HB2' ' HB2' ' A' ' 21' ' ' GLU . 33.9 ptt180 -133.46 131.34 39.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.482 0.658 . . . . 0.0 111.848 -178.224 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.548 ' HZ2' ' HB3' ' A' ' 50' ' ' ASN . 28.0 m-90 -95.99 114.11 25.79 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.949 173.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -69.25 129.25 39.3 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 174.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.7 p -147.82 148.13 16.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.533 -175.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.3 mp -84.89 124.18 31.33 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.189 176.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.5 tp -72.43 141.15 48.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.147 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -124.79 -19.15 5.38 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.456 179.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.415 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . 7.6 t70 -175.48 158.84 2.33 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 172.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.3 p -160.4 141.39 3.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.876 0.369 . . . . 0.0 110.542 -177.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.9 p -158.7 -166.48 1.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.823 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.9 mt -101.54 20.16 16.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.341 0.591 . . . . 0.0 110.569 -177.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -141.89 15.97 2.12 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.765 177.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.81 162.41 9.88 Favored Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.349 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.471 ' CG2' ' HB2' ' A' ' 85' ' ' PHE . 7.7 tt -137.94 133.5 44.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.66 HD11 ' HB3' ' A' ' 82' ' ' LEU . 43.2 tp -112.99 122.33 47.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.151 0.501 . . . . 0.0 110.797 -175.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.4 m -126.7 166.37 23.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.777 178.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -115.46 93.73 0.63 Allowed Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 176.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.827 ' HB3' HD12 ' A' ' 83' ' ' LEU . 49.7 tt0 -115.79 113.05 42.46 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-O 121.007 0.432 . . . . 0.0 111.937 -170.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 45' ' ' GLN . 1.9 Cg_endo -83.71 -9.69 9.87 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 123.529 2.819 . . . . 0.0 111.534 171.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -73.12 138.34 45.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.114 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -79.45 148.01 32.07 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.551 -173.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.541 ' HA ' ' CE3' ' A' ' 49' ' ' TRP . 4.5 m95 -75.71 134.14 40.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.372 177.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.548 ' HB3' ' HZ2' ' A' ' 29' ' ' TRP . 28.2 p-10 . . . . . 0 N--CA 1.466 0.341 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.43 -171.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 . . . . . 0 N--CA 1.462 0.155 0 CA-C-O 120.996 0.427 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.8 mtp85 -79.18 147.05 68.49 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 175.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -65.52 131.95 29.55 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.644 2.229 . . . . 0.0 112.707 -176.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.412 ' HB2' HG13 ' A' ' 73' ' ' ILE . 70.4 m-85 -119.43 166.19 13.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.021 179.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.531 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 29.8 mt-10 -127.31 131.79 50.39 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.607 ' O ' ' HA ' ' A' ' 70' ' ' ARG . . . -98.85 108.41 21.09 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 121.135 -0.226 . . . . 0.0 110.476 179.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.504 ' HA ' ' O ' ' A' ' 69' ' ' ILE . 37.5 ttp180 -113.77 111.53 21.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.093 0.473 . . . . 0.0 110.2 177.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.655 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 81.8 mt -105.62 125.45 51.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.268 -176.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.557 ' HB2' ' HB3' ' A' ' 19' ' ' ASP . 58.4 m-85 -93.38 111.29 22.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.218 175.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.813 HD13 HD22 ' A' ' 101' ' ' LEU . 80.2 mt -107.81 -10.03 15.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.515 0.674 . . . . 0.0 110.094 177.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 177.2 -162.34 30.39 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.498 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.9 mp -90.78 -16.32 28.58 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 117.159 0.48 . . . . 0.0 110.46 177.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -108.01 -42.09 4.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.995 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.9 t -84.32 96.83 4.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.053 0.454 . . . . 0.0 111.1 -177.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.5 tp -116.99 120.62 38.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.598 176.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.655 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 62.7 mt -99.06 138.36 23.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.539 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.607 ' HA ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -143.17 143.83 31.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.682 -0.236 . . . . 0.0 110.422 175.239 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.461 ' HA ' ' NH2' ' A' ' 70' ' ' ARG . 25.9 ptt? -161.82 152.92 18.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.356 175.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.53 ' HB2' ' HB3' ' A' ' 89' ' ' HIS . 57.5 mp0 -86.04 129.43 34.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.894 0.378 . . . . 0.0 110.442 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.523 HG22 ' HA ' ' A' ' 87' ' ' CYS . 19.0 pt -133.07 163.58 37.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -177.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.3 t -139.45 136.63 34.84 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 175.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.433 HD11 ' HB2' ' A' ' 78' ' ' ALA . 1.5 tm? -76.72 112.49 13.35 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -177.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -123.18 -4.72 8.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.409 0.623 . . . . 0.0 110.223 176.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.542 ' CZ3' ' HB2' ' A' ' 79' ' ' ARG . 9.8 t90 -132.28 134.34 45.16 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-O 122.116 0.96 . . . . 0.0 109.483 -177.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.433 ' HB2' HD11 ' A' ' 75' ' ' LEU . . . -155.04 99.38 2.1 Favored 'General case' 0 C--N 1.284 -2.274 0 CA-C-N 113.715 -1.584 . . . . 0.0 110.632 -175.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.542 ' HB2' ' CZ3' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -103.42 76.18 1.4 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.672 178.268 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 36.9 t70 63.07 -88.52 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.349 -177.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -108.23 -12.12 22.46 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.386 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.66 ' HB3' HD11 ' A' ' 42' ' ' LEU . 96.2 mt -88.08 112.91 23.19 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 176.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.827 HD12 ' HB3' ' A' ' 45' ' ' GLN . 95.1 mt -102.59 122.39 44.29 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.782 -175.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -109.71 107.79 2.41 Favored Glycine 0 N--CA 1.444 -0.825 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.764 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.516 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 57.8 m-85 -93.16 128.52 39.14 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.31 138.27 33.62 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 173.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.523 ' HA ' HG22 ' A' ' 73' ' ' ILE . 3.7 p -84.82 114.25 21.95 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.017 -175.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -82.74 -55.24 4.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.462 -178.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.53 ' HB3' ' HB2' ' A' ' 72' ' ' GLU . 28.6 t60 -126.49 112.26 15.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.364 -176.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.423 HD11 ' HB2' ' A' ' 87' ' ' CYS . 1.9 mp -118.18 115.79 49.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.996 176.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.401 ' O ' HG13 ' A' ' 95' ' ' ILE . 5.3 p-10 -83.04 159.9 22.07 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.807 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 40.8 tp -62.93 -29.96 71.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.155 -177.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.68 -47.93 70.88 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.2 t -56.13 -49.34 74.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.226 175.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 91' ' ' ASP . 77.1 mt -57.65 -48.6 82.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.439 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.3 p -64.2 -37.93 89.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.69 -175.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -69.72 -43.78 71.68 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.54 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -66.14 -53.93 31.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.225 -177.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -57.85 -46.41 84.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.55 -178.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.596 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 30.5 ttt180 -65.84 -36.19 82.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.131 -173.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.813 HD22 HD13 ' A' ' 63' ' ' LEU . 25.4 tp -64.7 -40.83 96.03 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.503 179.103 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 56.2 t -60.74 -39.26 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.265 177.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -68.53 -35.14 77.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.769 177.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 93.5 mt -72.25 -20.78 61.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.299 -178.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -118.04 8.81 12.56 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -175.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 31.0 tp 57.35 46.53 18.21 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.472 0.653 . . . . 0.0 110.779 178.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.427 ' O ' HD12 ' A' ' 111' ' ' LEU . . . -80.2 -4.38 89.81 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.602 -0.727 . . . . 0.0 113.032 -177.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.7 t70 74.87 126.6 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.239 0.616 . . . . 0.0 111.508 178.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -78.13 -15.62 58.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.455 -174.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -80.06 -30.32 39.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.689 0.28 . . . . 0.0 110.623 -177.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 107' ' ' GLY . 75.1 mt -62.89 -26.27 68.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.266 0.555 . . . . 0.0 110.34 176.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.428 ' O ' HD23 ' A' ' 112' ' ' LEU . 9.9 tt -75.15 -18.75 60.14 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.178 177.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -109.95 26.8 10.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.653 -171.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -78.14 -157.51 0.11 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 167.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.541 ' O ' HD13 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -128.13 158.88 36.8 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 172.701 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.468 HD21 ' HB2' ' A' ' 77' ' ' TRP . 29.9 tp -50.39 -45.39 55.45 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.088 0.243 . . . . 0.0 111.356 178.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.48 -7.27 36.57 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 178.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.424 ' HB2' ' H ' ' A' ' 115' ' ' GLU . 49.4 mt -107.8 -8.51 16.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.641 0.258 . . . . 0.0 110.628 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.541 HD13 ' O ' ' A' ' 115' ' ' GLU . 2.5 mp -79.75 97.13 6.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.495 0.664 . . . . 0.0 111.401 -173.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 20.7 t -90.89 154.91 3.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.842 174.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.0 p -62.93 171.67 2.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.738 0.304 . . . . 0.0 111.63 -178.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.386 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.132 -179.67 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.61 ' O ' ' HA ' ' A' ' 35' ' ' ASP . 50.2 mm . . . . . 0 CA--C 1.527 0.061 0 CA-C-O 121.661 0.743 . . . . 0.0 112.193 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.67 123.25 11.78 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.52 175.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -120.01 -173.24 2.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.942 -177.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -83.17 13.79 3.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.077 0.465 . . . . 0.0 110.22 174.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.582 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -75.96 119.42 19.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.953 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -86.27 137.88 32.28 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 171.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.523 ' HA ' ' O ' ' A' ' 60' ' ' ARG . 22.8 t -116.08 131.61 56.89 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.861 -172.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.574 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 51.5 mt-10 -107.87 126.51 52.75 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.744 176.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.541 HG21 ' HH2' ' A' ' 49' ' ' TRP . 70.8 mt -99.8 107.52 20.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 170.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.695 ' HG ' ' HB2' ' A' ' 58' ' ' GLU . 0.3 OUTLIER -117.46 163.49 16.3 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.169 -178.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -142.42 70.84 1.33 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.999 178.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.96 -68.6 2.25 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.292 -0.867 . . . . 0.0 113.282 -179.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.475 ' HG2' ' HG3' ' A' ' 27' ' ' ARG . 38.1 tt0 -89.21 -64.03 1.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -174.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.475 ' HG3' ' HG2' ' A' ' 26' ' ' GLU . 46.2 mtt85 -106.79 157.36 17.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.982 0.42 . . . . 0.0 111.796 -170.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.593 ' HG2' ' HB3' ' A' ' 23' ' ' LEU . 35.6 mtt-85 -129.45 132.55 46.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.21 -173.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 26.2 m-90 -130.93 117.71 19.63 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.574 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 0.5 OUTLIER -77.33 152.55 34.45 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.338 0.589 . . . . 0.0 110.798 -177.757 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.5 p -135.5 157.67 39.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.699 -172.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.4 mt -80.93 120.99 25.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.889 178.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.6 tp -73.75 134.24 43.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.775 175.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -120.75 -37.16 3.04 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.499 178.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.61 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 6.4 t70 -168.91 162.21 11.14 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 173.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.454 HG23 ' HB ' ' A' ' 41' ' ' ILE . 8.1 p -161.85 142.44 3.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.082 0.468 . . . . 0.0 110.743 -178.501 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.427 ' HB2' ' O ' ' A' ' 112' ' ' LEU . 69.9 p -134.33 -174.33 3.53 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.256 179.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.408 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 50.2 tp -79.06 -1.98 38.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.72 0.771 . . . . 0.0 109.979 176.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.58 ' ND1' ' HA ' ' A' ' 115' ' ' GLU . 5.4 m170 -105.5 -45.26 4.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.749 -175.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.484 ' HA3' HD13 ' A' ' 116' ' ' LEU . . . -164.82 168.63 39.15 Favored Glycine 0 N--CA 1.444 -0.832 0 CA-C-N 114.495 -1.23 . . . . 0.0 112.289 -178.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.454 ' HB ' HG23 ' A' ' 36' ' ' VAL . 13.4 tt -121.75 138.47 51.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.755 0.312 . . . . 0.0 110.465 -178.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.552 HD11 ' HB3' ' A' ' 82' ' ' LEU . 65.7 tp -112.84 111.22 21.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.178 0.514 . . . . 0.0 110.145 179.02 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.2 m -116.21 171.21 5.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.755 -179.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.466 ' HA2' ' O ' ' A' ' 81' ' ' GLY . . . -131.07 118.51 2.43 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.461 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -108.05 154.07 41.39 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 178.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -60.6 -64.67 0.09 OUTLIER 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.698 2.265 . . . . 0.0 112.262 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -164.79 -46.07 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -67.74 146.21 53.98 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -172.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.76 ' HA ' ' HE3' ' A' ' 49' ' ' TRP . 0.0 OUTLIER -151.68 -170.42 3.65 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.186 -178.365 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 . . . . . 0 CA--C 1.529 0.162 0 C-N-CA 121.183 -0.207 . . . . 0.0 111.087 -177.023 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 . . . . . 0 C--O 1.233 0.186 0 CA-C-O 121.368 0.604 . . . . 0.0 109.628 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 66.3 mtt85 -83.48 124.84 75.18 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.443 176.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.28 158.23 58.45 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 123.129 2.553 . . . . 0.0 112.788 -176.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.448 ' CD1' ' HE1' ' A' ' 85' ' ' PHE . 71.5 m-85 -133.0 160.99 35.54 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -175.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.695 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 34.0 mt-10 -116.16 130.92 57.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.952 179.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.444 ' HB2' HD13 ' A' ' 73' ' ' ILE . . . -119.22 127.94 53.74 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.856 0.36 . . . . 0.0 110.762 178.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.664 ' HG3' HD21 ' A' ' 23' ' ' LEU . 35.6 mtm180 -118.12 136.7 53.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.807 175.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.876 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 95.1 mt -116.38 120.08 37.7 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.961 -177.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.582 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 68.6 m-85 -86.75 90.91 8.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.394 175.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.603 ' HG ' HD22 ' A' ' 101' ' ' LEU . 10.9 mp -85.25 -29.56 24.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.398 0.618 . . . . 0.0 109.766 179.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -162.04 -172.02 28.9 Favored Glycine 0 N--CA 1.442 -0.955 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -73.86 -39.05 64.26 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.204 0.526 . . . . 0.0 109.613 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -97.75 -8.88 27.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.831 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.9 t -106.49 88.77 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.126 0.489 . . . . 0.0 110.904 -176.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 62.3 tp -104.45 111.57 24.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.57 175.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.876 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 49.1 mm -90.5 135.96 25.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.64 -177.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -119.84 144.72 47.21 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.3 ptm -155.23 127.94 8.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.484 0.659 . . . . 0.0 111.272 178.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.51 ' HB3' ' HB3' ' A' ' 89' ' ' HIS . 9.6 tp10 -78.27 123.11 26.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.378 176.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.786 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 28.0 pt -130.23 141.75 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.45 0.643 . . . . 0.0 112.454 -175.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.2 t -114.94 124.27 51.26 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 173.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 28.9 tp -66.13 106.72 1.71 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.061 0.458 . . . . 0.0 110.576 -176.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.59 -44.73 12.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.151 -175.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 60.4 p-90 -150.45 138.95 20.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.996 0.427 . . . . 0.0 111.028 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -134.12 113.15 11.75 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.906 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 79' ' ' ARG . 20.2 ttt180 -136.31 133.2 36.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.052 -178.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.5 t70 66.77 -80.12 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.375 0 O-C-N 124.11 0.881 . . . . 0.0 110.626 178.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.466 ' O ' ' HA2' ' A' ' 44' ' ' GLY . . . -152.63 -1.26 0.21 Allowed Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 175.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.552 ' HB3' HD11 ' A' ' 42' ' ' LEU . 97.5 mt -98.39 123.33 42.46 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.2 mp -117.65 120.55 38.35 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.39 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -97.54 108.9 3.72 Favored Glycine 0 N--CA 1.441 -0.995 0 N-CA-C 111.291 -0.723 . . . . 0.0 111.291 177.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.786 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 92.5 m-85 -96.35 125.02 40.56 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.804 0.335 . . . . 0.0 110.439 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -82.88 120.75 26.07 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 176.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.723 ' SG ' HG13 ' A' ' 90' ' ' ILE . 8.9 t -78.23 125.73 29.78 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.243 0.544 . . . . 0.0 110.381 -173.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.491 ' HB2' ' HG3' ' A' ' 72' ' ' GLU . 37.4 mt-30 -90.14 -34.67 15.78 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.714 -176.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.51 ' HB3' ' HB3' ' A' ' 72' ' ' GLU . 74.7 t60 -143.64 110.91 5.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.699 -177.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.723 HG13 ' SG ' ' A' ' 87' ' ' CYS . 0.7 OUTLIER -110.64 107.75 23.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 174.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.502 ' O ' HG13 ' A' ' 95' ' ' ILE . 12.6 m-20 -60.79 143.5 54.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.64 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.4 mp -60.16 -40.02 88.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.07 0.462 . . . . 0.0 110.376 -178.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -64.25 -41.13 97.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.205 177.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.46 ' OG ' HG23 ' A' ' 69' ' ' ILE . 47.4 t -58.07 -49.04 78.28 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.416 175.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 91' ' ' ASP . 59.8 mt -58.97 -44.96 92.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.614 178.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.521 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 4.9 t -60.19 -50.31 74.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.846 -177.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.51 ' HB2' HD11 ' A' ' 69' ' ' ILE . 79.3 m-70 -64.73 -35.24 80.41 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.553 0.216 . . . . 0.0 110.914 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.418 ' O ' HG23 ' A' ' 102' ' ' VAL . 55.5 tp -61.47 -48.7 79.91 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 178.044 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 35.4 ttt85 -63.94 -29.28 70.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.704 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.557 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 35.3 mmt180 -58.03 -51.71 68.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.664 0.269 . . . . 0.0 110.371 175.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.603 HD22 ' HG ' ' A' ' 63' ' ' LEU . 48.1 tp -64.69 -42.4 95.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.703 -179.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.841 HG21 HD11 ' A' ' 112' ' ' LEU . 96.2 t -60.49 -36.38 69.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.039 0.447 . . . . 0.0 110.642 178.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -70.32 -49.59 47.9 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.925 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 72.7 mt -67.29 -34.13 76.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.082 -178.37 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -90.43 -7.95 51.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.654 -176.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 86.5 mt 60.84 39.57 16.84 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.819 -179.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -84.94 7.76 73.2 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.68 -0.691 . . . . 0.0 114.244 -172.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.4 t70 70.23 119.14 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.466 0.65 . . . . 0.0 111.855 177.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -78.3 -21.17 50.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.592 -177.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -65.77 -38.42 88.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.36 . . . . 0.0 110.973 -177.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.46 ' HB2' HD11 ' A' ' 14' ' ' ILE . 96.9 mt -57.02 -30.93 64.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.226 177.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.841 HD11 HG21 ' A' ' 102' ' ' VAL . 75.4 mt -74.79 -16.09 60.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.43 -177.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -113.84 26.11 10.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.71 0.29 . . . . 0.0 111.259 -172.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -77.8 -99.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 174.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.58 ' HA ' ' ND1' ' A' ' 39' ' ' HIS . 0.2 OUTLIER -178.84 162.31 1.3 Allowed 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 176.226 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.484 HD13 ' HA3' ' A' ' 40' ' ' GLY . 52.1 tp -62.72 -42.4 99.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.101 0.477 . . . . 0.0 109.858 177.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.32 -6.42 49.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.464 175.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.448 HD12 ' HB2' ' A' ' 115' ' ' GLU . 82.5 mt -108.58 4.19 23.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.952 0.406 . . . . 0.0 110.449 177.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.538 HD13 ' O ' ' A' ' 115' ' ' GLU . 1.9 mp -100.09 102.86 14.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.243 0.544 . . . . 0.0 111.051 -177.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 20.7 t -97.92 154.93 3.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 174.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.5 p -61.6 171.93 1.38 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.634 -178.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.216 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.62 -179.019 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.4 HD12 HD21 ' A' ' 112' ' ' LEU . 48.3 mm . . . . . 0 N--CA 1.447 -0.6 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 165.99 98.38 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.793 1.237 . . . . 0.0 107.784 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -85.11 -13.62 49.68 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -166.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 t70 62.02 17.54 9.13 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 122.272 1.034 . . . . 0.0 109.714 -176.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.14 155.96 36.45 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.808 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.548 ' HB3' ' HB2' ' A' ' 62' ' ' TYR . 13.2 t70 -69.94 118.28 12.58 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 177.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 t -117.02 125.17 50.95 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.122 0.487 . . . . 0.0 110.894 -176.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -120.26 125.17 47.44 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 172.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.539 HG13 HG11 ' A' ' 31' ' ' VAL . 62.5 mt -102.5 130.77 51.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 171.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -138.12 170.94 15.16 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 120.982 0.42 . . . . 0.0 110.866 -177.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.422 ' NE2' ' HB2' ' A' ' 55' ' ' ARG . 30.7 tt0 -127.09 37.93 4.18 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 175.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.4 -55.69 4.85 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 114.739 -1.119 . . . . 0.0 113.087 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -83.33 -37.86 22.83 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -173.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -133.57 142.79 48.31 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 -178.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -119.15 147.03 44.64 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 123.517 0.511 . . . . 0.0 110.833 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.588 ' HH2' ' HB2' ' A' ' 50' ' ' ASN . 14.5 m-90 -128.61 131.26 48.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.25 178.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -69.88 108.18 3.87 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 172.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.574 HG23 ' HB2' ' A' ' 45' ' ' GLN . 11.0 p -105.33 152.36 7.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.859 -178.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 mp -92.31 114.47 27.02 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.797 0.332 . . . . 0.0 110.497 178.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.6 tp -68.1 147.99 51.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.175 177.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.443 ' HB2' ' O ' ' A' ' 42' ' ' LEU . 87.4 m-70 -139.27 -89.56 0.2 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.243 178.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -126.83 140.5 52.31 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -174.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.533 HG23 ' HB ' ' A' ' 41' ' ' ILE . 14.1 p -141.54 159.81 21.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 116.835 -0.166 . . . . 0.0 111.234 -171.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 89.2 p -159.94 -173.78 4.25 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.583 0.23 . . . . 0.0 110.64 177.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.4 mt -93.55 14.75 17.87 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.332 0.587 . . . . 0.0 110.323 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -139.83 18.91 2.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.49 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.614 ' HA3' HD13 ' A' ' 116' ' ' LEU . . . 144.72 163.84 10.25 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.328 -0.939 . . . . 0.0 112.532 177.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.533 ' HB ' HG23 ' A' ' 36' ' ' VAL . 9.4 tt -140.37 136.07 36.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -179.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.525 HD11 ' HB3' ' A' ' 82' ' ' LEU . 49.9 tp -115.0 113.37 24.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.035 0.445 . . . . 0.0 110.259 -178.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.0 m -127.58 175.93 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.03 -179.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 81' ' ' GLY . . . -124.95 125.35 5.66 Favored Glycine 0 N--CA 1.449 -0.433 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.705 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.604 ' HG2' ' H ' ' A' ' 47' ' ' GLN . 24.7 tt0 -140.06 118.74 8.61 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-O 120.57 0.224 . . . . 0.0 110.769 -177.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -86.49 6.61 5.33 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.896 2.397 . . . . 0.0 112.592 177.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.604 ' H ' ' HG2' ' A' ' 45' ' ' GLN . 49.0 mt-30 -104.03 170.39 7.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.558 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -97.98 -161.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.082 -177.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -114.53 172.15 7.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.987 0.422 . . . . 0.0 111.751 -178.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.588 ' HB2' ' HH2' ' A' ' 29' ' ' TRP . 10.4 t30 . . . . . 0 N--CA 1.463 0.202 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.575 -173.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 . . . . . 0 C--O 1.233 0.212 0 CA-C-O 121.212 0.529 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.422 ' HB2' ' NE2' ' A' ' 24' ' ' GLN . 65.6 mtp180 -91.03 147.59 36.09 Favored Pre-proline 0 N--CA 1.444 -0.741 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.829 177.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -51.72 146.69 26.65 Favored 'Trans proline' 0 C--O 1.239 0.537 0 C-N-CA 123.1 2.533 . . . . 0.0 112.844 177.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -117.88 138.24 52.25 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 173.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.508 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 2.9 mp0 -103.95 125.64 50.49 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.614 -177.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -105.73 113.99 27.89 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.7 177.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.496 ' CG ' HD11 ' A' ' 68' ' ' LEU . 40.8 ttm180 -116.06 119.09 34.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.552 -178.156 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 67.6 mt -107.73 119.1 38.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.547 -178.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.548 ' HB2' ' HB3' ' A' ' 19' ' ' ASP . 35.5 m-85 -94.08 117.39 30.04 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.511 178.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.558 HD11 HD22 ' A' ' 101' ' ' LEU . 71.0 mt -101.11 -19.85 15.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.698 0.761 . . . . 0.0 109.043 170.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -166.95 -158.97 11.81 Favored Glycine 0 N--CA 1.443 -0.884 0 N-CA-C 109.996 -1.241 . . . . 0.0 109.996 178.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 65' ' ' LEU . 4.1 tt -81.41 -35.41 30.74 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 117.638 0.719 . . . . 0.0 109.206 177.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -96.71 -45.61 6.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.26 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 32.5 t -70.9 98.12 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-O 121.248 0.547 . . . . 0.0 109.993 -177.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.496 HD11 ' CG ' ' A' ' 60' ' ' ARG . 33.9 tp -130.19 113.11 14.06 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.573 -174.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.476 ' N ' HD12 ' A' ' 69' ' ' ILE . 3.5 mp -94.27 107.94 20.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 177.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.788 ' H ' ' HD3' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -115.16 127.94 55.87 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.786 -179.688 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.1 ptm -136.94 154.27 50.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.597 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.579 ' HB3' ' HB3' ' A' ' 89' ' ' HIS . 34.7 tt0 -111.66 119.62 39.29 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -176.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.546 HG22 ' HA ' ' A' ' 87' ' ' CYS . 15.7 pt -123.22 161.46 24.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.4 -171.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 p -122.52 126.18 47.28 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.144 175.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 57.6 tp -63.44 122.07 15.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.968 0.413 . . . . 0.0 111.246 -177.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.482 ' HB2' ' HG2' ' A' ' 86' ' ' GLU . . . -95.33 -55.04 3.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 -178.24 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 66.1 p-90 -145.86 144.65 30.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.126 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -129.82 119.78 23.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.274 178.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.1 mmt85 -125.46 103.04 7.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.332 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 65.86 -84.09 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.404 175.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.416 ' O ' ' HA2' ' A' ' 44' ' ' GLY . . . -128.24 -5.34 5.18 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 121.161 -0.543 . . . . 0.0 112.334 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.525 ' HB3' HD11 ' A' ' 42' ' ' LEU . 98.8 mt -105.26 121.12 43.2 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.2 mp -119.07 128.94 54.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.659 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.96 119.13 5.81 Favored Glycine 0 N--CA 1.443 -0.891 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.428 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -106.82 138.41 43.05 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.482 ' HG2' ' HB2' ' A' ' 76' ' ' ALA . 6.0 mm-40 -82.73 127.73 33.7 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 173.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.777 ' HB2' HD11 ' A' ' 90' ' ' ILE . 6.8 p -71.77 102.57 2.87 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.222 178.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -86.23 -57.83 2.87 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.131 -173.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.579 ' HB3' ' HB3' ' A' ' 72' ' ' GLU . 50.5 t60 -126.24 101.37 6.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.193 0.52 . . . . 0.0 110.786 -176.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.777 HD11 ' HB2' ' A' ' 87' ' ' CYS . 1.9 mp -113.92 111.03 34.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 175.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -78.98 169.19 18.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.861 0.363 . . . . 0.0 110.559 -176.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.565 HD12 ' N ' ' A' ' 93' ' ' ASP . 1.3 pp -63.39 -32.59 74.07 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -174.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.565 ' N ' HD12 ' A' ' 92' ' ' LEU . 32.3 t70 -71.45 -35.53 70.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.238 0.542 . . . . 0.0 109.634 -178.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.5 t -67.33 -47.23 71.12 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.356 178.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 72.4 mt -60.59 -42.01 90.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.97 179.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.2 t -60.01 -52.07 66.96 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.475 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -61.92 -47.22 85.91 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.944 0.402 . . . . 0.0 110.513 178.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 47.0 tp -61.92 -56.05 23.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.975 -174.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 51.2 ttt-85 -66.14 -38.59 88.51 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.876 -0.329 . . . . 0.0 111.058 -173.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.46 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 56.1 mtt180 -68.51 -26.52 65.49 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.368 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.558 HD22 HD11 ' A' ' 63' ' ' LEU . 33.4 tp -68.27 -39.39 82.19 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 176.005 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.71 HG21 HD11 ' A' ' 112' ' ' LEU . 58.1 t -67.41 -40.11 83.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.021 173.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -62.43 -41.57 98.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.007 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 81.9 mt -62.64 -35.47 79.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.955 0.407 . . . . 0.0 111.335 178.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -93.42 2.71 56.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.103 -178.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.9 mt 55.99 38.12 29.61 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.588 0.555 . . . . 0.0 110.979 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -66.46 -27.75 73.3 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.943 -176.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.2 t70 71.35 150.55 0.1 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.217 0.607 . . . . 0.0 110.479 -176.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -87.12 -1.67 58.06 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.713 0.635 . . . . 0.0 112.713 -172.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -56.45 -43.55 79.61 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.465 0.65 . . . . 0.0 109.722 173.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 42.6 mt -62.98 -31.01 72.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.833 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.71 HD11 HG21 ' A' ' 102' ' ' VAL . 92.2 mt -94.58 1.64 55.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.972 -175.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -131.44 28.2 4.67 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -175.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 25.0 mtt180 -78.44 -95.83 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 173.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.531 ' HB2' HD12 ' A' ' 118' ' ' LEU . 3.4 mm-40 -174.41 168.4 3.89 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 172.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.614 HD13 ' HA3' ' A' ' 40' ' ' GLY . 67.2 tp -64.88 -49.93 68.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 118.23 0.468 . . . . 0.0 110.094 178.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.65 -18.87 65.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.742 176.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.531 HD12 ' HB2' ' A' ' 115' ' ' GLU . 97.0 mt -95.33 1.81 54.5 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.912 0.386 . . . . 0.0 110.639 178.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 119' ' ' LEU . 2.2 tp -98.07 108.62 21.37 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.186 0.517 . . . . 0.0 110.394 -176.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 30.8 m -88.02 171.99 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.754 177.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 98.0 p -100.91 171.68 7.5 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.869 0.366 . . . . 0.0 110.509 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 179.874 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 p -165.32 147.17 7.63 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.598 177.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -86.18 -57.96 2.82 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 177.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -63.61 106.91 1.04 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.877 0.846 . . . . 0.0 110.717 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -145.21 -29.52 0.44 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.502 -1.226 . . . . 0.0 109.734 -174.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -114.66 156.36 24.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.074 -177.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -77.8 -36.13 50.65 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 173.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.8 mmt85 -81.99 -178.38 6.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.535 -1.211 . . . . 0.0 109.184 173.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -104.67 127.49 52.45 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 168.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.664 ' HD3' ' H ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -56.61 144.12 33.22 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 178.51 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -51.38 108.87 0.29 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 123.71 0.632 . . . . 0.0 111.989 -173.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -95.56 22.31 7.24 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 175.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -135.72 144.07 45.69 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.194 -1.366 . . . . 0.0 107.851 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.635 ' O ' ' HA ' ' A' ' 35' ' ' ASP . 35.9 mm -85.09 89.36 2.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 C-N-CA 119.736 -0.786 . . . . 0.0 110.53 -175.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -160.7 103.94 1.37 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.243 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -107.44 161.95 14.37 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.546 -174.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -83.63 81.35 8.78 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 174.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.36 144.76 46.8 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.459 -176.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.55 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 18.7 m-20 -71.1 110.06 5.55 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 176.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.477 ' HB3' ' O ' ' A' ' 31' ' ' VAL . 22.6 t -101.12 108.23 19.86 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.253 -178.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.57 ' OE2' ' HD2' ' A' ' 28' ' ' ARG . 38.1 mt-10 -109.85 119.7 40.16 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.818 175.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.596 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 71.3 mt -101.22 111.53 31.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 170.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.525 HD23 ' H ' ' A' ' 23' ' ' LEU . 2.2 pt? -127.92 171.48 11.77 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.839 -173.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -141.28 78.81 1.66 Allowed 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 174.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.79 -84.32 0.04 OUTLIER Glycine 0 CA--C 1.521 0.411 0 CA-C-N 115.105 -0.952 . . . . 0.0 113.371 -177.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -85.97 -30.13 23.0 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 123.172 0.589 . . . . 0.0 111.938 -173.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -106.65 123.92 48.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.742 -0.208 . . . . 0.0 110.94 -171.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.57 ' HD2' ' OE2' ' A' ' 21' ' ' GLU . 8.9 ttp180 -112.92 134.88 54.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.723 -0.217 . . . . 0.0 110.966 -178.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 6.8 m-90 -129.62 108.34 10.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.192 0.52 . . . . 0.0 110.525 172.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -72.47 128.79 36.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.773 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.477 ' O ' ' HB3' ' A' ' 20' ' ' SER . 11.6 p -137.71 160.76 33.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.786 0.327 . . . . 0.0 111.198 -173.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.402 ' N ' HG22 ' A' ' 31' ' ' VAL . 8.1 mp -96.36 129.4 43.7 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.328 176.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.5 tt -81.64 138.04 35.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.084 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -111.51 -42.7 3.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.642 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.635 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 13.4 t70 -165.14 139.23 4.87 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 172.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.541 HG23 ' HB ' ' A' ' 41' ' ' ILE . 7.5 p -132.72 141.7 44.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.936 0.398 . . . . 0.0 110.356 -179.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.7 p -145.48 -169.78 3.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.938 0.399 . . . . 0.0 111.344 -175.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.3 mt -84.65 -12.3 54.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.154 -174.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.454 ' HE1' HD13 ' A' ' 119' ' ' LEU . 10.5 p80 -107.96 -19.58 13.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.496 -177.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 176.49 -178.15 47.86 Favored Glycine 0 N--CA 1.443 -0.855 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.285 -175.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.541 ' HB ' HG23 ' A' ' 36' ' ' VAL . 8.5 tt -148.65 133.21 9.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 120.814 0.34 . . . . 0.0 110.218 -177.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.618 HD11 ' HB3' ' A' ' 82' ' ' LEU . 55.4 tp -108.61 114.46 28.3 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.034 0.445 . . . . 0.0 110.245 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.8 m -113.49 167.72 6.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.208 176.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -124.94 113.63 2.0 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.617 -0.801 . . . . 0.0 111.395 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.576 ' HG3' HD13 ' A' ' 83' ' ' LEU . 21.1 mt-30 -108.89 113.64 59.26 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-O 120.945 0.403 . . . . 0.0 110.695 -178.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -78.07 12.33 2.05 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 123.221 2.614 . . . . 0.0 111.461 174.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -148.62 127.34 12.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.173 -0.922 . . . . 0.0 108.791 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -89.14 133.63 34.32 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.877 0.37 . . . . 0.0 110.71 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.412 ' HH2' HG21 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -89.73 -111.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.23 179.789 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.487 ' ND2' ' HB2' ' A' ' 52' ' ' ASP . 5.3 t30 -95.06 -65.71 0.96 Allowed 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 174.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.33 63.81 0.9 Allowed Glycine 0 CA--C 1.5 -0.851 0 C-N-CA 120.053 -1.07 . . . . 0.0 110.614 176.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.595 ' OD1' ' HB2' ' A' ' 54' ' ' GLN . 15.9 t70 -133.44 109.91 12.45 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.184 -0.508 . . . . 0.0 109.803 -175.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -66.94 -9.9 26.57 Favored 'Trans proline' 0 CA--C 1.529 0.273 0 C-N-CA 123.251 2.634 . . . . 0.0 112.833 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.595 ' HB2' ' OD1' ' A' ' 52' ' ' ASP . 2.4 mp0 -84.42 -13.71 51.38 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.41 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 45.1 mtt180 -97.25 110.68 55.45 Favored Pre-proline 0 N--CA 1.449 -0.509 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.843 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 55' ' ' ARG . 41.7 Cg_endo -69.74 143.6 51.42 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.599 2.199 . . . . 0.0 111.449 176.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -121.76 152.83 39.03 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.05 0.453 . . . . 0.0 111.016 -174.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.596 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 36.8 mt-10 -106.19 128.15 53.72 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.502 ' HB3' ' HG3' ' A' ' 71' ' ' MET . . . -109.41 107.92 18.26 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 177.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.484 ' HG2' HD11 ' A' ' 68' ' ' LEU . 33.7 ttm180 -109.99 115.4 29.7 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.884 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.649 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 67.6 mt -106.67 106.99 17.78 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.591 -176.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.55 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 28.2 m-85 -85.41 95.07 9.14 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 176.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 22.2 tp -78.93 -23.54 44.59 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 177.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -169.14 167.59 40.59 Favored Glycine 0 N--CA 1.436 -1.357 0 CA-C-N 113.646 -1.616 . . . . 0.0 109.335 172.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.5 mt -56.91 -41.57 78.38 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 117.63 0.715 . . . . 0.0 110.73 178.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -94.08 -8.2 40.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.48 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 32.8 t -114.46 92.99 2.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-O 121.045 0.45 . . . . 0.0 110.159 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.484 HD11 ' HG2' ' A' ' 60' ' ' ARG . 49.8 tp -109.94 122.97 48.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.277 -176.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.649 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 58.1 mt -103.53 132.56 49.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 173.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -135.17 143.65 46.59 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.761 0.315 . . . . 0.0 111.155 -175.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.502 ' HG3' ' HB3' ' A' ' 59' ' ' ALA . 17.9 ptm -158.58 128.21 5.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.225 -178.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -85.21 125.36 32.8 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.754 175.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.535 HG22 ' HA ' ' A' ' 87' ' ' CYS . 22.7 pt -132.47 172.32 16.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.732 -175.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.4 m -132.23 146.75 52.22 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.188 172.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 63.0 tp -69.41 112.77 6.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.406 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.13 -49.74 7.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.454 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 65.9 p-90 -156.0 141.24 17.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.928 0.394 . . . . 0.0 111.549 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -120.39 122.18 40.18 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 172.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -150.83 113.48 4.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.694 0.283 . . . . 0.0 111.683 -172.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 66.05 26.45 10.78 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.347 173.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.58 -11.44 68.45 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.321 -0.943 . . . . 0.0 112.132 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.618 ' HB3' HD11 ' A' ' 42' ' ' LEU . 74.8 mt -96.74 122.33 39.57 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.576 HD13 ' HG3' ' A' ' 45' ' ' GLN . 5.5 mp -115.35 114.52 25.24 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.068 0.461 . . . . 0.0 110.361 -179.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -98.9 114.88 5.15 Favored Glycine 0 N--CA 1.441 -0.984 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.215 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -99.49 152.77 19.62 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -103.73 135.09 45.94 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 176.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.535 ' HA ' HG22 ' A' ' 73' ' ' ILE . 74.8 m -76.2 132.83 40.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.946 -177.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -112.03 -53.6 2.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.508 177.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -139.31 98.25 3.47 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 -176.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 32.9 mt -97.76 124.55 50.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 172.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.423 ' O ' ' HB3' ' A' ' 94' ' ' SER . 28.9 t70 -60.99 147.24 44.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.748 0.309 . . . . 0.0 111.115 -176.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.63 -45.09 92.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.241 -177.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -69.39 -35.94 76.28 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.423 ' HB3' ' O ' ' A' ' 91' ' ' ASP . 32.4 t -57.54 -50.96 71.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.417 174.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 80.3 mt -60.01 -39.5 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-O 121.002 0.43 . . . . 0.0 110.332 176.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 53.9 m -59.02 -39.28 81.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.884 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -70.73 -47.39 59.96 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.888 0.375 . . . . 0.0 110.394 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.418 ' O ' HG23 ' A' ' 102' ' ' VAL . 57.1 tp -58.44 -53.55 57.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.379 -176.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 99' ' ' ARG . 32.2 ttm180 -66.35 -36.94 84.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 -177.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.46 HH11 ' HD2' ' A' ' 100' ' ' ARG . 10.1 tpp85 -63.26 -39.24 94.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.867 177.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.2 tp -65.59 -42.05 92.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.747 0.308 . . . . 0.0 110.678 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 98' ' ' LEU . 64.3 t -63.47 -44.76 98.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.371 . . . . 0.0 110.373 177.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -59.71 -46.27 89.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.614 177.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.3 tt -57.44 -45.9 84.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.756 -177.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -80.58 -16.01 55.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.154 -177.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.592 ' HB3' HH21 ' A' ' 10' ' ' ARG . 29.5 tp 59.15 52.93 5.76 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.995 0.902 . . . . 0.0 109.203 -171.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' A' ' 108' ' ' ASP . . . -90.1 -0.4 77.49 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 114.948 -1.024 . . . . 0.0 112.358 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 107' ' ' GLY . 1.3 m-20 72.12 120.47 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.604 0.716 . . . . 0.0 111.507 -178.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 113' ' ' GLU . 1.5 mp0 -65.69 -8.96 23.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.277 176.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -50.58 -36.52 35.16 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.277 174.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.599 HD22 HH21 ' A' ' 114' ' ' ARG . 72.3 mt -63.33 -32.18 73.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.328 0.585 . . . . 0.0 111.07 -178.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.4 mt -79.84 -14.62 58.53 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.751 -177.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 72.4 mt-10 -102.0 12.52 36.75 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -170.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.684 ' HB2' HD11 ' A' ' 119' ' ' LEU . 14.8 mtt85 -76.23 -162.67 0.25 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.067 0.461 . . . . 0.0 109.929 175.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.436 ' O ' HD13 ' A' ' 119' ' ' LEU . 1.5 tm-20 -123.31 148.2 46.22 Favored 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 173.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 61.6 tp -53.42 -38.26 63.31 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 118.246 0.475 . . . . 0.0 112.061 -174.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.52 -16.85 64.45 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.846 0.355 . . . . 0.0 111.53 177.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 79.2 mt -89.96 -15.23 32.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.715 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.684 HD11 ' HB2' ' A' ' 114' ' ' ARG . 10.8 mp -86.42 104.79 16.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.53 0.681 . . . . 0.0 111.077 -177.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 121' ' ' SER . 15.0 t -113.55 166.38 7.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.042 -178.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.45 ' N ' HG12 ' A' ' 120' ' ' VAL . 21.1 p -69.28 171.63 8.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.76 0.314 . . . . 0.0 111.118 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -58.8 -27.27 64.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.42 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -106.36 133.64 50.74 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 173.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -121.55 137.47 54.72 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.002 0.429 . . . . 0.0 109.95 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--O 1.245 0.816 0 CA-C-O 118.661 -0.685 . . . . 0.0 110.001 -177.963 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.0 mtp . . . . . 0 N--CA 1.482 1.175 0 CA-C-O 120.846 0.355 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 p -89.51 17.81 5.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.465 0.65 . . . . 0.0 110.089 174.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -69.1 118.75 12.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.131 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -76.05 -61.4 1.95 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.918 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -137.94 89.46 2.4 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 174.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -80.03 114.17 18.74 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.949 -177.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.37 -8.32 56.75 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.422 176.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 68.0 123.8 0.03 OUTLIER 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.737 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -62.1 124.08 19.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.117 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 58.6 mtt180 -93.54 168.55 10.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.993 -175.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -87.39 129.96 34.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.296 -178.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -72.19 120.62 18.05 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.108 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -65.28 168.48 6.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.24 175.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.52 HG23 ' O ' ' A' ' 14' ' ' ILE . 17.8 tt -77.46 89.44 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-O 122.823 1.297 . . . . 0.0 109.73 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.9 101.48 4.31 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.3 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -76.8 167.13 22.36 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.064 -178.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -80.19 46.71 0.84 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 171.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -97.13 144.22 27.19 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.623 -1.172 . . . . 0.0 110.522 -173.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.545 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 20.9 m-20 -91.45 118.37 30.5 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 175.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.5 t -107.31 115.15 29.65 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.502 -176.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.79 ' HG2' ' HG3' ' A' ' 30' ' ' GLU . 56.2 mt-10 -106.21 129.58 54.23 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.224 176.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.429 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 76.9 mt -96.81 115.4 36.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 173.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.525 ' HB2' ' HB2' ' A' ' 58' ' ' GLU . 6.9 mt -101.85 135.81 42.75 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.186 -174.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -116.76 77.28 1.1 Allowed 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 171.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.36 -73.89 1.54 Allowed Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.127 -177.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -119.34 -36.03 3.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.811 0.339 . . . . 0.0 111.423 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -90.12 130.34 36.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.64 -172.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.0 ptt85 -112.35 140.35 47.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.664 -177.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 16.8 m-90 -124.89 111.05 15.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.305 174.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.79 ' HG3' ' HG2' ' A' ' 21' ' ' GLU . 4.1 mp0 -67.36 121.07 14.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.117 0.484 . . . . 0.0 110.342 174.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.6 p -116.61 161.69 15.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.249 -175.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 mp -90.5 118.83 30.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.709 0.29 . . . . 0.0 110.701 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.477 HD11 ' HB ' ' A' ' 36' ' ' VAL . 65.8 tp -71.04 146.21 49.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.403 176.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -128.88 -44.12 1.33 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.718 176.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.419 ' CG ' HH22 ' A' ' 114' ' ' ARG . 10.1 t70 -153.13 138.66 17.72 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 177.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.477 ' HB ' HD11 ' A' ' 33' ' ' LEU . 8.7 p -137.85 140.69 40.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.519 ' OG ' ' HA ' ' A' ' 112' ' ' LEU . 5.6 t -151.41 -169.82 3.48 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 120.424 -0.51 . . . . 0.0 111.342 -174.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.9 tp -90.28 10.89 23.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.946 0.879 . . . . 0.0 110.657 -171.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -138.88 19.13 2.65 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.606 -176.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.88 -163.88 25.84 Favored Glycine 0 N--CA 1.442 -0.964 0 C-N-CA 120.233 -0.984 . . . . 0.0 112.805 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.0 tt -157.58 139.2 5.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 120.617 0.246 . . . . 0.0 110.403 -174.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.702 HD11 ' HB3' ' A' ' 82' ' ' LEU . 39.5 tp -115.05 118.22 32.78 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.519 -178.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.45 HG12 ' HA ' ' A' ' 33' ' ' LEU . 30.5 m -127.23 169.98 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.794 0.33 . . . . 0.0 111.243 -178.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -113.9 107.12 1.84 Allowed Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 176.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.678 ' HB3' HD12 ' A' ' 83' ' ' LEU . 24.5 tp60 -123.53 111.66 29.69 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 120.646 0.26 . . . . 0.0 111.344 -172.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.466 ' HD2' HE21 ' A' ' 45' ' ' GLN . 3.1 Cg_exo -77.59 47.42 2.29 Favored 'Trans proline' 0 CA--C 1.532 0.402 0 C-N-CA 123.402 2.735 . . . . 0.0 112.009 175.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -135.56 128.39 31.16 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -176.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.402 ' O ' ' HB2' ' A' ' 49' ' ' TRP . 44.3 m-20 -77.35 19.22 0.35 Allowed 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.814 -176.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.549 ' CZ2' HD13 ' A' ' 83' ' ' LEU . 37.5 m95 70.48 145.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 123.433 0.693 . . . . 0.0 111.406 -176.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -67.3 -26.68 66.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.491 -175.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.84 -79.09 0.06 OUTLIER Glycine 0 N--CA 1.442 -0.902 0 C-N-CA 120.158 -1.02 . . . . 0.0 112.179 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.645 ' OD2' ' HG3' ' A' ' 54' ' ' GLN . 1.4 p30 -153.08 155.87 32.28 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 -175.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -85.54 41.19 0.86 Allowed 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 123.068 2.512 . . . . 0.0 113.881 -175.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.645 ' HG3' ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -127.31 3.89 6.33 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-O 122.632 1.206 . . . . 0.0 108.087 176.027 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.9 ttm105 -100.19 137.34 20.02 Favored Pre-proline 0 N--CA 1.434 -1.233 0 CA-C-N 113.112 -1.858 . . . . 0.0 110.17 -170.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.94 132.02 49.49 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.873 2.382 . . . . 0.0 112.378 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -116.03 152.28 33.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.599 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.525 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 39.9 mt-10 -116.92 135.97 53.31 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 121.193 -0.203 . . . . 0.0 110.724 -177.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -117.55 125.26 50.52 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.705 0.288 . . . . 0.0 110.628 178.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -124.15 112.7 17.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.919 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.737 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 64.7 mt -103.76 126.68 51.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.704 -175.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.545 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 67.0 m-85 -100.96 111.8 24.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.899 176.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -104.45 -26.0 12.58 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.247 0.546 . . . . 0.0 109.655 173.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -174.82 -168.25 35.23 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.3 mt -77.62 -30.47 52.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.102 0.477 . . . . 0.0 110.276 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -94.01 -32.01 14.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.215 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.9 t -94.61 92.21 3.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.204 -175.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.3 tp -116.46 119.71 36.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.45 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.737 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 66.7 mt -104.88 133.04 50.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.859 -177.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -129.11 142.08 51.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.17 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.43 ' HB3' HG23 ' A' ' 90' ' ' ILE . 21.4 ptm -154.71 134.52 12.89 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 120.809 0.337 . . . . 0.0 111.451 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -83.55 126.51 32.88 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.726 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 14.0 pt -136.61 148.1 27.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.334 0.588 . . . . 0.0 112.325 -174.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 54.7 p -121.22 130.56 53.75 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 172.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.4 tp -64.25 115.83 5.41 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.576 -178.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -118.95 -6.3 10.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.167 0.508 . . . . 0.0 110.398 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.808 ' HB2' HD21 ' A' ' 116' ' ' LEU . 0.3 OUTLIER -133.87 145.63 49.84 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-O 121.811 0.815 . . . . 0.0 109.579 -176.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -162.48 103.88 1.08 Allowed 'General case' 0 C--N 1.293 -1.867 0 CA-C-N 114.038 -1.437 . . . . 0.0 110.225 -177.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.631 ' HB2' ' CZ3' ' A' ' 77' ' ' TRP . 6.2 mmm180 -128.12 92.2 3.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.846 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.5 t70 65.95 -84.89 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.82 177.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -122.65 -5.49 8.38 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.85 -0.691 . . . . 0.0 111.652 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.796 ' HG ' ' HB3' ' A' ' 121' ' ' SER . 4.4 mm? -95.97 115.98 28.25 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.678 HD12 ' HB3' ' A' ' 45' ' ' GLN . 51.5 mt -109.25 128.62 55.21 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.522 -176.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.481 ' HA3' ' HB3' ' A' ' 77' ' ' TRP . . . -114.48 125.87 7.02 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.871 -177.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.726 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 55.9 m-85 -104.33 145.18 30.62 Favored 'General case' 0 C--N 1.314 -0.969 0 O-C-N 122.607 -0.349 . . . . 0.0 110.423 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -94.47 126.23 39.61 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 173.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.513 ' HA ' HG22 ' A' ' 73' ' ' ILE . 24.6 p -75.23 114.08 13.33 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.102 0.477 . . . . 0.0 110.737 -178.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -81.05 -37.42 29.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.475 177.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -160.66 119.33 2.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.681 176.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.43 HG23 ' HB3' ' A' ' 71' ' ' MET . 32.2 mt -102.78 132.9 47.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 172.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.491 ' O ' HG13 ' A' ' 95' ' ' ILE . 14.1 t70 -57.0 128.89 39.23 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 178.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.645 HD13 HD12 ' A' ' 95' ' ' ILE . 4.4 mm? -60.81 -35.93 77.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.056 -173.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -69.12 -41.37 77.48 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 178.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.539 ' HB3' HG23 ' A' ' 69' ' ' ILE . 20.9 m -60.81 -41.6 95.99 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.791 176.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.645 HD12 HD13 ' A' ' 92' ' ' LEU . 71.5 mt -58.83 -44.04 89.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 120.911 0.386 . . . . 0.0 110.596 176.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.3 t -58.82 -47.89 83.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.398 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -64.84 -38.97 92.77 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 110.562 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.514 ' O ' HG23 ' A' ' 102' ' ' VAL . 61.8 tp -59.08 -58.68 7.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.902 -179.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.464 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 77.4 ttt180 -67.0 -34.56 78.0 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.761 -176.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.454 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 12.7 tpp180 -62.32 -39.02 91.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.8 0.333 . . . . 0.0 110.5 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.4 tp -68.41 -34.92 76.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.161 177.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 98' ' ' LEU . 57.3 t -65.6 -43.42 94.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.134 176.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 99' ' ' ARG . 7.2 mm-40 -56.61 -46.59 80.81 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.599 176.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 95.1 mt -59.35 -34.27 72.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.482 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -94.13 5.07 52.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.648 -176.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.483 ' HA ' HD13 ' A' ' 106' ' ' LEU . 3.6 mm? 57.99 33.07 22.79 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.06 0.457 . . . . 0.0 111.269 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -76.49 106.02 2.1 Favored Glycine 0 N--CA 1.437 -1.274 0 C-N-CA 120.42 -0.895 . . . . 0.0 111.288 177.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.597 ' HB3' ' HG2' ' A' ' 110' ' ' GLU . 2.6 m-20 -36.05 117.59 0.47 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.271 0.558 . . . . 0.0 111.432 172.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -72.43 1.88 7.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.981 -172.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.597 ' HG2' ' HB3' ' A' ' 108' ' ' ASP . 8.2 mm-40 -57.38 -32.47 66.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.538 0.685 . . . . 0.0 109.561 176.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.474 HD13 ' HB ' ' A' ' 14' ' ' ILE . 86.9 mt -66.16 -23.34 66.45 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.094 -177.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.519 ' HA ' ' OG ' ' A' ' 37' ' ' SER . 97.5 mt -89.55 -20.11 24.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.753 -175.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -108.18 20.39 18.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.891 0.377 . . . . 0.0 111.445 -172.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.456 ' NE ' ' HA ' ' A' ' 111' ' ' LEU . 80.6 mtm180 -84.98 -169.42 2.64 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.546 ' O ' HD13 ' A' ' 119' ' ' LEU . 0.4 OUTLIER -115.6 154.82 28.75 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 172.642 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.808 HD21 ' HB2' ' A' ' 77' ' ' TRP . 25.3 tp -55.66 -34.77 65.29 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.11 0.413 . . . . 0.0 110.802 177.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.05 -18.91 62.16 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 111.836 175.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 90.4 mt -99.65 -4.34 31.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.853 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' ' 115' ' ' GLU . 8.8 mp -95.07 88.24 5.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.509 0.671 . . . . 0.0 110.058 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 121' ' ' SER . 11.5 t -93.86 168.06 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.409 -179.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.796 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 2.4 p -61.4 171.96 1.28 Allowed 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 122.892 0.477 . . . . 0.0 111.41 178.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -48.48 -38.72 20.82 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.144 0.497 . . . . 0.0 110.955 -177.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -124.14 154.86 39.42 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 168.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -94.98 -33.66 12.66 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 172.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 33.6 t70 . . . . . 0 C--O 1.251 1.161 0 CA-C-N 114.721 -1.127 . . . . 0.0 109.699 176.271 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.478 0.938 0 CA-C-O 120.928 0.395 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 t -97.13 80.51 2.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.625 0.726 . . . . 0.0 109.993 176.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -105.2 9.62 34.02 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.06 176.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -54.97 128.22 32.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.301 -175.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -120.62 -8.73 9.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.716 -175.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -83.77 89.97 7.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.281 0.562 . . . . 0.0 109.894 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.36 -42.73 12.65 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.545 174.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.461 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 38.9 ttm180 50.52 88.66 0.02 OUTLIER 'General case' 0 C--O 1.231 0.102 0 O-C-N 124.038 0.836 . . . . 0.0 110.547 178.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 9.2 ptm180 -70.84 -19.54 62.64 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.525 -172.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.461 ' HD2' ' O ' ' A' ' 8' ' ' ARG . 8.6 mpt_? 67.31 164.98 0.22 Allowed 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.636 0.731 . . . . 0.0 111.565 -177.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -102.92 105.15 15.45 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 168.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -78.21 -94.16 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.05 -170.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.573 ' HD3' ' HA ' ' A' ' 122' ' ' ALA . 77.3 mtp85 -149.15 -155.28 0.62 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 -173.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.649 HG21 HG12 ' A' ' 36' ' ' VAL . 34.0 mm -65.85 94.86 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.33 0.586 . . . . 0.0 111.141 -178.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -152.82 103.49 2.77 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.684 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -121.16 166.82 13.4 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.375 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -79.09 82.85 5.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.334 0.587 . . . . 0.0 111.366 -176.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.25 138.1 43.21 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.372 174.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.573 ' O ' ' HD2' ' A' ' 62' ' ' TYR . 37.0 t70 -73.65 114.53 12.02 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 p -107.82 113.58 26.91 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.288 0.566 . . . . 0.0 112.074 -174.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -119.7 131.33 55.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.349 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.443 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 72.2 mt -104.03 107.65 22.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 172.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.7 HD23 ' H ' ' A' ' 23' ' ' LEU . 2.0 pt? -112.41 152.14 29.01 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.253 0.549 . . . . 0.0 110.627 -177.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.565 ' OE1' ' HD3' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -125.83 17.19 8.0 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.701 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.76 -43.02 2.73 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.608 -174.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.605 ' HG3' ' ND2' ' A' ' 50' ' ' ASN . 2.3 mm-40 -61.81 -40.87 96.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.303 0.573 . . . . 0.0 110.154 176.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.1 ttt-85 -162.74 161.11 26.15 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.003 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.2 ptt180 -114.48 118.02 32.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 173.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 27.6 m-90 -97.03 123.33 40.73 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.892 -178.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -70.57 116.17 10.58 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 174.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 p -119.81 159.08 21.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -177.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 mp -103.97 131.34 51.3 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.464 178.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.521 HD11 ' HB ' ' A' ' 36' ' ' VAL . 64.0 tp -68.75 138.35 54.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.47 177.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.417 ' HB3' ' OG ' ' A' ' 121' ' ' SER . 31.9 m-70 -130.99 -37.27 1.29 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.598 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.505 ' HA ' ' HB ' ' A' ' 14' ' ' ILE . 56.3 t0 -170.15 111.2 0.42 Allowed 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.649 HG12 HG21 ' A' ' 14' ' ' ILE . 7.7 p -113.74 156.32 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 O-C-N 122.108 -0.37 . . . . 0.0 110.507 -177.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.475 ' OG ' ' HA ' ' A' ' 112' ' ' LEU . 3.3 t -157.05 -178.89 7.7 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 -177.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.461 ' HG ' ' HB3' ' A' ' 112' ' ' LEU . 92.1 mt -82.03 -2.46 51.78 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.266 0.555 . . . . 0.0 111.449 -176.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.697 ' HA ' ' SG ' ' A' ' 87' ' ' CYS . 13.5 p80 -121.03 21.41 11.32 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.242 -177.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' A' ' 85' ' ' PHE . . . 132.78 -159.57 23.52 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 119.916 -1.135 . . . . 0.0 112.339 178.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.53 HG12 HG13 ' A' ' 43' ' ' VAL . 15.9 tt -158.6 140.36 5.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.142 0.496 . . . . 0.0 111.183 -173.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.492 HD11 ' HB3' ' A' ' 82' ' ' LEU . 58.8 tp -111.39 114.27 27.3 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.293 175.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.53 HG13 HG12 ' A' ' 41' ' ' ILE . 14.4 m -126.57 170.35 16.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.519 -176.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.454 ' HA2' ' O ' ' A' ' 81' ' ' GLY . . . -111.55 103.8 1.6 Allowed Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 176.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.47 106.98 58.12 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -176.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -71.47 -30.18 15.54 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.948 2.432 . . . . 0.0 113.122 -176.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -90.65 175.61 6.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.209 0.528 . . . . 0.0 111.237 -174.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -98.55 163.82 12.51 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.97 177.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -88.58 176.12 7.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.191 0.52 . . . . 0.0 111.521 -174.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.605 ' ND2' ' HG3' ' A' ' 26' ' ' GLU . 23.4 p-10 -86.5 -44.16 12.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.088 -175.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.08 -86.2 0.12 Allowed Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.072 -1.061 . . . . 0.0 112.883 -178.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -130.84 154.89 82.02 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-O 120.631 0.253 . . . . 0.0 110.963 -172.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.409 ' HB3' HD23 ' A' ' 75' ' ' LEU . 93.4 Cg_endo -79.37 10.97 2.81 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.008 2.472 . . . . 0.0 113.475 -177.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -111.15 16.08 21.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.631 0.729 . . . . 0.0 110.265 178.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.565 ' HD3' ' OE1' ' A' ' 24' ' ' GLN . 45.9 mtt180 -87.57 139.06 31.52 Favored Pre-proline 0 N--CA 1.444 -0.757 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.178 171.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -58.98 107.36 0.34 Allowed 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.387 2.058 . . . . 0.0 111.954 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -95.52 135.36 37.28 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.443 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 44.8 mt-10 -113.12 119.42 37.76 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.791 0.329 . . . . 0.0 110.584 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.8 107.3 19.75 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.8 177.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -96.91 111.63 23.75 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.446 177.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.86 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 75.9 mt -99.96 99.92 10.74 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 175.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.573 ' HD2' ' O ' ' A' ' 19' ' ' ASP . 40.1 m-85 -79.73 94.63 5.78 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.1 tp -88.97 -29.99 19.12 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -155.36 -176.38 27.47 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.994 177.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.96 -45.58 81.22 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.0 0.4 . . . . 0.0 110.372 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.95 5.55 28.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.145 0.498 . . . . 0.0 110.633 177.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.0 t -105.77 84.25 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.1 tp -110.73 117.47 33.53 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.126 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.86 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 55.2 mt -94.24 92.34 3.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 175.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.533 ' HD3' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -105.36 123.51 47.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.608 0.718 . . . . 0.0 110.301 -178.263 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.405 ' HB2' HG12 ' A' ' 90' ' ' ILE . 20.0 ptm -127.67 121.18 29.73 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.767 -177.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.425 ' HG2' HE21 ' A' ' 88' ' ' GLN . 33.1 tt0 -78.27 119.09 21.14 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 176.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.522 HG22 ' HA ' ' A' ' 87' ' ' CYS . 11.6 pt -133.72 161.19 41.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.234 0.54 . . . . 0.0 112.057 -172.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.429 ' HB2' ' OE1' ' A' ' 88' ' ' GLN . 34.1 t -119.38 139.05 52.62 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.007 173.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.409 HD23 ' HB3' ' A' ' 53' ' ' PRO . 48.6 tp -77.38 114.6 16.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.991 0.424 . . . . 0.0 110.361 -177.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.89 -49.97 6.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.24 -176.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -149.95 151.28 33.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.27 0.557 . . . . 0.0 111.769 -177.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -132.47 114.98 14.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.023 176.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -122.58 118.25 27.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.707 -0.224 . . . . 0.0 110.528 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.6 t70 61.54 -86.44 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.902 0.751 . . . . 0.0 111.093 -178.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.454 ' O ' ' HA2' ' A' ' 44' ' ' GLY . . . -137.27 2.66 3.22 Favored Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 177.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.492 ' HB3' HD11 ' A' ' 42' ' ' LEU . 80.2 mt -103.81 118.8 37.55 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.6 mp -114.09 127.97 56.17 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.705 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.31 124.72 7.88 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.126 -178.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.507 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 49.4 m-85 -109.72 143.35 39.64 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -98.56 142.25 30.38 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 175.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.697 ' SG ' ' HA ' ' A' ' 39' ' ' HIS . 28.4 p -80.1 137.97 36.86 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.499 0.666 . . . . 0.0 111.568 -172.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.429 ' OE1' ' HB2' ' A' ' 74' ' ' SER . 24.2 mt-30 -112.25 -41.15 3.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.031 175.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -154.33 98.45 2.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.908 0.385 . . . . 0.0 111.195 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.405 HG12 ' HB2' ' A' ' 71' ' ' MET . 51.9 mt -93.55 112.32 26.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 167.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -65.47 148.23 52.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.64 -172.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 39.3 tp -56.63 -34.68 67.52 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.915 0.388 . . . . 0.0 110.536 -177.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -57.67 -55.05 39.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.02 174.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.402 ' HB3' HG23 ' A' ' 69' ' ' ILE . 18.6 m -63.58 -37.02 85.74 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.947 -179.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 72.6 mt -60.21 -46.61 94.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.601 175.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 90.5 p -63.87 -36.93 85.53 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.467 -178.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 -66.41 -51.05 60.98 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.842 0.353 . . . . 0.0 110.303 177.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.6 tp -63.57 -46.99 83.37 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.476 -175.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -57.82 -55.7 31.53 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.777 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 26.2 mtm180 -60.94 -33.9 73.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.999 -176.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 63.4 tp -60.82 -55.22 35.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.866 0.365 . . . . 0.0 110.983 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 61.4 t -69.31 -41.09 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.054 0.454 . . . . 0.0 110.875 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -68.61 -33.91 74.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.439 -175.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 72.0 mt -78.14 -12.53 60.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.69 0.281 . . . . 0.0 111.394 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -100.11 -10.65 21.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.868 177.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 82.5 mt 59.73 39.18 21.22 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.087 175.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -100.06 42.9 1.87 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.676 -177.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 68.16 115.19 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.567 0.698 . . . . 0.0 112.408 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -19.11 62.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.044 175.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' A' ' 114' ' ' ARG . 46.6 mt-10 -59.92 -25.52 65.21 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.994 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.472 ' HA ' ' NE ' ' A' ' 114' ' ' ARG . 84.2 mt -65.12 -20.61 66.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.042 0.449 . . . . 0.0 110.638 178.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.475 ' HA ' ' OG ' ' A' ' 37' ' ' SER . 89.5 mt -95.95 -10.21 29.25 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.783 0.325 . . . . 0.0 110.557 176.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -110.19 20.22 18.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.592 -172.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.472 ' NE ' ' HA ' ' A' ' 111' ' ' LEU . 70.2 mtm180 -90.75 -165.12 1.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.767 0.317 . . . . 0.0 110.488 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.474 ' O ' HD13 ' A' ' 119' ' ' LEU . 8.3 tp10 -123.54 149.03 45.74 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 174.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 61.7 tp -51.57 -40.28 59.46 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 118.119 0.418 . . . . 0.0 111.429 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.76 -28.2 65.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.87 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.459 ' HG ' ' HB3' ' A' ' 115' ' ' GLU . 71.8 mt -85.99 -18.16 33.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.21 -177.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.474 HD13 ' O ' ' A' ' 115' ' ' GLU . 8.2 mp -77.22 110.9 12.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.504 0.668 . . . . 0.0 111.882 -173.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 22.0 t -106.54 161.64 5.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.236 172.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.417 ' OG ' ' HB3' ' A' ' 34' ' ' HIS . 20.7 t -87.03 165.5 15.77 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.756 0.312 . . . . 0.0 111.143 -171.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.573 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . . . -56.77 -31.09 64.28 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 168.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -75.91 85.23 2.85 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 165.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -85.14 106.94 16.97 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 177.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.576 -0.726 . . . . 0.0 110.454 -172.315 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.6 m -86.19 121.7 29.15 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 171.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -78.71 83.55 4.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.605 0.716 . . . . 0.0 111.849 -171.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -119.86 103.17 9.12 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.741 -1.118 . . . . 0.0 108.354 172.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 39.1 p-80 -64.75 158.52 24.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.734 -174.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -62.02 134.67 56.92 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.443 ' HB2' ' H ' ' A' ' 8' ' ' ARG . 0.3 OUTLIER -97.34 -142.65 0.29 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -165.211 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.443 ' H ' ' HB2' ' A' ' 7' ' ' GLU . 58.5 mtp180 -89.86 0.99 56.71 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -163.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -85.03 111.87 20.11 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 174.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -73.48 -3.63 28.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.948 0.404 . . . . 0.0 111.063 -177.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -83.56 7.11 18.22 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.365 -177.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.603 ' HD2' ' HG2' ' A' ' 13' ' ' ARG . 9.4 p-80 -75.03 149.68 39.15 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.193 178.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.663 HH21 ' HB3' ' A' ' 124' ' ' ASP . 68.1 mmt-85 68.26 100.7 0.05 Allowed 'General case' 0 N--CA 1.471 0.591 0 O-C-N 123.866 0.729 . . . . 0.0 109.499 -173.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.403 ' H ' HG12 ' A' ' 14' ' ' ILE . 2.4 pt -87.21 89.49 3.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.546 0.689 . . . . 0.0 111.132 -178.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.48 79.07 1.88 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.375 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -71.11 140.94 50.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.666 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -80.96 90.83 5.97 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.446 -176.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.412 ' HB1' ' O ' ' A' ' 62' ' ' TYR . . . -135.51 163.25 30.52 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.87 177.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.526 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 5.2 m-20 -62.77 111.09 1.96 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 176.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.6 m -112.41 96.36 5.96 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.781 0.324 . . . . 0.0 110.269 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -102.66 129.7 49.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.514 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.516 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 1.9 mp -96.57 104.76 16.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 167.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.5 mt -95.09 132.29 40.15 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.327 -174.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -120.91 90.33 3.3 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 171.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.72 -73.4 1.21 Allowed Glycine 0 N--CA 1.445 -0.733 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.527 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -137.64 -14.89 1.42 Allowed 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -173.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.6 ttt180 -95.88 144.68 26.01 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.572 -175.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -99.76 140.15 34.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.393 -175.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 14.1 m-90 -127.67 92.43 3.48 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 165.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -83.93 112.26 19.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.984 0.421 . . . . 0.0 110.283 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.414 HG22 ' N ' ' A' ' 32' ' ' LEU . 9.7 p -125.12 161.22 29.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.133 -173.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 32' ' ' LEU . 5.7 mp -85.37 135.98 33.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.635 174.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.9 tp -70.31 144.32 51.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.974 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.599 ' HB2' ' O ' ' A' ' 42' ' ' LEU . 8.9 m170 -114.78 -54.62 2.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.348 176.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -162.13 135.25 6.09 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.6 p -127.78 142.16 44.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 55.9 p -149.68 -168.78 3.2 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 121.328 0.585 . . . . 0.0 112.371 -172.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 40.3 tp -85.98 1.29 50.74 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.001 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.543 ' HA ' ' SG ' ' A' ' 87' ' ' CYS . 1.8 p80 -127.96 13.75 6.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.87 -176.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.475 ' HA3' ' O ' ' A' ' 85' ' ' PHE . . . 133.72 -147.49 19.06 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 120.259 -0.972 . . . . 0.0 112.275 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.0 tt -161.28 146.91 4.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.849 0.357 . . . . 0.0 110.692 -172.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.599 ' O ' ' HB2' ' A' ' 34' ' ' HIS . 51.4 tp -114.05 126.5 55.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.768 176.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.8 m -125.71 179.35 3.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.801 0.334 . . . . 0.0 110.558 178.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -142.12 91.83 0.18 Allowed Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -95.4 126.97 43.84 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.944 0.402 . . . . 0.0 111.807 -173.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -78.74 -10.9 15.55 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 123.004 2.47 . . . . 0.0 111.548 174.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -107.7 135.86 48.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.871 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -71.22 172.18 9.75 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.396 0.617 . . . . 0.0 111.39 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.492 ' CZ2' HD13 ' A' ' 83' ' ' LEU . 45.6 m95 -78.03 178.1 7.77 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -170.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.53 -40.29 94.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.636 -1.166 . . . . 0.0 111.627 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 169.74 -59.15 0.19 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.68 -0.771 . . . . 0.0 111.747 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -135.83 151.32 73.86 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 178.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -81.37 28.68 0.55 Allowed 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.838 2.359 . . . . 0.0 113.297 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -97.3 -20.63 17.73 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 178.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.41 122.62 87.04 Favored Pre-proline 0 N--CA 1.44 -0.967 0 CA-C-N 113.425 -1.716 . . . . 0.0 110.274 174.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.67 140.47 62.28 Favored 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.554 2.169 . . . . 0.0 112.022 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -110.06 145.59 36.83 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.516 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 33.1 tt0 -118.68 123.59 45.28 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 174.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.401 ' HB3' ' CG ' ' A' ' 71' ' ' MET . . . -96.7 106.73 19.07 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 174.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.8 ttt85 -104.54 112.56 25.68 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.562 -175.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.618 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 77.2 mt -99.84 120.57 39.96 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.527 -176.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.526 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 9.8 m-85 -92.68 98.53 11.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.101 -178.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -95.08 -1.36 52.29 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.384 0.611 . . . . 0.0 109.503 175.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.88 -174.15 46.84 Favored Glycine 0 N--CA 1.441 -1.004 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.924 177.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -75.29 -38.66 60.24 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -94.55 -22.33 18.29 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.998 -176.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 55.2 t -99.96 104.86 16.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.57 -174.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -116.96 126.78 53.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.355 174.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.618 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 59.0 mt -99.38 104.03 15.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 172.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -104.28 136.22 44.28 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.142 0.496 . . . . 0.0 110.208 -178.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.401 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 14.7 ptp -134.13 112.06 10.82 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.138 173.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.52 ' HB3' ' HB3' ' A' ' 89' ' ' HIS . 10.6 tt0 -76.39 109.46 10.12 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 175.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.693 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 3.3 pt -123.68 151.28 28.32 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-O 121.498 0.666 . . . . 0.0 112.393 -166.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.3 m -108.55 120.4 42.33 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.695 176.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.7 tp -73.53 105.64 4.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.954 0.407 . . . . 0.0 110.328 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -112.11 -2.68 14.92 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.25 0.548 . . . . 0.0 109.724 175.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.408 ' HB2' HD21 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -123.05 141.97 51.38 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-O 122.248 1.023 . . . . 0.0 110.101 -177.147 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -162.27 107.35 1.21 Allowed 'General case' 0 C--N 1.286 -2.154 0 CA-C-N 113.25 -1.796 . . . . 0.0 110.039 -177.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -126.18 81.12 1.97 Allowed 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.067 -175.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.2 t70 62.51 -81.34 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.729 0.643 . . . . 0.0 111.796 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -119.19 -12.75 6.75 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.085 -0.578 . . . . 0.0 111.855 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.401 ' HB3' HD11 ' A' ' 42' ' ' LEU . 98.5 mt -89.48 115.04 26.61 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.492 HD13 ' CZ2' ' A' ' 49' ' ' TRP . 45.4 mt -107.81 126.13 52.26 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.416 -175.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -119.26 137.02 12.3 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.352 -176.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.693 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 29.6 m-85 -118.63 143.85 46.54 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 122.771 -0.252 . . . . 0.0 110.521 -178.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -94.91 142.67 27.2 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 171.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.543 ' SG ' ' HA ' ' A' ' 39' ' ' HIS . 9.0 p -72.61 114.75 11.08 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.244 0.545 . . . . 0.0 111.003 -177.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.414 ' HB3' ' O ' ' A' ' 72' ' ' GLU . 9.9 tt0 -96.44 -43.33 7.68 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.027 178.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.52 ' HB3' ' HB3' ' A' ' 72' ' ' GLU . 2.4 t-160 -150.0 98.97 2.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.944 176.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 46.5 mt -102.43 114.68 42.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 169.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -63.76 145.13 56.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.964 -176.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.7 mt -55.68 -37.64 68.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.788 -176.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -56.41 -52.4 64.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.626 175.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.532 ' HB3' HG23 ' A' ' 69' ' ' ILE . 60.0 m -63.9 -34.22 77.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.059 -178.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 72.5 mt -63.02 -44.38 99.59 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.087 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 175.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.1 m -62.52 -38.03 88.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.053 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -67.97 -44.65 76.22 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 177.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.79 -46.03 91.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.229 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -53.21 -48.99 67.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.87 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 19.3 tpp85 -68.63 -43.6 75.98 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.7 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 44.4 tp -57.45 -52.24 66.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.751 -177.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 95.3 t -61.62 -52.55 59.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.997 0.427 . . . . 0.0 110.901 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.88 -36.79 77.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.097 -177.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 44.5 tp -68.99 -32.77 72.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.188 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -96.43 10.61 37.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.317 -178.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 23.5 tp 68.04 27.99 6.86 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.48 0.657 . . . . 0.0 110.457 176.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -68.91 104.49 1.26 Allowed Glycine 0 N--CA 1.438 -1.232 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.575 176.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -42.48 119.42 1.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.058 0.456 . . . . 0.0 110.728 172.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.43 -22.21 66.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.435 -170.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 114' ' ' ARG . 92.4 mt-10 -65.41 -22.11 66.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.839 0.352 . . . . 0.0 110.555 -178.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 98.7 mt -63.26 -33.9 76.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.076 175.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.2 mt -79.84 -23.62 41.87 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.73 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -97.26 12.1 34.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.903 -170.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.425 ' HB3' ' HB2' ' A' ' 118' ' ' LEU . 84.8 mtm180 -82.01 -169.24 2.28 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 175.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.553 ' O ' HD13 ' A' ' 119' ' ' LEU . 0.4 OUTLIER -111.42 156.76 21.13 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 173.36 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.408 HD21 ' HB2' ' A' ' 77' ' ' TRP . 22.8 tp -53.32 -38.55 63.29 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 118.321 0.51 . . . . 0.0 110.844 176.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.54 -12.55 61.42 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 120.691 0.281 . . . . 0.0 111.721 176.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.425 ' HB2' ' HB3' ' A' ' 114' ' ' ARG . 86.4 mt -102.72 -5.69 23.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.803 0.335 . . . . 0.0 110.886 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 115' ' ' GLU . 7.2 mp -86.4 94.66 9.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.317 0.58 . . . . 0.0 110.328 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 26.1 t -88.42 144.84 8.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.367 -178.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 59.0 p -66.42 172.01 4.42 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.378 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -46.49 -43.47 16.82 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.754 178.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -89.47 97.69 11.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.421 0.629 . . . . 0.0 110.199 175.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.663 ' HB3' HH21 ' A' ' 13' ' ' ARG . 9.0 p-10 -94.66 124.97 39.01 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.588 -178.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.0 t70 . . . . . 0 C--O 1.247 0.954 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.661 178.891 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 m -49.97 -53.75 24.4 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 123.384 0.427 . . . . 0.0 112.053 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -141.89 151.54 42.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.617 0.246 . . . . 0.0 110.486 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.572 ' NE2' ' H ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -148.95 -57.65 0.21 Allowed 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -175.421 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.572 ' H ' ' NE2' ' A' ' 4' ' ' GLN . 85.8 m-70 53.24 -122.33 2.01 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -173.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -172.21 176.09 3.52 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 174.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -70.21 -15.44 62.93 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -173.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.41 ' HD2' ' N ' ' A' ' 8' ' ' ARG . 9.2 mpt_? -87.09 67.56 9.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.056 0.455 . . . . 0.0 110.401 -177.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -77.84 -5.78 52.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.189 0.519 . . . . 0.0 110.668 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -137.63 126.32 23.81 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 175.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -90.52 114.51 26.73 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.025 0.44 . . . . 0.0 110.707 -177.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.55 ' O ' HD11 ' A' ' 111' ' ' LEU . 51.0 t-80 -85.35 113.49 21.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.2 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -82.73 163.5 21.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.93 0.395 . . . . 0.0 111.467 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.517 HG21 HG13 ' A' ' 102' ' ' VAL . 8.6 pt -108.48 89.63 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.832 175.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.06 106.13 11.69 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.91 0.386 . . . . 0.0 110.825 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -106.92 125.26 50.78 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.271 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -78.43 100.44 6.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.424 -176.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -133.62 165.02 25.89 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.894 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -71.55 113.11 8.24 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.3 t -115.78 111.71 20.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.879 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.457 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 28.4 mt-10 -107.8 123.17 48.16 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.744 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.501 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 68.7 mt -97.49 119.16 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 171.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.676 HD21 HH11 ' A' ' 60' ' ' ARG . 1.8 pt? -141.69 160.82 39.4 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.423 0.63 . . . . 0.0 111.791 -174.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -130.69 77.96 1.81 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.6 -1.182 . . . . 0.0 108.431 172.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.6 -88.43 0.35 Allowed Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.856 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -89.83 -30.4 17.96 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -173.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -97.85 123.98 42.05 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -174.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -136.36 131.34 34.12 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.018 0.437 . . . . 0.0 111.46 -174.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 40.8 p90 -142.63 134.2 26.57 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.648 176.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.528 ' H ' ' CD ' ' A' ' 30' ' ' GLU . 0.7 OUTLIER -87.43 151.2 23.25 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.312 0.577 . . . . 0.0 111.134 -175.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.408 HG23 ' HD3' ' A' ' 46' ' ' PRO . 14.4 p -135.17 157.37 40.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.159 -176.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.413 HD22 ' N ' ' A' ' 32' ' ' LEU . 1.5 mm? -87.49 125.67 34.45 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.9 tp -75.6 143.64 42.22 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.831 -178.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -127.49 -70.84 0.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.274 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.721 ' OD2' ' HA ' ' A' ' 121' ' ' SER . 2.4 m-20 -130.1 158.62 39.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.419 -178.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.8 p -155.87 154.48 6.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.266 -178.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.501 ' HA ' HD23 ' A' ' 112' ' ' LEU . 59.5 p -155.37 -172.26 4.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.597 0.237 . . . . 0.0 110.536 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.601 ' HG ' ' HB3' ' A' ' 112' ' ' LEU . 25.9 mt -85.2 7.64 21.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.439 0.638 . . . . 0.0 109.286 177.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -110.67 -14.2 14.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.547 -176.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.483 ' HA3' ' O ' ' A' ' 85' ' ' PHE . . . 150.84 -137.6 6.17 Favored Glycine 0 N--CA 1.44 -1.087 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.64 -176.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.7 tt -161.62 149.29 4.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 -172.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 34.5 tp -127.9 117.12 21.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.916 0.389 . . . . 0.0 110.126 -177.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.8 m -126.29 -175.03 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.031 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -158.97 154.1 25.19 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.294 -0.955 . . . . 0.0 112.242 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 52.0 tp60 109.79 -30.58 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.094 0 C-N-CA 125.181 1.392 . . . . 0.0 114.718 172.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.408 ' HD3' HG23 ' A' ' 31' ' ' VAL . 74.2 Cg_exo -52.08 110.32 0.43 Allowed 'Trans proline' 0 C--N 1.363 1.325 0 CA-C-N 122.024 1.759 . . . . 0.0 111.567 173.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -69.98 -30.44 67.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.327 -171.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -150.24 -179.17 6.98 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.613 ' CZ2' HD13 ' A' ' 83' ' ' LEU . 94.6 m95 -134.75 -79.71 0.45 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.183 0.516 . . . . 0.0 110.69 -177.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -170.96 -67.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.627 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.8 -26.49 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.464 176.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -120.15 106.77 40.43 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-O 120.946 0.403 . . . . 0.0 111.037 -178.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -67.06 -4.51 11.65 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 123.361 2.707 . . . . 0.0 113.094 176.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -83.23 -7.44 59.61 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 176.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -74.59 118.91 73.76 Favored Pre-proline 0 N--CA 1.448 -0.529 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.479 175.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.92 125.26 17.69 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.946 2.43 . . . . 0.0 112.778 -175.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -102.14 131.46 48.62 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 177.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.501 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 46.3 mt-10 -104.56 119.72 39.64 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.479 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -104.59 114.63 28.97 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 176.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.676 HH11 HD21 ' A' ' 23' ' ' LEU . 77.4 mtt85 -115.71 117.81 31.3 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.384 179.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.813 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 82.9 mt -99.73 107.3 19.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.119 -177.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -83.69 100.08 10.64 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.385 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.1 tp -98.02 -15.05 20.22 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.813 0.816 . . . . 0.0 109.096 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -161.75 -162.6 13.27 Favored Glycine 0 N--CA 1.442 -0.912 0 CA-C-N 114.478 -1.237 . . . . 0.0 110.171 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.6 mp -84.73 -32.67 23.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 117.241 0.521 . . . . 0.0 109.962 178.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -115.97 -11.59 11.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.457 176.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.4 t -86.88 84.38 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.374 0.606 . . . . 0.0 109.441 177.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.671 HD11 ' HB3' ' A' ' 60' ' ' ARG . 61.0 tp -115.11 118.38 33.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.522 -177.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.813 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 62.1 mt -89.43 97.56 7.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 173.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -103.18 125.48 49.89 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.271 0.557 . . . . 0.0 110.337 -176.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.5 ptm -137.67 121.86 18.03 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.532 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.532 ' HB3' ' HB3' ' A' ' 89' ' ' HIS . 35.8 tt0 -83.07 123.82 29.86 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 175.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.697 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 6.4 pt -132.55 157.05 42.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-O 121.64 0.733 . . . . 0.0 112.014 -170.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.6 t -121.98 124.92 45.16 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.144 -0.934 . . . . 0.0 108.785 176.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.7 tp -64.5 107.59 1.42 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.915 0.388 . . . . 0.0 110.467 -177.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -109.88 -4.79 15.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.422 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -129.86 149.12 51.73 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.848 -178.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -162.03 118.72 2.07 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-N 114.396 -1.275 . . . . 0.0 110.502 -176.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 79' ' ' ARG . 3.7 tpt180 -142.89 73.43 1.4 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.033 178.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 56.46 -90.58 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.052 -179.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.0 -25.92 18.16 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.268 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 98.7 mt -88.2 135.0 33.64 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.613 HD13 ' CZ2' ' A' ' 49' ' ' TRP . 21.2 mt -135.51 131.82 36.54 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.67 0.271 . . . . 0.0 110.784 -174.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -122.42 139.27 12.52 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.434 -0.888 . . . . 0.0 112.269 -176.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.697 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 73.1 m-85 -118.18 144.96 45.3 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 120.795 0.331 . . . . 0.0 110.867 -177.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -93.83 130.57 39.81 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 172.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.537 ' HA ' HG22 ' A' ' 73' ' ' ILE . 27.1 p -68.85 126.89 31.18 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.754 0.312 . . . . 0.0 110.235 -179.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -112.89 -29.2 7.46 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.759 -177.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.532 ' HB3' ' HB3' ' A' ' 72' ' ' GLU . 3.6 t-160 -159.93 99.45 1.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.28 179.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 46.6 mt -106.22 132.47 53.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 176.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.44 ' O ' HG13 ' A' ' 95' ' ' ILE . 14.5 t70 -75.33 146.15 41.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.481 -178.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.28 -38.77 84.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.43 -176.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.36 -39.75 94.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.218 0.532 . . . . 0.0 109.874 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.531 ' HB3' HG23 ' A' ' 69' ' ' ILE . 39.4 m -66.29 -37.97 86.68 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.561 178.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 91' ' ' ASP . 74.2 mt -63.37 -44.49 99.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.477 177.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 100' ' ' ARG . 44.5 m -62.31 -40.2 95.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.978 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -63.62 -45.29 90.98 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 120.781 0.324 . . . . 0.0 110.428 176.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.406 ' O ' HG23 ' A' ' 102' ' ' VAL . 53.3 tp -59.54 -56.99 14.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.841 -174.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -67.46 -40.48 85.34 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.278 -175.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 96' ' ' SER . 0.0 OUTLIER -61.86 -38.0 86.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.712 0.292 . . . . 0.0 110.636 177.81 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.459 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 43.3 tp -62.68 -53.77 49.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.104 177.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.517 HG13 HG21 ' A' ' 14' ' ' ILE . 65.3 t -59.74 -34.13 54.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.178 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -62.45 -52.7 62.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.879 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.9 mp -74.9 -21.8 59.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.896 0.379 . . . . 0.0 110.773 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 101' ' ' LEU . 7.1 t-20 -75.8 -19.85 58.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.456 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 63.72 40.44 7.77 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.824 -178.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -92.65 -9.59 61.18 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.74 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.5 t70 72.08 146.12 0.07 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.448 0.699 . . . . 0.0 110.794 -178.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -85.28 -4.34 59.12 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -173.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.576 ' O ' ' HG3' ' A' ' 114' ' ' ARG . 31.2 tt0 -59.97 -41.3 91.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.984 0.421 . . . . 0.0 110.408 -178.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.55 HD11 ' O ' ' A' ' 12' ' ' HIS . 48.2 mt -57.79 -37.76 74.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.024 -179.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.601 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . 96.6 mt -74.35 -25.06 59.29 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.517 -176.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -128.87 37.91 4.02 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.25 0.547 . . . . 0.0 111.721 -170.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' A' ' 110' ' ' GLU . 73.5 mtm180 -93.14 -92.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 166.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -172.98 166.08 5.06 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 175.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.4 tp -68.31 -43.09 78.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 118.003 0.365 . . . . 0.0 110.075 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.65 -17.56 64.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.02 0.438 . . . . 0.0 110.707 174.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 85.8 mt -97.74 7.16 46.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.415 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.2 mp -119.82 117.87 29.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.342 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.5 t -126.87 141.42 46.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.721 ' HA ' ' OD2' ' A' ' 35' ' ' ASP . 38.9 p -61.47 169.03 2.47 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 123.524 0.515 . . . . 0.0 111.483 -175.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.51 -43.28 2.61 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 123.808 0.693 . . . . 0.0 111.949 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -86.51 85.64 7.31 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 172.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -96.1 -42.28 8.31 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 175.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 20.8 t70 . . . . . 0 C--O 1.246 0.909 0 CA-C-O 118.423 -0.799 . . . . 0.0 109.381 175.708 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 120.725 0.298 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.9 m -124.08 138.71 54.4 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 120.832 0.349 . . . . 0.0 110.984 -177.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.25 -41.31 98.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.334 176.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.878 ' HA ' HE21 ' A' ' 4' ' ' GLN . 0.0 OUTLIER 72.19 -45.92 0.63 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.054 -0.976 . . . . 0.0 111.217 -179.629 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -78.04 126.69 31.19 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 175.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -82.96 -8.44 59.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.88 0.371 . . . . 0.0 111.764 -172.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -77.42 69.56 3.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.415 0.626 . . . . 0.0 109.864 177.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -98.8 170.72 8.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.026 -177.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.405 ' HD3' ' HA ' ' A' ' 9' ' ' ARG . 20.2 mmt180 54.2 -112.98 0.75 Allowed 'General case' 0 C--N 1.333 -0.14 0 O-C-N 123.412 0.445 . . . . 0.0 110.342 -171.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? 54.09 37.45 27.0 Favored 'General case' 0 C--N 1.334 -0.104 0 O-C-N 123.512 0.508 . . . . 0.0 111.201 177.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -78.23 74.69 4.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.509 0.671 . . . . 0.0 110.842 -178.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -164.09 100.06 0.86 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.804 -1.089 . . . . 0.0 108.799 177.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.416 ' HB3' ' H ' ' A' ' 14' ' ' ILE . 98.5 mtt180 -76.25 -162.81 0.26 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.776 0.322 . . . . 0.0 110.991 -178.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.497 HG21 HG12 ' A' ' 36' ' ' VAL . 49.6 mm -59.35 110.27 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.581 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 178.71 98.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 O-C-N 124.212 0.945 . . . . 0.0 109.38 175.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -115.35 156.24 25.87 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.05 -179.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -72.75 98.4 2.39 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.947 0.879 . . . . 0.0 110.39 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.57 150.9 49.83 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.267 175.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.543 ' HB3' ' HB2' ' A' ' 62' ' ' TYR . 9.2 t70 -87.29 130.16 34.71 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 177.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.424 ' HB3' HD23 ' A' ' 61' ' ' LEU . 4.1 p -130.92 124.58 31.43 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -172.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.557 ' OE2' ' HD3' ' A' ' 28' ' ' ARG . 47.6 mt-10 -109.05 126.36 53.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.743 172.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.593 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 1.8 mp -109.3 110.98 34.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 171.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -129.74 147.63 51.54 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.171 0.51 . . . . 0.0 112.133 -171.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.606 HE21 ' HH2' ' A' ' 29' ' ' TRP . 22.3 pt20 -117.22 100.23 7.57 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.493 172.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.98 -94.6 0.37 Allowed Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.867 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -109.88 -11.1 14.71 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -174.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 27' ' ' ARG . 8.4 tpp180 -103.47 116.44 32.4 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 -178.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.557 ' HD3' ' OE2' ' A' ' 21' ' ' GLU . 10.6 ptp180 -117.15 139.79 50.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.041 0.448 . . . . 0.0 111.648 -175.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.606 ' HH2' HE21 ' A' ' 24' ' ' GLN . 28.4 m-90 -117.38 108.01 15.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.577 175.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -71.57 105.29 3.59 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 172.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.806 HG22 ' H ' ' A' ' 32' ' ' LEU . 5.5 p -131.5 -177.77 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.131 -169.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.806 ' H ' HG22 ' A' ' 31' ' ' VAL . 95.3 mt -96.72 119.3 34.94 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -174.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.447 HD22 HD22 ' A' ' 61' ' ' LEU . 29.4 tp -72.01 146.21 47.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.125 171.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 -133.73 -87.32 0.41 Allowed 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 119.661 -0.209 . . . . 0.0 110.807 177.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -118.51 162.89 17.6 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 -173.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.497 HG12 HG21 ' A' ' 14' ' ' ILE . 14.4 p -163.67 144.3 2.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 121.43 0.634 . . . . 0.0 111.86 -175.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.7 p -125.58 -175.99 3.48 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 173.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.7 mt -84.83 0.81 49.57 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.012 0.434 . . . . 0.0 110.66 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.646 ' ND1' ' HA ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -113.9 -18.63 11.72 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.113 0.483 . . . . 0.0 110.341 -178.752 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.74 159.15 24.05 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.353 -172.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.3 tt -122.41 144.88 30.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 -177.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.649 HD11 ' HB3' ' A' ' 82' ' ' LEU . 49.6 tp -118.74 111.59 18.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.96 0.41 . . . . 0.0 110.473 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.3 m -112.33 163.27 9.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.303 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -108.65 89.97 0.59 Allowed Glycine 0 N--CA 1.441 -0.989 0 C-N-CA 120.29 -0.957 . . . . 0.0 111.2 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -116.57 101.77 53.54 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-O 120.879 0.371 . . . . 0.0 110.844 -175.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -86.32 18.75 1.51 Allowed 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 123.053 2.502 . . . . 0.0 110.901 174.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -104.12 114.59 28.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.795 -177.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -71.19 156.15 39.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.19 0.519 . . . . 0.0 111.108 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -148.57 -167.7 2.89 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.776 177.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.576 HD21 ' HG3' ' A' ' 55' ' ' ARG . 28.1 p-10 -59.93 -37.78 80.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.782 0.325 . . . . 0.0 110.516 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.93 44.59 45.94 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.946 -0.645 . . . . 0.0 113.197 169.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.553 ' HB3' ' HG2' ' A' ' 55' ' ' ARG . 32.6 t70 -112.91 121.05 39.33 Favored Pre-proline 0 C--N 1.322 -0.608 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 176.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.581 ' HA ' ' HB3' ' A' ' 75' ' ' LEU . 25.7 Cg_endo -62.4 -15.17 43.46 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.937 2.425 . . . . 0.0 112.963 -176.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -91.31 7.83 39.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.068 0.461 . . . . 0.0 110.513 -178.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.576 ' HG3' HD21 ' A' ' 50' ' ' ASN . 8.5 mmt180 -102.71 109.94 62.11 Favored Pre-proline 0 N--CA 1.449 -0.48 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.501 177.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -57.39 123.0 12.75 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 123.271 2.647 . . . . 0.0 112.503 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.597 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 40.9 m-85 -108.26 134.99 50.33 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.109 0.48 . . . . 0.0 110.033 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.593 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 39.6 mt-10 -103.97 128.43 51.51 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.351 -178.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -105.61 107.3 18.22 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 174.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.603 ' HG2' HD11 ' A' ' 68' ' ' LEU . 15.1 ttp180 -110.52 112.36 24.23 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -177.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.973 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 95.7 mt -99.91 123.71 44.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.906 -176.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.543 ' HB2' ' HB3' ' A' ' 19' ' ' ASP . 74.2 m-85 -104.46 112.76 25.95 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.989 -178.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 63' ' ' LEU . 4.0 mm? -100.95 -14.98 17.66 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 167.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.71 179.11 46.97 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 176.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 73.4 mt -77.16 -14.78 59.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 117.95 0.875 . . . . 0.0 110.173 175.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -92.56 -50.78 5.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.374 176.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.4 t -90.05 99.75 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.426 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.603 HD11 ' HG2' ' A' ' 60' ' ' ARG . 60.2 tp -116.7 125.25 51.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.33 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.973 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 39.0 mt -100.02 131.61 47.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 175.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -137.08 120.25 16.7 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.004 0.431 . . . . 0.0 111.116 -170.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.7 ptm -145.34 128.97 17.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.026 0.441 . . . . 0.0 110.867 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.512 ' HB3' ' HB3' ' A' ' 89' ' ' HIS . 63.7 tt0 -90.57 130.12 36.64 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.626 177.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.56 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 11.5 pt -133.54 153.48 37.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.37 -173.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.436 ' HB2' ' CD ' ' A' ' 88' ' ' GLN . 32.8 t -108.19 145.62 33.97 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.445 177.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.597 ' HB2' ' CE1' ' A' ' 57' ' ' PHE . 57.8 tp -74.01 111.54 9.28 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.516 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -91.51 -53.0 4.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.772 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 56.1 p-90 -153.58 140.75 19.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.094 0.473 . . . . 0.0 111.475 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.547 ' HA ' ' HG ' ' A' ' 83' ' ' LEU . . . -118.42 100.03 7.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.784 176.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -96.64 74.59 2.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.661 -176.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 62.17 -77.91 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.564 -0.743 . . . . 0.0 112.505 178.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -110.2 -22.53 6.47 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.44 -178.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.649 ' HB3' HD11 ' A' ' 42' ' ' LEU . 79.7 mt -106.23 116.73 32.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.755 0.312 . . . . 0.0 110.564 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.547 ' HG ' ' HA ' ' A' ' 78' ' ' ALA . 8.0 mp -111.58 126.72 55.3 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.028 0.442 . . . . 0.0 111.254 -179.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.11 128.97 9.47 Favored Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.45 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.56 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 94.0 m-85 -114.02 149.05 35.98 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.959 0.409 . . . . 0.0 111.514 -176.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -87.37 124.21 33.14 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.723 175.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.502 ' HA ' HG22 ' A' ' 73' ' ' ILE . 87.5 m -78.67 120.98 24.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.881 0.372 . . . . 0.0 110.923 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.436 ' CD ' ' HB2' ' A' ' 74' ' ' SER . 35.9 mt-30 -110.63 -67.29 1.0 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.255 -175.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.512 ' HB3' ' HB3' ' A' ' 72' ' ' GLU . 83.6 t60 -116.74 101.04 8.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.568 -175.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.484 HD11 ' HB3' ' A' ' 87' ' ' CYS . 44.2 mt -109.63 132.18 58.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.785 179.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.524 ' O ' HG13 ' A' ' 95' ' ' ILE . 11.5 t70 -76.32 145.28 39.65 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.115 -179.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 98.2 mt -65.54 -42.35 92.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.668 -176.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -63.68 -39.72 95.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.194 0.521 . . . . 0.0 109.75 176.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.466 ' HB3' ' O ' ' A' ' 91' ' ' ASP . 30.2 t -55.57 -48.65 74.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.485 173.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 91' ' ' ASP . 73.7 mt -58.57 -44.44 89.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.566 178.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 47.6 t -56.36 -45.46 80.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.732 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -63.42 -49.78 72.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 110.605 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.81 -54.8 25.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.953 -173.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -68.34 -36.84 79.85 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.463 -173.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.451 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 36.5 ttp85 -70.56 -29.95 66.54 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.35 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 55.7 tp -64.53 -40.35 95.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.071 0.462 . . . . 0.0 109.972 175.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.826 HG21 HD11 ' A' ' 112' ' ' LEU . 59.2 t -64.97 -41.6 92.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.277 176.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -55.84 -50.42 70.64 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.712 174.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 96.3 mt -60.79 -30.47 70.06 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.898 -178.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -91.99 -16.58 26.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.403 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.0 mp 56.24 39.33 30.26 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.444 -176.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -90.28 27.35 8.56 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.648 -0.705 . . . . 0.0 113.305 -175.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.7 t70 70.16 131.13 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 121.293 0.568 . . . . 0.0 112.104 176.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -87.4 -18.96 28.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.603 -178.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -70.34 -19.38 63.06 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.941 -0.303 . . . . 0.0 110.238 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.81 ' HA ' ' HD2' ' A' ' 114' ' ' ARG . 76.2 mt -68.95 -23.78 64.19 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 120.861 0.362 . . . . 0.0 110.372 173.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.826 HD11 HG21 ' A' ' 102' ' ' VAL . 99.5 mt -87.43 -9.89 53.43 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.281 0.562 . . . . 0.0 109.584 174.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -122.93 29.96 6.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.351 -173.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.81 ' HD2' ' HA ' ' A' ' 111' ' ' LEU . 6.2 mtp180 -77.64 -97.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 172.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.646 ' HA ' ' ND1' ' A' ' 39' ' ' HIS . 0.0 OUTLIER 178.05 158.38 0.45 Allowed 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 172.435 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 56.1 tp -58.56 -39.29 79.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 118.238 0.472 . . . . 0.0 110.119 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -74.98 -10.63 59.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.304 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 79.2 mt -104.02 -0.48 28.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.778 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' ' 115' ' ' GLU . 5.4 mp -89.73 104.48 17.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.395 0.617 . . . . 0.0 111.523 -178.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.8 HG12 ' H ' ' A' ' 121' ' ' SER . 2.7 t -95.48 -168.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 173.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.8 ' H ' HG12 ' A' ' 120' ' ' VAL . 6.7 p -80.43 171.59 14.86 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 121.871 -0.518 . . . . 0.0 110.428 -179.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -50.44 -40.11 49.48 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.949 0.404 . . . . 0.0 111.128 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -102.48 146.68 27.75 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 170.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -107.36 115.39 30.07 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 30.5 t70 . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.337 -0.839 . . . . 0.0 110.177 -176.111 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.437 ' CE ' ' HA ' ' A' ' 1' ' ' MET . 18.8 mmt . . . . . 0 N--CA 1.483 1.201 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m 63.16 23.78 14.07 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.434 0.635 . . . . 0.0 110.308 -177.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -109.09 153.56 23.51 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.734 -176.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -169.86 150.59 3.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.663 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -71.63 143.35 49.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.881 0.372 . . . . 0.0 110.748 -177.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -90.32 -164.8 1.22 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.267 178.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -65.2 138.3 58.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.237 0.541 . . . . 0.0 112.047 -176.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -136.97 -62.34 0.64 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.436 -0.802 . . . . 0.0 108.858 169.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -93.28 131.22 38.61 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 177.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.58 ' HD2' ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -80.54 113.67 18.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.176 0.513 . . . . 0.0 110.639 -178.376 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.43 ' HB2' ' O ' ' A' ' 10' ' ' ARG . 32.1 t80 178.23 105.64 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.947 177.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.623 ' HB3' HD11 ' A' ' 111' ' ' LEU . 2.0 t-160 -93.19 106.08 18.08 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 176.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 13' ' ' ARG . 10.8 ptm85 -84.08 118.57 24.17 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.248 0.547 . . . . 0.0 111.871 -172.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 26.7 mm -94.16 91.22 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.294 173.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 34' ' ' HIS . . . -163.01 120.98 1.99 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.285 178.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -105.52 159.31 16.04 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -178.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -95.51 30.15 2.36 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.784 0.802 . . . . 0.0 109.511 173.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.51 144.84 41.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.815 175.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -67.89 123.82 21.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.96 0.41 . . . . 0.0 110.358 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.4 t -123.18 130.73 53.15 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.113 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -124.98 122.77 38.28 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.944 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.519 HG13 HG11 ' A' ' 31' ' ' VAL . 53.1 mt -97.01 130.96 44.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 176.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.522 ' HB2' ' HB2' ' A' ' 58' ' ' GLU . 17.8 mt -121.85 140.36 52.48 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.469 -172.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.02 80.41 1.7 Allowed 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 167.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.68 -98.38 0.24 Allowed Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.955 -175.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -89.04 -22.59 22.88 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.562 0.22 . . . . 0.0 111.409 -178.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -82.7 113.53 20.43 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 120.774 0.321 . . . . 0.0 110.482 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -108.92 126.66 53.31 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.606 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 7.6 m-90 -121.17 121.7 38.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.539 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -81.91 104.96 12.65 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 174.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.519 HG11 HG13 ' A' ' 22' ' ' ILE . 10.9 p -106.92 158.55 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.718 -167.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tt -87.12 110.04 19.85 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 175.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.7 tp -66.57 140.48 57.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.079 -178.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.458 ' O ' ' HA ' ' A' ' 15' ' ' ALA . 47.3 m-70 -127.65 -95.66 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.366 177.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.58 ' OD2' ' HA ' ' A' ' 121' ' ' SER . 1.5 m-20 -118.73 148.47 42.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.64 0.257 . . . . 0.0 110.312 -170.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.8 p -140.63 151.72 20.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.717 0.294 . . . . 0.0 111.074 -175.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 77.4 p -142.94 -176.38 4.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.823 176.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 46.1 tp -83.35 -4.91 58.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.512 0.672 . . . . 0.0 109.624 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.623 ' ND1' ' HA ' ' A' ' 115' ' ' GLU . 6.3 m170 -98.45 -17.23 18.88 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-O 121.798 0.809 . . . . 0.0 109.475 -176.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.612 ' HA3' ' O ' ' A' ' 85' ' ' PHE . . . 154.72 -150.75 22.39 Favored Glycine 0 N--CA 1.442 -0.915 0 CA-C-N 114.424 -1.262 . . . . 0.0 112.006 -175.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.2 tt -153.8 150.27 12.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.723 0.261 . . . . 0.0 111.063 -173.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.568 HD11 ' HB3' ' A' ' 82' ' ' LEU . 24.8 tp -122.24 123.52 41.65 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.416 HG21 HD11 ' A' ' 22' ' ' ILE . 35.4 m -128.97 178.57 4.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.841 0.353 . . . . 0.0 111.46 -177.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -120.24 108.42 1.44 Allowed Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 174.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.463 ' OE1' ' HD2' ' A' ' 46' ' ' PRO . 7.5 tp60 -101.48 134.27 20.36 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-O 120.47 0.176 . . . . 0.0 111.423 -171.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.463 ' HD2' ' OE1' ' A' ' 45' ' ' GLN . 53.3 Cg_endo -70.73 172.31 13.83 Favored 'Trans proline' 0 C--O 1.236 0.398 0 C-N-CA 122.666 2.244 . . . . 0.0 111.531 172.29 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -75.44 88.26 2.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.0 0.429 . . . . 0.0 112.087 -176.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -166.33 20.25 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.818 0.818 . . . . 0.0 108.863 171.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 51.0 t-105 -70.07 130.03 41.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.8 -174.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -155.26 144.81 21.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.399 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 134.19 -36.23 2.13 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 121.152 -0.547 . . . . 0.0 111.876 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.763 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 35.8 m-20 62.65 174.14 0.06 OUTLIER Pre-proline 0 N--CA 1.467 0.412 0 C-N-CA 122.734 0.414 . . . . 0.0 111.136 -177.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.763 ' HD2' ' HB3' ' A' ' 52' ' ' ASP . 47.3 Cg_endo -68.75 28.49 0.15 Allowed 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 122.287 1.991 . . . . 0.0 112.795 174.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.491 ' H ' ' C ' ' A' ' 52' ' ' ASP . 43.7 mt-30 -112.91 -17.11 12.57 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.418 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 10.2 mmt180 -109.88 129.41 23.96 Favored Pre-proline 0 N--CA 1.447 -0.6 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.006 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.62 133.83 60.48 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.867 2.378 . . . . 0.0 111.505 172.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 29.0 m-85 -115.08 145.61 42.15 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.522 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 45.4 mt-10 -118.39 141.52 48.46 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.645 0.26 . . . . 0.0 110.823 -178.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.453 ' HB3' ' CG ' ' A' ' 71' ' ' MET . . . -116.82 113.28 22.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.234 175.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -104.59 114.96 29.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.024 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.616 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 86.3 mt -110.08 120.0 41.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.775 0.322 . . . . 0.0 111.181 -177.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -93.64 111.04 22.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.895 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 63' ' ' LEU . 4.0 mm? -112.34 -4.44 14.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.406 0.622 . . . . 0.0 109.777 176.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.83 -178.48 48.06 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 178.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.7 mp -72.34 -34.85 68.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 117.172 0.486 . . . . 0.0 110.137 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -99.77 -29.76 12.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.831 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -84.29 87.44 2.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.194 0.521 . . . . 0.0 110.674 -176.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.2 tp -109.9 120.05 41.27 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.71 177.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.616 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 69.3 mt -105.95 114.06 44.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.188 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 -112.09 149.94 31.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.059 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.453 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 23.1 ptm -150.15 121.99 8.15 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.967 175.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.407 ' HB2' ' HB3' ' A' ' 89' ' ' HIS . 43.2 mt-10 -82.67 126.79 32.74 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.59 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 5.8 pt -137.87 177.96 4.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.948 -172.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.563 ' HB2' ' NE2' ' A' ' 88' ' ' GLN . 18.3 t -146.18 160.46 41.93 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 170.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.573 ' HB2' ' CE1' ' A' ' 57' ' ' PHE . 11.9 tp -77.56 124.01 27.36 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.111 -0.635 . . . . 0.0 110.835 -175.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -135.12 12.72 3.58 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.217 0.532 . . . . 0.0 110.208 177.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.709 ' HB2' HD21 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -160.22 147.5 16.21 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.365 -176.864 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -162.3 115.32 1.73 Allowed 'General case' 0 C--N 1.292 -1.901 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.638 -178.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.487 ' HB2' ' CZ3' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -136.23 84.33 2.07 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 175.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 50.34 37.38 15.16 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 168.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 127.21 -39.19 1.99 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.617 -0.802 . . . . 0.0 111.545 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.568 ' HB3' HD11 ' A' ' 42' ' ' LEU . 94.6 mt -80.81 113.18 18.83 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 175.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.471 ' O ' ' HA ' ' A' ' 42' ' ' LEU . 83.4 mt -105.38 128.16 53.36 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.255 -177.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.521 ' HA3' ' HB3' ' A' ' 77' ' ' TRP . . . -109.75 132.45 11.05 Favored Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 178.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.612 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 91.5 m-85 -116.38 139.79 50.04 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 120.782 0.325 . . . . 0.0 110.982 -176.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -87.15 131.91 34.02 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 173.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.58 ' HA ' HG22 ' A' ' 73' ' ' ILE . 28.5 p -75.68 137.86 40.95 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.016 0.436 . . . . 0.0 111.423 -175.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.563 ' NE2' ' HB2' ' A' ' 74' ' ' SER . 66.6 mt-30 -109.22 -65.14 1.17 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.173 174.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 72' ' ' GLU . 49.0 t60 -130.13 105.62 8.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.052 -177.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 26.4 mt -111.19 112.56 41.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 170.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.432 ' O ' HG13 ' A' ' 95' ' ' ILE . 6.5 m-20 -59.93 141.06 56.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.418 -178.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 34.3 tp -60.19 -27.2 66.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.359 0.599 . . . . 0.0 109.829 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.16 -48.69 69.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.223 177.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.54 ' HB2' HG23 ' A' ' 69' ' ' ILE . 9.7 p -70.41 -33.07 70.94 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.524 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 91' ' ' ASP . 81.7 mt -58.44 -49.25 82.83 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 172.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.1 t -56.93 -46.39 82.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.911 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -62.48 -47.08 85.55 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.055 -178.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.453 ' HB2' HD13 ' A' ' 69' ' ' ILE . 51.7 tp -70.57 -44.49 67.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.29 -175.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 30.7 ttp85 -64.98 -43.43 92.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.578 -177.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -70.27 -26.41 63.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.537 -177.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 63.3 tp -61.24 -46.19 91.41 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.212 0.529 . . . . 0.0 109.624 174.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 49.3 t -67.06 -37.77 79.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.288 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -60.29 -53.98 51.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.236 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.89 -24.96 66.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.599 -176.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -95.19 0.0 53.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.243 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 79.5 mt 51.87 41.7 29.59 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.232 0.539 . . . . 0.0 110.865 -178.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -83.62 1.7 88.36 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.755 -176.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 64.69 104.96 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 123.141 0.576 . . . . 0.0 111.18 -178.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -73.4 1.97 8.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.668 -176.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -57.31 -41.9 80.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.811 174.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.623 HD11 ' HB3' ' A' ' 12' ' ' HIS . 74.2 mt -74.76 -8.99 58.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.494 -174.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.497 ' O ' HD23 ' A' ' 112' ' ' LEU . 7.9 tt -86.22 -10.75 54.08 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 177.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.417 ' O ' ' HE1' ' A' ' 39' ' ' HIS . 30.5 tt0 -105.26 11.89 32.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.037 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.494 ' HB2' ' CD1' ' A' ' 119' ' ' LEU . 80.7 mtm180 -70.88 130.42 41.59 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 174.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.623 ' HA ' ' ND1' ' A' ' 39' ' ' HIS . 7.4 tp10 -62.98 161.07 13.67 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.709 HD21 ' HB2' ' A' ' 77' ' ' TRP . 36.3 tp -57.41 -42.1 81.62 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 118.075 0.398 . . . . 0.0 110.343 175.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.75 -23.21 67.08 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.735 172.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.573 ' HG ' ' HB3' ' A' ' 115' ' ' GLU . 68.9 mt -96.06 -7.08 37.15 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.092 0.472 . . . . 0.0 110.527 178.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.494 ' CD1' ' HB2' ' A' ' 114' ' ' ARG . 5.3 tp -89.76 80.39 6.55 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 121.38 0.609 . . . . 0.0 110.412 -169.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 8.9 p -97.39 150.12 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 172.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.58 ' HA ' ' OD2' ' A' ' 35' ' ' ASP . 9.8 t -81.15 165.23 21.74 Favored 'General case' 0 C--N 1.313 -0.985 0 C-N-CA 120.32 -0.552 . . . . 0.0 111.407 -170.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -53.18 -23.52 8.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.537 170.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -77.67 92.22 4.11 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.471 174.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -129.23 108.18 10.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.11 176.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.52 -0.753 . . . . 0.0 110.275 179.334 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.4 ttm . . . . . 0 N--CA 1.483 1.189 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -138.23 87.32 2.23 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 174.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -77.95 61.93 2.65 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.394 0.616 . . . . 0.0 111.697 -174.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.403 HE21 ' HB2' ' A' ' 4' ' ' GLN . 17.9 mt-30 -136.75 -94.75 0.23 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.255 -0.884 . . . . 0.0 108.696 175.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -152.02 -63.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 171.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.2 t70 48.46 49.67 17.88 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.055 178.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -71.38 121.42 18.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.321 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.6 mtm180 -110.85 41.52 1.79 Allowed 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 69.2 -71.98 0.11 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 114.508 -1.224 . . . . 0.0 110.815 -174.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 178.2 92.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.436 ' O ' ' HB3' ' A' ' 12' ' ' HIS . 7.5 t80 73.21 -40.98 0.49 Allowed 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.932 0.893 . . . . 0.0 110.746 -176.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.436 ' HB3' ' O ' ' A' ' 11' ' ' PHE . 69.2 t60 77.79 -16.34 0.66 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.557 0.743 . . . . 0.0 111.969 173.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.654 ' CZ ' ' H ' ' A' ' 120' ' ' VAL . 23.5 mmt180 -129.44 152.17 49.27 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 -177.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.0 pt -106.21 91.94 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.532 0.682 . . . . 0.0 110.206 173.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.467 ' HA ' HD22 ' A' ' 33' ' ' LEU . . . -128.08 84.38 2.24 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.853 -176.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -77.0 142.52 39.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.607 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -69.74 90.22 0.58 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.621 0.724 . . . . 0.0 111.564 -176.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -131.91 116.03 16.65 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.98 -1.009 . . . . 0.0 108.71 174.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.479 ' O ' ' HD2' ' A' ' 62' ' ' TYR . 64.7 m-20 -56.91 120.78 8.52 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -178.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' A' ' 60' ' ' ARG . 23.2 t -107.2 110.08 22.05 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.21 -177.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -96.82 120.3 36.9 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 175.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.5 HD12 HE21 ' A' ' 45' ' ' GLN . 65.9 mt -96.62 113.78 31.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.56 175.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.443 HD22 ' HG2' ' A' ' 28' ' ' ARG . 61.8 mt -99.21 137.65 37.42 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.69 -177.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -109.52 37.42 2.63 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 170.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.23 -62.59 4.54 Favored Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.35 -173.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.526 ' HG3' ' HG3' ' A' ' 27' ' ' ARG . 12.7 pt-20 -100.76 -37.63 8.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.645 0.259 . . . . 0.0 111.527 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.526 ' HG3' ' HG3' ' A' ' 26' ' ' GLU . 51.5 mtp85 -88.08 139.44 30.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.629 0.252 . . . . 0.0 111.023 -174.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.443 ' HG2' HD22 ' A' ' 23' ' ' LEU . 98.6 mtt180 -121.65 111.21 16.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.623 -177.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 -110.98 103.47 11.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.309 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -79.17 108.89 13.0 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 174.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.6 p -123.33 159.35 27.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.152 -172.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.2 mp -88.07 141.24 28.73 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.758 177.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.475 HD11 ' HB ' ' A' ' 36' ' ' VAL . 8.7 tt -83.75 131.47 34.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.672 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -103.73 -43.38 5.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.761 0.315 . . . . 0.0 110.791 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -160.09 137.23 9.38 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 175.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.475 ' HB ' HD11 ' A' ' 33' ' ' LEU . 14.7 p -129.07 149.41 33.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.772 0.32 . . . . 0.0 110.3 -175.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.8 p -164.98 -168.01 1.34 Allowed 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 120.585 0.231 . . . . 0.0 111.164 -177.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.4 mt -89.94 -15.48 31.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.23 -177.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -98.09 5.9 48.14 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.004 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.55 -159.91 24.62 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.305 -0.95 . . . . 0.0 112.624 -178.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.9 tt -159.28 149.54 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.634 0.254 . . . . 0.0 110.415 -174.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.427 HD22 ' O ' ' A' ' 119' ' ' LEU . 38.5 tp -116.45 129.54 56.27 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.277 176.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.2 m -127.1 170.58 16.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.197 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -132.23 100.11 0.41 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.984 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.5 HE21 HD12 ' A' ' 22' ' ' ILE . 69.0 mt-30 -95.69 147.58 33.23 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-O 120.587 0.232 . . . . 0.0 110.509 -179.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 45' ' ' GLN . 24.4 Cg_exo -62.76 -77.03 0.02 OUTLIER 'Trans proline' 0 CA--C 1.533 0.471 0 C-N-CA 123.054 2.503 . . . . 0.0 113.762 -177.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -140.67 -40.6 0.41 Allowed 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -174.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -70.11 108.0 3.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.82 0.343 . . . . 0.0 110.845 -175.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -167.56 137.84 2.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.817 -177.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -80.1 -79.88 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 177.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.71 47.25 0.41 Allowed Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.196 -1.002 . . . . 0.0 112.258 175.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.404 ' C ' ' H ' ' A' ' 54' ' ' GLN . 3.4 m-20 -101.51 105.89 42.94 Favored Pre-proline 0 N--CA 1.446 -0.648 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 177.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.567 ' HA ' ' HB3' ' A' ' 75' ' ' LEU . 72.1 Cg_endo -76.2 22.79 0.49 Allowed 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.729 2.286 . . . . 0.0 111.829 -178.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.404 ' H ' ' C ' ' A' ' 52' ' ' ASP . 22.4 mt-30 -137.68 11.84 2.94 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 55' ' ' ARG . 9.6 ttm180 -111.48 113.52 53.51 Favored Pre-proline 0 N--CA 1.433 -1.28 0 CA-C-N 114.25 -1.341 . . . . 0.0 110.251 -172.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.73 112.92 1.09 Allowed 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.988 2.459 . . . . 0.0 112.667 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.419 ' O ' HG12 ' A' ' 73' ' ' ILE . 41.4 m-85 -106.47 134.7 49.2 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 177.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 43.0 mt-10 -108.2 114.13 27.79 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.193 -171.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.83 121.98 39.28 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.771 0.32 . . . . 0.0 110.649 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.447 ' O ' ' HA ' ' A' ' 20' ' ' SER . 70.7 mtp180 -111.41 113.4 25.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.25 178.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.646 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 97.8 mt -99.83 114.03 26.94 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.081 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.479 ' HD2' ' O ' ' A' ' 19' ' ' ASP . 87.3 m-85 -94.32 103.77 15.77 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.225 -177.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.503 HD23 HD13 ' A' ' 69' ' ' ILE . 4.3 mm? -97.09 -4.17 39.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.899 0.857 . . . . 0.0 108.728 171.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.84 -159.22 25.67 Favored Glycine 0 N--CA 1.441 -0.983 0 N-CA-C 109.771 -1.332 . . . . 0.0 109.771 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.7 tp -101.91 -28.34 12.46 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 176.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -92.43 -17.5 24.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.06 176.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.6 t -105.31 99.81 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.746 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.6 tp -125.59 100.7 6.57 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.747 -175.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.646 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 2.3 mp -84.64 101.78 9.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -109.64 119.84 40.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.107 0.479 . . . . 0.0 110.609 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.8 ptp -125.66 131.35 52.65 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.317 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.545 ' HB3' ' HB3' ' A' ' 89' ' ' HIS . 34.9 tt0 -97.84 104.26 16.27 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.534 HG22 ' HA ' ' A' ' 87' ' ' CYS . 4.0 pt -110.31 169.95 3.49 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.359 -168.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.557 ' HB2' HE21 ' A' ' 88' ' ' GLN . 23.2 t -120.04 136.89 54.4 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.629 178.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.567 ' HB3' ' HA ' ' A' ' 53' ' ' PRO . 62.2 tp -68.62 122.37 18.36 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.309 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.487 ' HB2' ' HG3' ' A' ' 86' ' ' GLU . . . -94.72 -56.32 2.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.897 0.38 . . . . 0.0 110.564 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 65.8 p-90 -144.19 147.45 33.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.77 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -130.34 122.91 28.78 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.785 177.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -132.03 103.08 6.09 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.649 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.3 t70 64.77 -84.45 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.228 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -128.47 -10.33 3.35 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.995 178.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 80.4 mt -85.31 116.2 23.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.932 0.396 . . . . 0.0 110.07 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 41.5 mt -113.58 114.66 26.78 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.206 -175.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -100.57 121.38 7.22 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 121.015 -0.612 . . . . 0.0 111.809 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.438 ' CB ' HD12 ' A' ' 73' ' ' ILE . 81.3 m-85 -113.7 148.52 36.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.73 0.3 . . . . 0.0 110.916 -178.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.487 ' HG3' ' HB2' ' A' ' 76' ' ' ALA . 50.6 mt-10 -108.89 150.09 28.19 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.88 174.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.534 ' HA ' HG22 ' A' ' 73' ' ' ILE . 11.7 p -73.91 119.21 17.82 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.999 -177.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.557 HE21 ' HB2' ' A' ' 74' ' ' SER . 3.0 tp-100 -105.94 -63.17 1.28 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.295 0.569 . . . . 0.0 110.014 -178.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.545 ' HB3' ' HB3' ' A' ' 72' ' ' GLU . 19.3 t60 -116.68 99.33 7.06 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.539 -0.755 . . . . 0.0 108.975 177.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.1 mt -96.72 124.82 49.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.037 -178.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -69.39 143.95 53.52 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.4 mp -60.01 -39.47 85.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.064 0.459 . . . . 0.0 110.582 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -69.24 -34.57 75.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.995 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 48.3 t -60.7 -46.74 89.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.151 176.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 64.4 mt -60.54 -44.81 97.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.363 178.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 100' ' ' ARG . 42.8 t -57.07 -57.78 11.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.342 -178.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -64.74 -33.67 76.51 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -175.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.97 -59.21 5.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.903 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 99' ' ' ARG . 24.5 ttt180 -68.98 -36.71 78.17 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.789 -179.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 96' ' ' SER . 0.0 OUTLIER -58.08 -42.81 86.38 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -178.547 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 57.3 tp -68.35 -52.21 35.82 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 121.056 -0.258 . . . . 0.0 110.895 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.641 HG21 HD21 ' A' ' 112' ' ' LEU . 61.0 t -64.7 -36.23 76.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 120.908 0.385 . . . . 0.0 111.723 -176.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -69.4 -52.2 29.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.169 -176.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.1 mp -70.38 -27.38 64.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.747 0.308 . . . . 0.0 111.139 -178.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -76.59 -13.62 60.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.205 0.526 . . . . 0.0 109.596 176.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.427 ' HA ' HD22 ' A' ' 106' ' ' LEU . 0.2 OUTLIER 64.22 43.86 4.68 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.781 -179.819 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -89.11 -2.76 77.13 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 174.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.6 t70 72.55 144.69 0.07 Allowed 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.807 0.843 . . . . 0.0 110.899 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -77.9 -8.06 57.58 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.221 -0.3 . . . . 0.0 110.719 -177.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -54.75 -39.74 68.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.199 0.523 . . . . 0.0 110.13 176.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 89.9 mt -70.78 -23.28 62.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.293 -178.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.641 HD21 HG21 ' A' ' 102' ' ' VAL . 94.8 mt -81.33 -21.71 39.01 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 122.143 -0.348 . . . . 0.0 110.371 178.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -110.48 23.66 13.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.715 -172.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 70.2 mtm180 -77.18 -169.17 1.28 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 173.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.458 ' O ' HD13 ' A' ' 119' ' ' LEU . 7.1 mm-40 -109.92 149.36 30.02 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 175.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 61.7 tp -54.25 -34.74 61.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.77 0.319 . . . . 0.0 110.781 175.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.4 -13.73 62.5 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.737 176.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 79.3 mt -96.33 -10.68 27.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.953 0.406 . . . . 0.0 110.533 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.559 ' HA ' ' NH1' ' A' ' 13' ' ' ARG . 9.8 mp -94.01 105.05 17.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.49 0.662 . . . . 0.0 110.277 -178.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.917 HG12 ' H ' ' A' ' 121' ' ' SER . 3.5 t -118.01 -164.17 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 114.743 -1.117 . . . . 0.0 108.957 -176.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.917 ' H ' HG12 ' A' ' 120' ' ' VAL . 72.7 m -90.53 172.22 8.86 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 122.449 0.299 . . . . 0.0 111.226 -177.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -47.14 -49.77 21.61 Favored 'General case' 0 C--O 1.233 0.201 0 O-C-N 123.727 0.642 . . . . 0.0 110.594 175.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -82.87 91.82 7.17 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.773 0.797 . . . . 0.0 109.287 170.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -68.77 -43.39 75.86 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.734 -175.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 38.6 t70 . . . . . 0 C--O 1.245 0.836 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.395 177.656 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 120.792 0.33 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 t -94.28 -43.06 8.6 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.386 -177.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -117.52 125.08 50.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.327 -0.397 . . . . 0.0 109.934 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -121.49 101.23 7.49 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.323 0.582 . . . . 0.0 112.279 -175.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -120.89 73.09 1.0 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 169.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -72.54 -3.58 25.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.431 -172.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -49.56 -40.67 39.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.852 0.358 . . . . 0.0 111.425 175.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -101.58 -4.12 27.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.547 -176.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 58.5 mtm180 -93.44 163.19 13.68 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -132.24 -148.8 0.36 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.903 -174.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -73.33 76.26 1.36 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.521 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.426 ' CD2' ' H ' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -72.51 96.71 1.98 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.453 0.644 . . . . 0.0 111.598 178.155 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -132.19 141.27 49.02 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.714 -1.13 . . . . 0.0 108.007 174.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.9 mm -82.21 89.12 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.985 0.898 . . . . 0.0 110.687 -175.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' A' ' 34' ' ' HIS . . . -171.03 126.54 0.69 Allowed 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 113.744 -1.571 . . . . 0.0 108.46 176.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.469 ' HD2' HD11 ' A' ' 63' ' ' LEU . 1.7 m-85 -94.11 9.35 38.14 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -174.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.8 t70 54.11 81.35 0.1 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.078 -177.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.513 ' HB1' ' O ' ' A' ' 62' ' ' TYR . . . -135.17 174.78 10.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.996 -172.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.544 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 8.9 m-20 -81.32 108.95 15.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.643 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.444 ' HB3' HD23 ' A' ' 61' ' ' LEU . 4.0 p -118.44 120.4 37.44 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.076 -177.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -115.68 136.53 52.97 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.066 178.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.528 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 84.9 mt -103.33 118.89 51.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 173.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.632 HD22 ' HG2' ' A' ' 28' ' ' ARG . 24.4 mt -99.05 113.61 25.89 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.476 -177.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.451 HE21 ' HB2' ' A' ' 55' ' ' ARG . 61.4 tt0 -93.07 79.94 4.55 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 173.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.91 -72.02 1.1 Allowed Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.045 -176.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -132.49 -20.11 2.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.822 0.344 . . . . 0.0 111.151 -177.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -91.13 129.64 37.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.153 0.501 . . . . 0.0 110.017 -176.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.632 ' HG2' HD22 ' A' ' 23' ' ' LEU . 24.7 mtt85 -109.4 121.76 45.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.223 -169.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 7.6 m-90 -108.4 123.34 48.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.761 176.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -80.37 103.2 10.07 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 174.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.809 HG23 ' HB2' ' A' ' 45' ' ' GLN . 7.1 p -105.69 161.04 5.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.194 -174.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.415 ' N ' HD12 ' A' ' 32' ' ' LEU . 6.2 mp -97.41 115.45 27.76 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 64.5 tp -60.29 138.54 57.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.028 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.668 ' HB2' ' HA ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -127.67 -79.15 0.58 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.083 -170.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.412 ' CG ' ' HA ' ' A' ' 121' ' ' SER . 5.7 m-20 -143.86 110.94 5.74 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -173.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.411 HG23 ' HB ' ' A' ' 41' ' ' ILE . 9.6 p -120.87 147.51 24.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.045 0.45 . . . . 0.0 112.077 -172.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.1 p -131.43 -179.32 5.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.645 176.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 61.2 mt -81.71 -1.35 46.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.287 0.565 . . . . 0.0 110.182 177.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.59 ' ND1' ' HA ' ' A' ' 115' ' ' GLU . 2.4 m170 -107.82 -16.03 14.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.684 0.754 . . . . 0.0 109.911 -173.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.483 ' HA2' ' SG ' ' A' ' 87' ' ' CYS . . . 165.93 165.55 23.47 Favored Glycine 0 N--CA 1.443 -0.866 0 CA-C-N 114.614 -1.175 . . . . 0.0 111.523 -171.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.411 ' HB ' HG23 ' A' ' 36' ' ' VAL . 11.1 tt -125.87 128.2 71.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.055 0.455 . . . . 0.0 111.039 -175.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.692 HD11 ' HB3' ' A' ' 82' ' ' LEU . 65.6 tp -104.13 121.17 42.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.391 175.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.668 ' HA ' ' HB2' ' A' ' 34' ' ' HIS . 15.7 m -124.76 170.57 14.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.584 178.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -128.57 124.81 4.79 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 111.126 -0.789 . . . . 0.0 111.126 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.809 ' HB2' HG23 ' A' ' 31' ' ' VAL . 27.4 tt0 -138.82 98.69 8.58 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 116.95 0.375 . . . . 0.0 111.052 -178.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -80.6 47.35 2.53 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.904 2.403 . . . . 0.0 111.477 175.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -129.42 171.62 12.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.76 -177.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.19 122.72 22.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.161 0.505 . . . . 0.0 110.113 177.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -127.66 146.86 50.41 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.212 -171.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -84.47 -78.49 0.24 Allowed 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.61 25.72 24.74 Favored Glycine 0 CA--C 1.5 -0.846 0 C-N-CA 119.925 -1.131 . . . . 0.0 112.044 171.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.482 ' OD1' ' HB2' ' A' ' 54' ' ' GLN . 31.2 t70 -72.63 112.42 15.01 Favored Pre-proline 0 C--N 1.319 -0.745 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 176.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.31 12.3 1.08 Allowed 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.584 2.19 . . . . 0.0 112.463 -174.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.482 ' HB2' ' OD1' ' A' ' 52' ' ' ASP . 14.8 mm100 -100.89 -5.83 25.54 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 173.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.482 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 15.5 mmt180 -110.47 107.11 58.3 Favored Pre-proline 0 N--CA 1.448 -0.558 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.038 178.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 55' ' ' ARG . 17.3 Cg_endo -58.84 134.86 63.08 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.701 2.268 . . . . 0.0 111.54 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -104.57 135.96 45.02 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.147 0.499 . . . . 0.0 110.739 -175.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.538 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 59.9 mm-40 -107.24 127.57 53.65 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.202 178.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.89 107.95 20.55 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 175.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -107.48 105.27 15.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.832 -178.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.712 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 61.8 mt -104.4 115.09 29.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.413 -175.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.544 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 87.5 m-85 -93.24 110.56 22.08 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.613 176.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.469 HD11 ' HD2' ' A' ' 16' ' ' PHE . 4.4 mm? -100.26 -19.97 16.12 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.352 0.596 . . . . 0.0 109.793 174.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -158.59 -158.62 9.14 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.963 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -81.21 -39.34 25.56 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -108.78 -21.81 12.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.373 . . . . 0.0 110.392 177.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.4 t -75.47 95.0 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.37 -177.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 61' ' ' LEU . 42.1 tp -117.61 130.45 56.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.218 -178.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.712 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 59.7 mt -110.12 114.01 45.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -120.71 139.79 52.56 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.918 0.39 . . . . 0.0 110.626 -176.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.3 ptp -147.67 136.14 21.67 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.157 177.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.496 ' HB3' ' HB3' ' A' ' 89' ' ' HIS . 30.4 tt0 -80.74 112.74 18.4 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 175.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.611 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 17.5 pt -121.45 145.67 27.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.341 0.591 . . . . 0.0 111.617 -175.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.6 t -112.3 136.98 51.08 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.521 -0.763 . . . . 0.0 108.979 176.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 37.1 tp -71.36 111.9 7.06 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.97 0.414 . . . . 0.0 110.927 -176.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -92.06 -46.57 7.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.058 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 -157.75 148.15 20.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.888 0.375 . . . . 0.0 111.084 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -142.81 121.65 12.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.558 175.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -145.64 139.9 26.95 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.048 -176.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.6 t70 66.91 -89.6 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.827 0.705 . . . . 0.0 110.927 178.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -143.28 7.23 2.04 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 175.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.692 ' HB3' HD11 ' A' ' 42' ' ' LEU . 96.8 mt -111.4 132.47 54.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.49 -0.355 . . . . 0.0 110.315 -176.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.9 mp -120.35 124.03 44.55 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.341 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.87 111.27 3.48 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 121.105 -0.569 . . . . 0.0 111.798 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.611 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 77.8 m-85 -102.31 146.48 27.97 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -96.7 133.21 41.52 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.483 ' SG ' ' HA2' ' A' ' 40' ' ' GLY . 83.0 m -86.62 113.34 22.42 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.327 -176.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -92.91 -61.09 1.65 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.721 0.296 . . . . 0.0 110.848 176.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.496 ' HB3' ' HB3' ' A' ' 72' ' ' GLU . 22.1 t60 -116.62 100.78 8.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.88 0.372 . . . . 0.0 110.575 -176.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 21.3 mt -101.66 128.09 54.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 175.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.475 ' O ' HG13 ' A' ' 95' ' ' ILE . 9.1 t70 -67.79 137.69 55.58 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -178.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.82 -30.65 70.97 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.118 0.261 . . . . 0.0 111.35 -177.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -67.16 -43.02 83.32 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 175.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.56 ' HB3' HG23 ' A' ' 69' ' ' ILE . 51.5 m -67.34 -38.84 85.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.934 178.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 91' ' ' ASP . 78.5 mt -58.66 -45.6 90.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 121.026 0.441 . . . . 0.0 110.021 174.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.9 m -62.24 -40.65 96.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.742 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -60.42 -51.17 70.62 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.839 0.352 . . . . 0.0 110.189 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -57.65 -58.96 6.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.718 -177.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -60.52 -49.02 79.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.76 -175.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.403 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 96.8 mtt180 -67.6 -40.54 84.73 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -175.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 44.8 tp -62.82 -42.94 99.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.884 0.373 . . . . 0.0 110.839 -177.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 54.5 t -71.37 -39.88 72.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.607 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -67.7 -39.69 84.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.143 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 77.5 mt -60.15 -33.6 72.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.85 0.357 . . . . 0.0 111.14 177.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -87.07 -30.08 21.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.07 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.13 32.74 19.61 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.421 0.629 . . . . 0.0 109.832 -177.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -81.57 52.68 4.59 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.631 -177.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 58.76 80.98 0.17 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.552 0.691 . . . . 0.0 111.499 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.25 2.68 42.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.801 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -67.68 -19.24 65.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.523 0.678 . . . . 0.0 110.314 177.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.464 HD22 HH21 ' A' ' 114' ' ' ARG . 61.2 mt -71.41 -35.43 71.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.606 -0.724 . . . . 0.0 112.044 -175.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.0 pp -87.1 5.17 39.04 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -170.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -115.16 21.4 14.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.163 0.506 . . . . 0.0 111.274 -177.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.489 ' HB2' HD12 ' A' ' 119' ' ' LEU . 34.6 mtt180 -79.96 -91.37 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 174.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.59 ' HA ' ' ND1' ' A' ' 39' ' ' HIS . 9.0 tp10 -179.84 161.05 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 178.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 61.6 tp -54.6 -50.58 67.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 118.132 0.424 . . . . 0.0 110.572 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.22 -4.0 36.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.992 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.2 mt -104.06 -7.83 19.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.677 0.275 . . . . 0.0 110.996 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.489 HD12 ' HB2' ' A' ' 114' ' ' ARG . 3.9 mp -92.63 116.59 29.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.219 0.533 . . . . 0.0 110.674 179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.3 p -107.8 136.14 44.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 115.414 -0.812 . . . . 0.0 108.864 176.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.412 ' HA ' ' CG ' ' A' ' 35' ' ' ASP . 56.7 p -65.21 171.67 3.6 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.252 -173.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -46.71 -33.28 4.19 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.083 172.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -86.51 98.8 11.26 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 169.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -104.29 134.03 48.2 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.347 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.664 -0.684 . . . . 0.0 109.852 178.984 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.476 ' HG3' ' H ' ' A' ' 3' ' ' ASP . 47.7 tpp . . . . . 0 N--CA 1.478 0.929 0 CA-C-O 120.796 0.331 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.4 p -80.23 27.54 0.33 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.228 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.476 ' H ' ' HG3' ' A' ' 1' ' ' MET . 9.9 t70 -162.32 -168.95 1.99 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -177.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -113.17 -64.72 1.27 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -168.81 125.35 0.97 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.295 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -75.99 -35.67 59.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.967 0.413 . . . . 0.0 110.268 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -80.82 124.39 29.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.982 178.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.5 mtm180 -104.39 0.2 28.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.3 178.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 75.38 114.9 0.06 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.757 170.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.7 ttm-85 -143.28 125.47 15.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.942 176.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -78.33 176.65 9.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.145 0.498 . . . . 0.0 111.539 -175.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.471 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 44.9 m80 -122.85 134.41 54.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.745 -178.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.526 ' HD2' ' HA2' ' A' ' 107' ' ' GLY . 14.7 mmt180 -75.79 -61.17 2.02 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 169.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.553 HG22 ' H ' ' A' ' 15' ' ' ALA . 26.5 mm -94.1 169.84 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.008 -0.996 . . . . 0.0 108.921 176.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.59 ' HA ' HD23 ' A' ' 33' ' ' LEU . . . 81.07 -43.04 0.18 Allowed 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.027 0.931 . . . . 0.0 110.488 -177.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 61.05 13.74 4.86 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.286 173.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 57.37 27.87 14.47 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.229 0.537 . . . . 0.0 110.56 -174.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.42 175.4 8.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.163 178.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.555 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 69.7 m-20 -95.76 127.53 41.87 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.232 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.2 p -127.88 133.32 49.31 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.246 -177.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -122.42 150.9 41.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.33 176.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.481 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 66.6 mt -114.18 129.7 69.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 172.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.528 HD11 ' HD2' ' A' ' 60' ' ' ARG . 63.8 mt -113.28 152.93 29.24 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.366 -174.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -147.03 92.33 2.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.297 -0.865 . . . . 0.0 108.883 171.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.15 -93.94 0.44 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.283 -174.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.58 2.29 10.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.845 0.355 . . . . 0.0 110.606 174.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -75.58 140.06 42.44 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 172.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.2 ptt-85 -146.18 119.22 8.79 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.025 0.44 . . . . 0.0 111.504 -177.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.497 ' HH2' ' HB2' ' A' ' 50' ' ' ASN . 29.9 m-90 -114.97 115.34 26.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.942 178.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -73.9 104.73 4.88 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 171.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.67 HG21 ' HG2' ' A' ' 45' ' ' GLN . 8.2 p -115.37 168.65 6.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.539 -167.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.478 ' H ' HG22 ' A' ' 31' ' ' VAL . 45.1 tp -90.32 111.53 22.78 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.21 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.59 HD23 ' HA ' ' A' ' 15' ' ' ALA . 45.3 tp -74.5 148.01 41.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.987 175.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -124.1 -80.53 0.62 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.808 0.337 . . . . 0.0 111.212 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.523 ' OD2' ' HA ' ' A' ' 121' ' ' SER . 5.4 m-20 -134.09 165.4 25.15 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -173.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.512 HG12 ' CG2' ' A' ' 14' ' ' ILE . 7.6 p -160.35 153.71 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.188 0.518 . . . . 0.0 111.577 -176.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.525 ' HA ' ' HA ' ' A' ' 112' ' ' LEU . 70.1 p -138.7 -178.9 5.52 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 172.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 69.5 mt -83.64 3.94 30.67 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.426 0.632 . . . . 0.0 109.621 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.559 ' ND1' ' HA ' ' A' ' 115' ' ' GLU . 1.6 m170 -117.21 -10.29 10.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.054 -174.145 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 168.11 156.16 9.99 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.405 -174.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.454 ' CG2' ' HB2' ' A' ' 85' ' ' PHE . 11.8 tt -122.19 145.26 29.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.592 0.234 . . . . 0.0 110.389 -178.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.8 HD11 ' HB3' ' A' ' 82' ' ' LEU . 47.2 tp -121.64 117.16 26.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.396 -177.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.7 m -120.19 171.09 9.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.738 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -121.94 113.56 2.29 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.221 177.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.67 ' HG2' HG21 ' A' ' 31' ' ' VAL . 21.5 mt-30 -113.3 145.88 34.15 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-O 120.441 0.162 . . . . 0.0 110.652 -176.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -62.56 -59.28 0.26 Allowed 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 122.622 2.215 . . . . 0.0 112.429 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 179.12 -41.38 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.239 -179.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -58.72 130.58 47.58 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.907 0.384 . . . . 0.0 111.344 -176.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.459 ' HE3' ' H ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -141.35 -179.6 6.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.986 -179.217 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.497 ' HB2' ' HH2' ' A' ' 29' ' ' TRP . 8.5 t30 -86.53 -60.32 2.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.332 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.99 -66.3 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 119.665 -1.255 . . . . 0.0 113.718 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.461 ' OD2' ' HB2' ' A' ' 54' ' ' GLN . 23.7 t70 -137.72 135.73 19.33 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-O 120.965 0.412 . . . . 0.0 111.87 -169.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 52' ' ' ASP . 35.6 Cg_exo -56.98 -18.64 29.01 Favored 'Trans proline' 0 CA--C 1.536 0.607 0 C-N-CA 124.58 3.52 . . . . 0.0 115.425 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.461 ' HB2' ' OD2' ' A' ' 52' ' ' ASP . 1.8 mp0 -85.01 8.93 16.07 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.562 0.696 . . . . 0.0 110.426 -174.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -94.99 141.42 23.23 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.22 178.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -70.73 104.53 1.49 Allowed 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.762 2.308 . . . . 0.0 112.519 -178.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -95.82 150.57 20.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.645 179.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.481 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 27.2 mt-10 -115.54 136.17 53.35 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 120.867 0.365 . . . . 0.0 111.647 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.423 ' HB3' ' CG ' ' A' ' 71' ' ' MET . . . -99.5 112.55 24.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.47 173.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.528 ' HD2' HD11 ' A' ' 23' ' ' LEU . 18.2 ttt180 -106.47 105.33 15.32 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.4 -176.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.663 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 67.9 mt -103.53 119.83 39.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.996 0.427 . . . . 0.0 110.977 -175.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.555 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 84.2 m-85 -94.03 104.84 16.87 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.026 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.8 tp -98.09 -14.76 20.29 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 173.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -165.0 -167.57 25.8 Favored Glycine 0 N--CA 1.44 -1.053 0 CA-C-N 113.753 -1.567 . . . . 0.0 109.196 174.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 65.4 mt -86.24 -29.31 23.23 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 117.697 0.749 . . . . 0.0 110.462 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -113.39 -9.04 13.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.343 175.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.9 t -93.25 88.11 2.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.441 HD11 ' CG ' ' A' ' 60' ' ' ARG . 50.7 tp -112.53 120.21 40.83 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.966 -175.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.663 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 25.6 mt -98.89 106.67 19.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 174.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.64 147.65 42.69 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.79 -178.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.423 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 19.2 ptm -149.11 134.55 18.5 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.435 -179.132 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -90.6 118.13 29.8 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.532 HG22 ' HA ' ' A' ' 87' ' ' CYS . 8.7 pt -128.41 156.95 40.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.232 0.539 . . . . 0.0 111.947 -170.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.4 p -119.46 115.85 24.91 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.481 178.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 55.6 tp -58.18 120.3 8.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.09 0.471 . . . . 0.0 111.039 -177.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -97.79 -57.21 2.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.011 -177.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 -140.96 149.78 42.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.014 0.435 . . . . 0.0 111.319 -176.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -134.15 114.71 13.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.708 176.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -127.35 120.88 29.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.759 0.314 . . . . 0.0 111.261 -176.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.5 t70 65.96 -87.01 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.092 177.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -138.08 2.65 2.97 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.778 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.8 ' HB3' HD11 ' A' ' 42' ' ' LEU . 93.8 mt -109.45 127.24 54.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.878 0.371 . . . . 0.0 110.137 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.7 mp -117.23 129.09 55.7 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.706 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -104.76 121.51 6.97 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.121 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.519 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 34.6 m-85 -107.14 139.26 41.85 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.963 0.411 . . . . 0.0 110.38 -179.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -83.53 132.8 34.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.596 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.816 ' HB3' HD11 ' A' ' 90' ' ' ILE . 75.7 m -82.97 111.11 18.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.327 -176.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -90.96 -66.2 0.95 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.241 178.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -126.89 115.38 19.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.545 -175.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.816 HD11 ' HB3' ' A' ' 87' ' ' CYS . 3.6 mp -117.59 122.78 70.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 171.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.462 ' O ' HG13 ' A' ' 95' ' ' ILE . 10.9 m-20 -69.35 156.75 38.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.754 0.311 . . . . 0.0 111.436 -173.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 71.5 mt -56.51 -54.03 50.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.234 -171.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -69.6 -29.45 66.97 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 -179.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.9 t -64.78 -44.63 89.37 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 91' ' ' ASP . 75.5 mt -57.84 -48.68 83.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.317 176.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.7 t -63.66 -38.12 89.93 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.711 -178.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -57.49 -53.99 51.95 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.917 0.389 . . . . 0.0 110.639 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.427 ' O ' HG23 ' A' ' 102' ' ' VAL . 2.1 tm? -63.5 -46.95 83.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.08 -178.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 99' ' ' ARG . 10.9 ttp180 -57.12 -51.81 67.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.411 -179.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.46 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 18.0 tpp85 -64.01 -34.17 77.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.786 -177.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 49.7 tp -65.49 -39.24 91.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.346 177.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.522 HG21 HD11 ' A' ' 112' ' ' LEU . 80.8 t -64.92 -36.62 78.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.643 177.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -63.98 -42.43 97.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.854 178.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 91.8 mt -68.49 -41.41 80.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.508 -177.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -93.66 -2.74 53.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.875 -175.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.7 mp 56.08 50.42 13.72 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.145 0.498 . . . . 0.0 110.15 -175.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.526 ' HA2' ' HD2' ' A' ' 13' ' ' ARG . . . -71.34 5.05 10.55 Favored Glycine 0 CA--C 1.522 0.472 0 CA-C-N 115.391 -0.822 . . . . 0.0 113.89 -176.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 71.32 108.23 0.06 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.534 0.683 . . . . 0.0 112.45 176.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -61.42 -21.96 64.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.85 175.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.605 ' O ' ' HG3' ' A' ' 114' ' ' ARG . 52.7 mt-10 -53.58 -44.58 69.46 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.779 177.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 46.5 mt -66.96 -41.83 86.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.724 -178.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.525 ' HA ' ' HA ' ' A' ' 37' ' ' SER . 93.0 mt -68.55 -27.42 66.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.866 -0.607 . . . . 0.0 112.186 -173.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -114.51 22.96 13.17 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.878 0.695 . . . . 0.0 112.878 -170.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.605 ' HG3' ' O ' ' A' ' 110' ' ' GLU . 58.3 mtm180 -84.6 -94.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 119.951 -0.699 . . . . 0.0 109.517 171.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.559 ' HA ' ' ND1' ' A' ' 39' ' ' HIS . 0.8 OUTLIER -178.47 165.99 1.78 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 174.458 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.45 ' H ' ' CD ' ' A' ' 115' ' ' GLU . 52.7 tp -64.63 -41.72 95.97 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 175.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.91 -10.59 59.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 177.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.51 HD12 ' HB2' ' A' ' 115' ' ' GLU . 95.3 mt -106.38 3.47 27.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.422 178.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 119' ' ' LEU . 4.7 tp -95.32 120.37 35.44 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.305 0.574 . . . . 0.0 111.47 -171.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 39.0 t -107.46 149.81 10.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 176.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.523 ' HA ' ' OD2' ' A' ' 35' ' ' ASP . 8.3 t -74.9 168.88 19.06 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.18 -178.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -44.58 -38.61 4.35 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.875 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -92.63 90.56 7.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.752 0.787 . . . . 0.0 109.754 175.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -77.82 122.97 26.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.776 178.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 34.7 t70 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.672 -0.68 . . . . 0.0 110.449 -173.759 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.477 0.888 0 CA-C-O 121.323 0.582 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.2 m -141.74 22.43 2.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.558 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -173.8 -28.74 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.451 -175.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -66.14 102.68 0.85 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.693 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -139.58 159.59 41.81 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -178.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -50.96 -44.2 60.55 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.438 0.637 . . . . 0.0 109.99 177.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -74.7 109.11 7.9 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.315 172.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -106.75 -59.85 1.75 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.217 -179.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.467 ' NH2' ' HB3' ' A' ' 106' ' ' LEU . 18.0 mmt180 -136.05 101.51 4.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.69 178.068 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -93.54 9.77 35.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.212 0.53 . . . . 0.0 110.978 -177.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -146.07 106.2 4.03 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.26 177.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -104.33 54.93 0.72 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.182 0.515 . . . . 0.0 111.259 -174.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.738 ' HA ' HD11 ' A' ' 111' ' ' LEU . 36.7 mtt85 -144.85 136.76 25.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.522 178.05 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.541 HG12 HD13 ' A' ' 111' ' ' LEU . 7.3 pt -95.17 89.13 2.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.572 0.701 . . . . 0.0 110.96 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.68 86.77 2.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.226 175.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -88.74 154.34 20.36 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.914 -176.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -78.49 93.04 4.71 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.69 0.757 . . . . 0.0 110.912 -178.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.46 167.87 20.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.81 177.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -101.01 133.26 45.77 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 177.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.5 t -131.04 121.48 25.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.027 0.441 . . . . 0.0 111.698 -174.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -111.8 137.75 49.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.322 174.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.0 mt -110.61 122.02 64.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 170.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 mt -114.18 175.93 5.26 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.71 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.56 40.36 0.51 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.625 0.726 . . . . 0.0 110.144 171.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.99 -42.41 3.15 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.386 -0.824 . . . . 0.0 113.282 -178.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -118.25 -48.35 2.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 117.614 0.707 . . . . 0.0 111.035 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 64.8 mtt-85 -82.84 149.9 26.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.767 179.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.425 ' O ' ' HG3' ' A' ' 28' ' ' ARG . 6.9 ptp180 -140.98 131.71 25.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.215 171.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 48.8 p90 -143.05 133.99 25.52 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.988 0.423 . . . . 0.0 111.119 175.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -86.0 130.59 34.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.789 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.3 p -133.78 155.08 39.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -173.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.413 ' N ' HD12 ' A' ' 32' ' ' LEU . 5.5 mp -91.23 142.18 28.0 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.974 0.416 . . . . 0.0 111.151 -177.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 64.0 tp -75.2 145.98 41.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.265 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -129.98 -48.69 1.12 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.641 0.258 . . . . 0.0 110.561 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -158.43 165.46 34.6 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 108.401 -0.962 . . . . 0.0 108.401 175.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.1 p -162.96 139.07 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.3 0.572 . . . . 0.0 111.734 -175.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.7 p -119.89 -172.89 2.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.959 177.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.404 ' HB2' ' HB3' ' A' ' 112' ' ' LEU . 3.9 tt -85.62 1.36 49.5 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.763 0.792 . . . . 0.0 109.05 173.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.689 ' CE1' ' HA ' ' A' ' 115' ' ' GLU . 2.1 m170 -101.34 -47.36 4.72 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 -175.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 85' ' ' PHE . . . -165.76 -168.67 28.28 Favored Glycine 0 N--CA 1.44 -1.09 0 CA-C-N 114.746 -1.116 . . . . 0.0 111.472 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.1 tt -127.79 146.19 33.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.601 0.2 . . . . 0.0 110.833 -175.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 50.3 tp -116.26 121.34 41.73 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.814 0.34 . . . . 0.0 110.282 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.9 m -129.43 170.09 19.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.243 -177.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -114.59 111.31 2.52 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 176.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.485 ' HB3' HD13 ' A' ' 83' ' ' LEU . 8.4 tt0 -123.88 113.59 28.41 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-O 120.734 0.302 . . . . 0.0 111.254 -171.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -88.2 29.89 0.45 Allowed 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 123.079 2.519 . . . . 0.0 112.271 177.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.789 ' HG2' ' H ' ' A' ' 48' ' ' ASP . 5.3 tt0 -109.78 -164.22 0.92 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.771 -176.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.789 ' H ' ' HG2' ' A' ' 47' ' ' GLN . 13.5 t70 -135.04 179.7 6.15 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -113.7 173.21 6.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.199 0.524 . . . . 0.0 111.938 -174.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -82.88 -72.53 0.44 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.181 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -143.12 -59.34 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.056 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -135.15 150.75 73.73 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-O 120.674 0.273 . . . . 0.0 111.288 -178.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.428 ' HB3' ' HB3' ' A' ' 75' ' ' LEU . 78.4 Cg_endo -79.06 17.49 1.18 Allowed 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 123.081 2.521 . . . . 0.0 111.685 174.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -90.92 2.21 56.4 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.963 0.887 . . . . 0.0 108.799 178.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.459 ' HD3' ' HA ' ' A' ' 55' ' ' ARG . 24.8 mmt85 -105.2 123.22 40.4 Favored Pre-proline 0 N--CA 1.442 -0.84 0 CA-C-N 114.566 -1.197 . . . . 0.0 109.601 176.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -45.97 128.14 11.15 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 124.05 3.167 . . . . 0.0 114.199 -174.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -106.21 136.64 45.57 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 173.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -120.09 112.51 19.21 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.972 -0.455 . . . . 0.0 111.516 -174.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.32 121.14 38.87 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.771 0.319 . . . . 0.0 110.621 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -111.59 119.95 40.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.152 177.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.763 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 96.1 mt -99.81 111.58 23.9 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.666 177.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.414 ' CE1' HD11 ' A' ' 68' ' ' LEU . 72.9 m-85 -88.52 102.81 15.29 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.712 -178.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.41 -7.76 30.98 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 174.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.91 -176.89 48.2 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.808 178.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.2 mt -78.85 -20.07 50.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.175 0.512 . . . . 0.0 110.223 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.7 -37.84 8.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.717 177.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.9 t -84.8 91.78 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.994 -176.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.414 HD11 ' CE1' ' A' ' 62' ' ' TYR . 3.6 mm? -104.65 107.79 18.91 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.197 176.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.763 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 57.0 mt -93.98 92.62 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 177.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.539 ' HD3' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -102.34 127.25 49.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.18 0.514 . . . . 0.0 110.699 -178.331 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.0 ptm -125.64 125.41 43.07 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.109 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -83.97 119.3 24.74 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.695 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.662 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 10.8 pt -130.27 161.09 40.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.398 0.618 . . . . 0.0 111.971 -170.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.3 p -130.94 137.86 49.48 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 171.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.453 HD11 ' HB3' ' A' ' 83' ' ' LEU . 7.4 tp -67.75 110.92 3.98 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.062 0.458 . . . . 0.0 110.799 -176.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -113.99 -8.28 13.08 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.597 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.583 ' HB2' HD21 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -132.57 149.0 52.38 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-O 121.616 0.722 . . . . 0.0 110.16 -177.104 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -162.27 116.18 1.81 Allowed 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 114.17 -1.377 . . . . 0.0 110.002 -179.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.548 ' HB2' ' CZ3' ' A' ' 77' ' ' TRP . 1.7 tpm_? -135.85 74.16 1.49 Allowed 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.813 -177.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.6 t70 66.41 -83.28 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.004 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -116.99 -9.62 10.58 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.009 -0.615 . . . . 0.0 111.792 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.527 HD13 ' HB2' ' A' ' 121' ' ' SER . 44.8 mt -105.1 113.17 26.6 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.485 HD13 ' HB3' ' A' ' 45' ' ' GLN . 4.9 mp -121.19 144.74 48.43 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.996 -174.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.467 ' H ' ' HB3' ' A' ' 77' ' ' TRP . . . -121.54 142.29 15.18 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.89 -177.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.662 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 61.8 m-85 -118.31 129.35 55.4 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 -178.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -82.53 129.21 34.88 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 175.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.808 ' SG ' HG12 ' A' ' 90' ' ' ILE . 18.1 t -84.4 124.11 30.95 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.244 0.545 . . . . 0.0 110.987 -173.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -88.32 -49.04 7.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.009 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -129.19 115.4 17.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.75 -177.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.808 HG12 ' SG ' ' A' ' 87' ' ' CYS . 0.6 OUTLIER -113.63 115.89 51.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 173.887 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.483 ' HB2' ' OG ' ' A' ' 94' ' ' SER . 22.2 m-20 -69.08 148.28 50.25 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.076 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.43 -38.98 91.83 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.042 -174.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -65.36 -38.9 91.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.089 178.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.483 ' OG ' ' HB2' ' A' ' 91' ' ' ASP . 2.3 m -58.41 -49.9 75.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.26 176.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 62.2 mt -61.33 -39.06 81.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.805 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.42 ' O ' ' HG3' ' A' ' 100' ' ' ARG . 26.4 m -64.14 -40.77 96.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.849 -179.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -60.34 -43.97 95.95 Favored 'General case' 0 CA--C 1.521 -0.157 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 176.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.11 -53.77 53.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 178.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -58.43 -45.01 89.34 Favored 'General case' 0 C--O 1.223 -0.294 0 C-N-CA 121.024 -0.27 . . . . 0.0 111.417 -178.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' A' ' 96' ' ' SER . 44.3 mtp180 -64.39 -42.8 95.93 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.072 -178.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 43.1 tp -62.54 -42.81 99.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.907 0.384 . . . . 0.0 110.609 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.22 -38.44 77.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.006 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -68.92 -44.38 73.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.18 -178.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.7 mp -63.14 -38.23 90.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.904 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -81.79 -19.09 41.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.581 176.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.467 ' HB3' ' NH2' ' A' ' 9' ' ' ARG . 19.4 tp 59.86 35.92 21.9 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.845 -177.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -100.29 64.52 0.6 Allowed Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.471 -0.786 . . . . 0.0 113.244 -174.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 64.28 97.06 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 173.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -68.36 -32.45 72.55 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.81 0.814 . . . . 0.0 109.145 172.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -68.53 -8.16 38.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.385 -1.28 . . . . 0.0 111.678 -175.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.738 HD11 ' HA ' ' A' ' 13' ' ' ARG . 6.4 tt -64.45 -41.0 96.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.107 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.404 ' HB3' ' HB2' ' A' ' 38' ' ' LEU . 93.4 mt -67.66 -21.13 65.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.508 -177.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -76.3 -24.03 54.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.316 -177.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.659 ' NH2' ' HG ' ' A' ' 111' ' ' LEU . 22.1 mtm180 -68.09 146.66 53.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.916 0.388 . . . . 0.0 110.008 -179.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.689 ' HA ' ' CE1' ' A' ' 39' ' ' HIS . 0.3 OUTLIER -83.56 159.42 21.65 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.779 -172.513 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.583 HD21 ' HB2' ' A' ' 77' ' ' TRP . 23.8 tp -59.67 -37.69 79.47 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 175.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.82 -22.58 65.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.109 176.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.412 HD12 ' H ' ' A' ' 115' ' ' GLU . 58.7 mt -88.37 -9.12 53.75 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.857 0.36 . . . . 0.0 110.62 178.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.469 HD13 ' O ' ' A' ' 115' ' ' GLU . 4.3 mp -101.87 107.33 18.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.614 -174.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.757 HG22 ' HB3' ' A' ' 124' ' ' ASP . 3.2 p -91.2 167.4 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 169.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.527 ' HB2' HD13 ' A' ' 82' ' ' LEU . 32.7 t -64.19 157.94 24.39 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 178.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -45.99 -41.54 11.94 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.241 0.543 . . . . 0.0 110.339 176.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 20.8 t-160 -126.02 95.8 4.53 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.827 170.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.757 ' HB3' HG22 ' A' ' 120' ' ' VAL . 22.0 t70 -152.05 85.72 1.29 Allowed 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 164.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 33.4 t70 . . . . . 0 C--O 1.249 1.058 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.311 -173.544 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptm . . . . . 0 N--CA 1.484 1.259 0 CA-C-O 121.03 0.443 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 m -91.29 -167.32 1.77 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.393 -177.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 4' ' ' GLN . 1.7 m-20 -57.71 102.76 0.1 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.747 0.308 . . . . 0.0 110.244 176.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.471 ' HB2' ' O ' ' A' ' 3' ' ' ASP . 33.1 tt0 167.62 -40.83 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.53 -172.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -120.45 19.07 12.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.916 -176.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -81.51 12.01 4.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.28 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -52.09 -33.64 40.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.98 -173.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -100.72 13.46 34.81 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -169.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -145.74 140.92 27.55 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.171 -178.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -120.77 155.79 33.24 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 174.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -100.28 160.39 14.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.725 0.297 . . . . 0.0 110.651 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -97.53 95.44 7.63 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.268 0.556 . . . . 0.0 111.007 -178.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.5 mtt180 -130.85 153.72 48.81 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 176.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.477 ' O ' ' HA ' ' A' ' 35' ' ' ASP . 47.7 mm -91.01 97.41 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.336 0.589 . . . . 0.0 111.399 -175.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -154.48 114.25 3.79 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.828 175.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -105.32 176.08 5.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.075 -177.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -96.44 28.6 3.24 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 175.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.85 133.95 38.06 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.598 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.445 ' HB3' ' HB2' ' A' ' 62' ' ' TYR . 22.6 t70 -71.28 126.82 30.63 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 176.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 m -122.59 120.2 33.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.999 0.428 . . . . 0.0 111.58 -173.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -117.64 119.33 34.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.517 174.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.594 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 1.7 mp -103.42 120.05 52.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 171.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.48 HD23 ' CB ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -138.66 169.4 17.85 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.068 0.461 . . . . 0.0 112.071 -169.785 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -129.45 43.78 3.08 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.392 -0.822 . . . . 0.0 108.826 171.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.51 -100.08 2.42 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.75 -175.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -81.1 17.93 1.16 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.226 0.536 . . . . 0.0 112.105 -173.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.1 tpm_? -143.91 101.32 3.72 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.331 176.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.48 ' CB ' HD23 ' A' ' 23' ' ' LEU . 15.4 ptp180 -93.24 136.46 33.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.408 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.433 ' HB2' ' O ' ' A' ' 22' ' ' ILE . 9.5 m-90 -116.67 94.65 4.69 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.476 170.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -67.46 104.84 1.64 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 175.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.579 HG11 HD13 ' A' ' 22' ' ' ILE . 9.9 p -118.5 166.06 13.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.294 -167.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.6 mt -96.43 127.01 42.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.2 tp -66.75 139.05 57.79 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -130.73 -28.97 1.97 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -176.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.477 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 4.5 t70 -178.76 170.09 1.59 Allowed 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 169.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.6 p -164.69 148.14 2.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.19 0.519 . . . . 0.0 111.336 -175.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.4 p -139.16 -173.01 3.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.862 177.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.0 tp -90.07 9.46 28.05 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.63 0.729 . . . . 0.0 109.504 176.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.582 ' ND1' ' HA ' ' A' ' 115' ' ' GLU . 6.5 m170 -113.56 -5.29 13.43 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.829 0.824 . . . . 0.0 109.211 -178.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 148.64 -172.2 28.86 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 114.35 -1.295 . . . . 0.0 112.052 -175.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.9 tt -134.48 151.92 32.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -173.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.916 ' HG ' HD12 ' A' ' 82' ' ' LEU . 32.6 tp -130.03 106.6 8.74 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.096 0.474 . . . . 0.0 110.05 -178.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.6 m -113.14 169.02 5.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.973 -178.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 81' ' ' GLY . . . -117.53 111.61 2.27 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.708 -177.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.684 ' HB2' HD11 ' A' ' 83' ' ' LEU . 45.1 tp60 -87.91 133.79 36.71 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 -178.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 45' ' ' GLN . 43.5 Cg_exo -57.11 -71.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.454 2.103 . . . . 0.0 112.242 177.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -151.26 -53.15 0.13 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.743 0.306 . . . . 0.0 110.728 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -63.9 115.22 4.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.057 -177.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.561 ' HB2' ' HG2' ' A' ' 45' ' ' GLN . 71.9 t-105 -159.52 149.33 18.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.682 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.423 ' OD1' ' HD3' ' A' ' 55' ' ' ARG . 0.7 OUTLIER -75.13 -69.01 0.5 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.868 179.512 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.57 ' O ' ' HD3' ' A' ' 53' ' ' PRO . . . 111.07 8.14 24.15 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 119.987 -1.101 . . . . 0.0 114.254 171.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.609 ' HB2' ' HD3' ' A' ' 55' ' ' ARG . 14.7 m-20 -91.62 110.28 42.24 Favored Pre-proline 0 CA--C 1.516 -0.349 0 CA-C-N 117.398 0.599 . . . . 0.0 110.744 176.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.57 ' HD3' ' O ' ' A' ' 51' ' ' GLY . 23.8 Cg_exo -63.42 -11.12 24.27 Favored 'Trans proline' 0 CA--C 1.529 0.258 0 C-N-CA 122.92 2.413 . . . . 0.0 111.477 171.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -84.61 -13.1 52.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.705 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.609 ' HD3' ' HB2' ' A' ' 52' ' ' ASP . 20.6 mtp180 -95.0 126.71 45.71 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.299 -179.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.42 150.6 46.7 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.65 2.233 . . . . 0.0 112.038 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.46 ' HB3' HG23 ' A' ' 22' ' ' ILE . 64.3 m-85 -135.83 147.97 48.5 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.22 -177.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.594 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 36.1 mt-10 -113.03 133.69 54.86 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -112.17 119.41 38.29 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.825 0.345 . . . . 0.0 110.911 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.537 ' HB3' HD11 ' A' ' 68' ' ' LEU . 17.0 mtm180 -114.54 112.89 23.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.222 174.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.689 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 65.3 mt -100.82 115.27 29.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.123 179.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.445 ' HB2' ' HB3' ' A' ' 19' ' ' ASP . 64.0 m-85 -90.54 114.15 26.3 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.074 -177.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -113.12 1.6 15.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.323 0.582 . . . . 0.0 109.733 175.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.98 -165.94 36.32 Favored Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.4 mt -83.38 -39.65 20.4 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 117.179 0.489 . . . . 0.0 110.187 178.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -96.92 -29.21 13.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.182 176.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.2 t -80.39 90.24 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.616 -176.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' ' 60' ' ' ARG . 65.7 tp -117.86 111.77 19.48 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.037 178.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.689 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 56.8 mt -86.98 99.38 8.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.9 ptt180 -98.18 142.48 29.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.089 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.8 ptm -149.02 130.98 15.24 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.626 174.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.475 ' HB2' ' HB3' ' A' ' 89' ' ' HIS . 36.5 mt-10 -91.5 124.71 35.88 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -179.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.69 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 9.2 pt -133.73 160.26 42.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.332 0.587 . . . . 0.0 111.904 -169.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 65.7 m -124.97 137.77 54.25 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.832 171.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.55 ' HB3' ' HA ' ' A' ' 53' ' ' PRO . 60.8 tp -64.59 126.04 26.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.298 -178.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.527 ' HB2' ' HG3' ' A' ' 86' ' ' GLU . . . -103.38 -48.28 4.04 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.946 0.403 . . . . 0.0 110.724 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 42.8 p-90 -151.89 147.34 26.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.514 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -137.78 117.17 12.8 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.245 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -131.59 122.67 26.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.732 -178.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 62.53 -88.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.068 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.41 ' O ' ' HA2' ' A' ' 44' ' ' GLY . . . -128.85 -15.11 2.18 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.324 179.136 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.916 HD12 ' HG ' ' A' ' 42' ' ' LEU . 3.9 mm? -87.3 122.3 30.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.304 0.573 . . . . 0.0 111.163 -176.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.684 HD11 ' HB2' ' A' ' 45' ' ' GLN . 38.7 mt -106.57 116.03 31.23 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.183 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -97.21 118.68 6.14 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.842 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.69 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 91.4 m-85 -114.01 136.56 52.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.399 0.142 . . . . 0.0 110.919 -178.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.527 ' HG3' ' HB2' ' A' ' 76' ' ' ALA . 51.6 mt-10 -85.57 135.01 33.99 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 173.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.549 ' HA ' HG22 ' A' ' 73' ' ' ILE . 26.3 p -81.05 128.65 33.95 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.485 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -105.24 -46.9 4.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.951 0.405 . . . . 0.0 110.685 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 72' ' ' GLU . 53.2 t60 -125.85 114.51 18.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.31 177.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.6 mp -121.87 106.36 17.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 176.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.404 ' O ' HG13 ' A' ' 95' ' ' ILE . 5.3 m-20 -59.69 144.16 48.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.558 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 85.6 mt -61.68 -34.69 76.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.114 0.483 . . . . 0.0 109.753 178.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -62.76 -45.45 92.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.625 174.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 39.1 m -60.79 -43.77 97.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.773 177.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 91' ' ' ASP . 73.0 mt -60.07 -45.17 95.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.37 177.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.495 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 50.5 m -57.45 -50.93 71.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.799 178.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -53.81 -50.86 65.21 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.749 0.309 . . . . 0.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 51.1 tp -63.67 -50.26 69.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.327 -175.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 40.9 ttt85 -66.0 -42.15 90.11 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.5 -175.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.495 ' HG2' ' O ' ' A' ' 96' ' ' SER . 30.2 mmm180 -63.39 -40.0 96.04 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.221 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.62 -46.68 89.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.714 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.514 HG21 HD11 ' A' ' 112' ' ' LEU . 99.0 t -67.09 -39.73 83.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.275 -179.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -66.84 -45.12 79.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.795 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 100' ' ' ARG . 10.8 mp -70.36 -9.87 57.44 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.874 -177.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -111.0 -5.41 14.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.019 176.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 20.0 tp 59.94 43.13 15.17 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.333 0.587 . . . . 0.0 110.609 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -91.29 16.54 58.61 Favored Glycine 0 C--O 1.229 -0.202 0 C-N-CA 120.957 -0.639 . . . . 0.0 113.36 -175.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 68.81 116.55 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.499 0.666 . . . . 0.0 112.14 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -71.9 -20.69 61.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.826 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -59.68 -35.4 74.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.87 -175.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 71.2 mt -65.64 -26.98 68.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.279 -177.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.514 HD11 HG21 ' A' ' 102' ' ' VAL . 87.7 mt -77.44 -12.63 59.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.06 -177.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.409 ' HA ' ' CE1' ' A' ' 39' ' ' HIS . 14.7 mt-10 -127.84 38.28 4.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.897 0.379 . . . . 0.0 111.677 -174.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.77 HH11 ' HG ' ' A' ' 119' ' ' LEU . 33.4 mtt180 -70.21 -100.66 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 167.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.626 ' HB3' ' HG ' ' A' ' 118' ' ' LEU . 9.2 tp10 -179.2 152.81 0.56 Allowed 'General case' 0 C--O 1.22 -0.489 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 171.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.62 -39.35 76.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 119.328 0.967 . . . . 0.0 110.17 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -74.92 -7.35 53.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.357 177.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.626 ' HG ' ' HB3' ' A' ' 115' ' ' GLU . 84.4 mt -105.97 -10.2 16.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 178.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.77 ' HG ' HH11 ' A' ' 114' ' ' ARG . 1.2 mp -90.31 110.32 21.39 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.565 0.698 . . . . 0.0 111.856 -173.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 44.0 t -102.73 151.43 6.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 169.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.524 ' HB2' HD11 ' A' ' 82' ' ' LEU . 40.9 t -61.41 163.24 6.9 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 120.819 0.342 . . . . 0.0 111.64 -176.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -43.34 -38.9 2.88 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.14 166.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -83.51 87.59 7.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.248 174.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -107.6 -20.6 13.18 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 172.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 . . . . . 0 C--O 1.246 0.904 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.409 -176.438 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.2 mtm . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.765 0.317 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 t -153.99 -78.61 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 174.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.489 ' OD1' ' HG3' ' A' ' 4' ' ' GLN . 2.2 p-10 -160.36 -75.18 0.07 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.263 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.489 ' HG3' ' OD1' ' A' ' 3' ' ' ASP . 4.8 pp0? -97.94 178.81 5.0 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 167.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 22.7 p80 -165.56 153.86 11.35 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.231 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -73.48 151.61 40.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.536 170.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -94.14 123.52 37.57 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 175.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 -84.06 88.93 7.19 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.274 0.559 . . . . 0.0 110.278 -176.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.506 ' C ' ' HD2' ' A' ' 10' ' ' ARG . 99.3 mtt180 -92.33 101.6 14.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.792 -175.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.506 ' HD2' ' C ' ' A' ' 9' ' ' ARG . 3.2 mpt_? -117.87 -101.3 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 175.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -77.08 125.13 28.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.926 0.393 . . . . 0.0 109.968 177.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 42.6 p-80 -147.3 71.82 1.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.203 -178.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.631 HH21 ' HA ' ' A' ' 125' ' ' ASP . 5.4 mpt_? 60.35 -164.75 0.22 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.486 -174.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.685 ' O ' ' HA ' ' A' ' 35' ' ' ASP . 50.4 mm -92.27 89.2 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 C-N-CA 119.381 -0.927 . . . . 0.0 109.467 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.14 102.99 2.99 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.555 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -86.57 161.09 18.72 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -82.32 84.09 7.24 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 174.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.438 ' HB2' HD13 ' A' ' 63' ' ' LEU . . . -135.19 145.39 47.66 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.597 -174.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.411 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 7.7 m-20 -67.88 120.14 13.69 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 176.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.2 m -112.78 109.22 18.56 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.845 0.355 . . . . 0.0 110.818 -176.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -111.47 122.95 49.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.988 0.423 . . . . 0.0 111.167 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.477 HD11 HG11 ' A' ' 43' ' ' VAL . 1.8 mp -96.87 113.35 31.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 172.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.533 ' HB2' ' HB2' ' A' ' 58' ' ' GLU . 40.9 mt -94.61 137.91 33.13 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.632 -175.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.467 ' HB3' ' HZ3' ' A' ' 29' ' ' TRP . 8.6 tt0 -116.05 79.06 1.25 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 170.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.38 -83.54 0.76 Allowed Glycine 0 N--CA 1.443 -0.837 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.387 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -117.23 -5.63 11.33 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -174.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -114.17 152.34 31.33 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 121.151 -0.22 . . . . 0.0 110.489 -176.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -125.36 127.93 47.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.268 0.556 . . . . 0.0 111.798 -171.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.467 ' HZ3' ' HB3' ' A' ' 24' ' ' GLN . 10.9 m-90 -109.8 99.62 8.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.869 176.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -77.17 115.47 16.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.149 176.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.455 HG22 ' H ' ' A' ' 32' ' ' LEU . 9.8 p -136.93 169.58 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.727 -171.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.455 ' H ' HG22 ' A' ' 31' ' ' VAL . 55.1 tp -90.42 137.11 32.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.839 0.352 . . . . 0.0 111.028 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.9 tp -85.19 152.7 23.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.518 178.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -128.45 -38.46 1.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.777 -0.192 . . . . 0.0 111.478 176.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.685 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 10.8 t70 -164.65 157.65 17.05 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 174.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.6 p -156.94 138.88 5.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.888 0.375 . . . . 0.0 110.726 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.6 m -148.0 -169.38 3.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.074 0.464 . . . . 0.0 110.878 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 62.5 tp -69.75 -21.38 63.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.734 0.778 . . . . 0.0 111.287 -176.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -111.85 14.5 21.0 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.564 -171.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.444 ' HA3' HD13 ' A' ' 116' ' ' LEU . . . 149.92 177.79 24.27 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 119.616 -1.278 . . . . 0.0 113.714 177.267 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.7 tt -143.45 135.59 23.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.061 -0.57 . . . . 0.0 109.974 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.68 HD11 ' HB3' ' A' ' 82' ' ' LEU . 34.6 tp -109.5 116.35 31.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.66 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.477 HG11 HD11 ' A' ' 22' ' ' ILE . 34.3 m -114.7 162.88 12.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.508 178.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -118.8 99.32 0.77 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.787 -177.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.436 ' HG2' ' H ' ' A' ' 47' ' ' GLN . 8.7 tt0 -117.57 122.33 30.96 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 177.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 45' ' ' GLN . 23.7 Cg_exo -64.18 -17.2 58.85 Favored 'Trans proline' 0 CA--C 1.529 0.238 0 C-N-CA 122.83 2.353 . . . . 0.0 113.179 -177.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.436 ' H ' ' HG2' ' A' ' 45' ' ' GLN . 10.8 mm100 -99.14 128.51 45.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.847 0.356 . . . . 0.0 110.859 -178.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -89.3 100.19 13.03 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -89.44 173.98 8.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.713 -178.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -149.32 81.51 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.307 0.575 . . . . 0.0 111.09 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.8 -22.37 28.5 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 168.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.421 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 0.3 OUTLIER 87.66 145.1 0.06 OUTLIER Pre-proline 0 CA--C 1.52 -0.201 0 C-N-CA 125.041 1.336 . . . . 0.0 109.934 178.001 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.444 ' HB3' ' O ' ' A' ' 75' ' ' LEU . 52.8 Cg_exo -56.2 -0.6 0.22 Allowed 'Trans proline' 0 N--CA 1.476 0.475 0 C-N-CA 123.778 2.985 . . . . 0.0 114.665 -177.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -91.32 -6.25 53.38 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.217 -0.302 . . . . 0.0 110.565 177.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -84.55 125.9 70.34 Favored Pre-proline 0 C--O 1.234 0.24 0 CA-C-O 120.694 0.283 . . . . 0.0 110.801 176.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -74.13 128.69 12.42 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.33 2.02 . . . . 0.0 111.528 175.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.494 ' CE2' ' HB2' ' A' ' 75' ' ' LEU . 43.6 m-85 -123.19 154.4 38.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.145 -178.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.533 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 43.8 mt-10 -117.42 138.3 51.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.782 0.325 . . . . 0.0 111.001 177.263 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.537 ' HB2' HD13 ' A' ' 73' ' ' ILE . . . -106.06 117.35 33.81 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.169 175.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -113.59 110.87 20.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.952 178.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.578 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 88.8 mt -106.37 116.45 31.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.385 -178.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.411 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 61.3 m-85 -101.04 102.31 13.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.156 -177.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.438 HD13 ' HB2' ' A' ' 18' ' ' ALA . 4.4 mm? -88.89 -9.39 51.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.607 0.717 . . . . 0.0 109.272 175.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 177.34 -169.47 41.67 Favored Glycine 0 N--CA 1.442 -0.958 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 178.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.4 tp -80.5 -29.73 37.3 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 117.556 0.678 . . . . 0.0 110.009 177.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -97.35 -31.99 12.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.514 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.3 t -88.61 99.24 8.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.658 -177.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 65.6 tp -119.03 126.53 51.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.722 -178.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.578 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 60.2 mt -113.41 135.84 51.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 175.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -145.79 146.88 31.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.197 0.523 . . . . 0.0 111.636 -175.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -152.94 141.58 20.91 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.186 173.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -81.84 111.91 18.49 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 174.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.562 HG22 ' HA ' ' A' ' 87' ' ' CYS . 23.3 pt -110.65 166.23 5.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.469 0.652 . . . . 0.0 111.572 -172.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.2 p -127.53 133.46 49.81 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.367 -0.833 . . . . 0.0 108.893 173.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.494 ' HB2' ' CE2' ' A' ' 57' ' ' PHE . 63.8 tp -58.74 119.87 7.92 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 177.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -101.44 -50.72 3.66 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.149 -178.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 -157.65 144.97 18.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.147 0.499 . . . . 0.0 111.816 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -122.17 113.43 19.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.175 173.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -120.91 96.99 5.33 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.681 0.277 . . . . 0.0 111.588 -174.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.3 t70 62.36 10.07 3.69 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 168.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 132.7 -22.97 4.04 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.443 -0.884 . . . . 0.0 111.919 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.68 ' HB3' HD11 ' A' ' 42' ' ' LEU . 95.1 mt -93.21 113.18 25.32 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 175.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.1 mp -108.55 119.76 40.47 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.972 0.415 . . . . 0.0 110.918 -178.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -103.2 114.72 4.94 Favored Glycine 0 N--CA 1.439 -1.158 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.447 178.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.414 ' CG ' HD12 ' A' ' 73' ' ' ILE . 84.4 m-85 -100.0 141.69 32.47 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.075 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -93.92 125.49 38.57 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 178.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.562 ' HA ' HG22 ' A' ' 73' ' ' ILE . 78.0 m -74.19 108.67 7.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.526 178.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -81.92 -61.86 1.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 37.3 t60 -116.82 108.49 15.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.285 178.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 90' ' ' ILE . 3.3 mp -99.47 125.35 53.06 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 174.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.498 ' HB3' ' HB2' ' A' ' 94' ' ' SER . 27.5 t70 -60.74 144.05 53.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 123.046 0.216 . . . . 0.0 110.605 -178.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.5 mp -58.94 -41.8 88.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.135 -176.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -73.93 -29.13 61.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.351 0.596 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.498 ' HB2' ' HB3' ' A' ' 91' ' ' ASP . 23.1 t -62.51 -43.93 97.61 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.586 174.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 67.8 mt -65.56 -47.08 87.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.104 178.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.477 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 33.2 p -62.64 -42.91 99.86 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.566 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -58.87 -48.26 82.01 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.649 0.261 . . . . 0.0 110.675 176.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.06 -47.66 84.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.399 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.574 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 2.7 tpt180 -63.02 -48.17 79.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.331 -178.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' A' ' 96' ' ' SER . 29.1 mmm180 -64.97 -34.92 79.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.825 0.345 . . . . 0.0 110.711 -178.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 45.8 tp -61.04 -42.7 98.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.776 175.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.824 HG21 HD11 ' A' ' 112' ' ' LEU . 42.0 t -58.83 -41.92 84.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.054 176.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.574 ' HG2' ' O ' ' A' ' 99' ' ' ARG . 5.1 mm-40 -61.82 -35.11 77.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.057 0.455 . . . . 0.0 110.346 179.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 94.6 mt -79.46 -42.28 25.69 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.167 -174.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 34.2 p30 -98.16 -2.23 40.38 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.7 -176.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 9.3 mp 63.39 30.58 15.45 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 123.611 0.569 . . . . 0.0 112.243 178.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.458 ' O ' HG13 ' A' ' 102' ' ' VAL . . . -75.28 70.94 1.82 Allowed Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 172.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -36.27 138.39 0.21 Allowed 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -169.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' A' ' 113' ' ' GLU . 14.1 pt-20 -66.16 -12.44 55.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.145 -1.389 . . . . 0.0 112.91 -172.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.63 -38.23 71.81 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.313 0.578 . . . . 0.0 109.877 178.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.5 ' HB3' ' NH1' ' A' ' 114' ' ' ARG . 46.7 mt -72.44 -27.54 62.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.58 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.824 HD11 HG21 ' A' ' 102' ' ' VAL . 96.0 mt -77.21 -19.28 56.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.608 179.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 66.8 mm-40 -100.86 18.38 19.68 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.682 -173.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.766 HH21 ' HA ' ' A' ' 119' ' ' LEU . 57.9 mtm-85 -79.14 -160.52 0.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 175.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.601 ' O ' HD13 ' A' ' 119' ' ' LEU . 0.5 OUTLIER -117.21 158.35 24.44 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 173.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.444 HD13 ' HA3' ' A' ' 40' ' ' GLY . 59.5 tp -57.93 -34.03 69.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 118.133 0.424 . . . . 0.0 110.278 178.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -72.68 -11.06 60.48 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.614 175.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.425 ' HB2' ' H ' ' A' ' 115' ' ' GLU . 68.9 mt -105.37 -0.1 26.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.385 178.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.766 ' HA ' HH21 ' A' ' 114' ' ' ARG . 5.9 mp -90.22 91.93 8.72 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.158 0.504 . . . . 0.0 109.842 179.075 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 8.9 t -107.77 163.15 5.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.47 -178.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.0 p -74.59 171.79 13.21 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.83 0.348 . . . . 0.0 111.311 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.44 5.75 0.95 Allowed 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -172.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -91.1 0.02 57.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.358 0.599 . . . . 0.0 109.949 178.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -129.1 -166.58 1.66 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.476 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.631 ' HA ' HH21 ' A' ' 13' ' ' ARG . 36.1 t70 . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.164 -0.922 . . . . 0.0 109.71 176.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 tpt . . . . . 0 N--CA 1.478 0.97 0 CA-C-O 120.823 0.344 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 p -142.12 78.8 1.64 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.245 0.545 . . . . 0.0 111.248 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -152.21 119.62 5.99 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.18 177.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -84.94 117.39 23.91 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -103.82 -67.16 0.91 Allowed 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.326 176.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -122.32 -4.61 8.88 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.508 0.67 . . . . 0.0 109.782 -179.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.426 ' H ' ' CD ' ' A' ' 7' ' ' GLU . 1.9 mp0 -76.41 70.64 3.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.925 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -79.64 96.33 6.16 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.591 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -67.93 151.21 47.47 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.662 -175.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.48 ' HD3' ' HA ' ' A' ' 10' ' ' ARG . 11.2 mmt180 -72.83 125.4 27.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.189 0.518 . . . . 0.0 110.703 -174.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 34.1 p90 -81.42 13.63 2.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.392 -173.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -77.13 83.71 3.62 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 173.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.566 ' HG2' ' H ' ' A' ' 14' ' ' ILE . 23.8 ttp-105 -109.15 -171.06 1.77 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.479 -175.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.566 ' H ' ' HG2' ' A' ' 13' ' ' ARG . 32.1 mm -78.58 89.39 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.329 0.585 . . . . 0.0 110.54 -177.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -156.52 93.13 1.36 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.545 177.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -91.67 153.65 19.54 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.833 -178.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -77.28 78.74 3.8 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 171.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.81 138.19 53.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.599 -174.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.508 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 4.6 m-20 -63.51 117.76 7.19 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 176.088 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.0 m -115.39 113.25 23.51 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.91 0.386 . . . . 0.0 110.401 -177.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -117.79 125.01 49.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.21 178.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.471 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 80.5 mt -96.93 118.92 44.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 174.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.668 HD22 ' HG2' ' A' ' 28' ' ' ARG . 31.0 mt -106.84 153.07 23.04 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.039 0.447 . . . . 0.0 110.99 -174.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.503 ' NE2' ' HB3' ' A' ' 55' ' ' ARG . 55.4 tt0 -149.82 89.21 1.59 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.233 170.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.32 -83.81 0.43 Allowed Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.464 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -111.98 -27.55 8.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.92 0.39 . . . . 0.0 111.109 -177.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -86.88 138.17 31.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.882 0.372 . . . . 0.0 111.434 -170.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.668 ' HG2' HD22 ' A' ' 23' ' ' LEU . 52.1 mtt180 -125.14 111.26 15.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.663 -176.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 25.8 m-90 -98.49 106.01 18.23 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.281 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -71.99 110.78 6.71 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 172.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.4 p -126.15 153.8 34.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.027 0.442 . . . . 0.0 111.542 -171.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.56 139.4 30.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.03 176.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.0 tp -80.33 143.09 33.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.093 -177.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -116.03 -38.92 3.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.622 176.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -175.41 165.54 3.26 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 177.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.0 p -162.15 147.07 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.048 0.451 . . . . 0.0 110.995 178.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.1 p -145.16 -167.97 2.82 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.277 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.1 tp -87.78 12.72 12.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.859 0.838 . . . . 0.0 109.229 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.548 ' ND1' ' HA ' ' A' ' 115' ' ' GLU . 10.5 m170 -110.58 -13.21 14.26 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.657 178.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.467 ' HA3' ' O ' ' A' ' 85' ' ' PHE . . . 144.98 -158.56 27.67 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 114.663 -1.153 . . . . 0.0 112.304 -175.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.8 tt -140.73 148.35 21.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.83 0.347 . . . . 0.0 110.851 -172.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.468 HD11 ' HB3' ' A' ' 82' ' ' LEU . 56.3 tp -121.24 121.49 37.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.338 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.458 HG21 HD11 ' A' ' 22' ' ' ILE . 22.1 m -132.03 -177.26 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.599 178.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.481 ' O ' ' HD3' ' A' ' 46' ' ' PRO . . . -107.45 171.0 16.01 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.998 179.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -112.0 92.27 17.68 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-O 120.817 0.341 . . . . 0.0 110.679 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.481 ' HD3' ' O ' ' A' ' 44' ' ' GLY . 2.5 Cg_endo -88.63 -68.59 0.01 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 123.247 2.631 . . . . 0.0 113.403 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.5 mp0 -84.21 -167.48 1.78 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.832 0.349 . . . . 0.0 111.126 -174.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -64.55 126.23 27.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.474 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.416 ' HH2' HG21 ' A' ' 22' ' ' ILE . 75.4 t-105 -135.5 137.66 42.33 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.029 -173.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -62.47 -57.34 11.56 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.865 0.364 . . . . 0.0 110.845 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.53 26.95 40.78 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.146 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.531 ' OD1' ' HB3' ' A' ' 54' ' ' GLN . 16.0 t0 -113.57 116.69 45.7 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 -178.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.442 ' HA ' ' HB3' ' A' ' 75' ' ' LEU . 42.9 Cg_endo -68.48 -6.19 17.03 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.92 2.413 . . . . 0.0 112.535 -178.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.531 ' HB3' ' OD1' ' A' ' 52' ' ' ASP . 53.1 tp60 -78.29 -11.5 59.94 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.377 0.608 . . . . 0.0 109.569 175.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.503 ' HB3' ' NE2' ' A' ' 24' ' ' GLN . 7.9 mmt180 -93.2 113.18 59.28 Favored Pre-proline 0 N--CA 1.449 -0.492 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.989 -177.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.505 ' HD3' ' O ' ' A' ' 54' ' ' GLN . 17.5 Cg_exo -65.61 137.4 50.08 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.571 2.181 . . . . 0.0 110.866 169.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -126.76 161.65 27.66 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.789 0.328 . . . . 0.0 110.86 -177.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.537 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 42.8 mt-10 -120.67 148.74 43.53 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 178.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -124.97 124.26 41.63 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.134 0.493 . . . . 0.0 111.819 -178.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.449 ' HD3' ' OH ' ' A' ' 62' ' ' TYR . 94.0 mtt180 -105.36 119.4 38.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.073 173.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.863 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 97.7 mt -113.13 109.46 18.83 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 174.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.508 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 46.9 m-85 -92.33 109.18 20.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.839 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.401 ' HG ' HD22 ' A' ' 101' ' ' LEU . 3.6 mm? -105.65 -6.9 18.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.369 0.604 . . . . 0.0 109.87 175.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -178.66 -158.42 21.19 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.101 -179.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.437 ' H ' HD12 ' A' ' 65' ' ' LEU . 4.5 mp -81.82 -50.85 8.74 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -101.11 -11.65 19.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.438 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.7 t -90.04 84.28 2.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.727 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.2 tt -123.19 137.05 54.99 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.733 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.863 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 75.0 mt -107.83 113.87 44.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.951 177.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.423 ' HD2' HH11 ' A' ' 70' ' ' ARG . 41.9 ttm105 -110.21 114.92 28.79 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.158 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 18.6 ptm -137.93 116.69 12.27 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.92 -177.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -71.0 134.93 47.54 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 174.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.608 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 9.2 pt -130.08 150.61 34.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.475 0.655 . . . . 0.0 111.84 -172.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.3 m -108.31 122.46 47.01 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.311 175.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.442 ' HB3' ' HA ' ' A' ' 53' ' ' PRO . 55.5 tp -60.96 110.49 1.36 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 178.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -89.39 -44.76 9.96 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.823 -175.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 60.3 p-90 -156.58 158.2 36.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.317 0.58 . . . . 0.0 111.517 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -139.68 105.44 5.15 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.324 -0.853 . . . . 0.0 108.829 177.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -117.86 105.51 12.01 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.71 -173.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.4 t70 62.82 -87.97 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.48 -178.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -124.89 6.65 8.31 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.963 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.468 ' HB3' HD11 ' A' ' 42' ' ' LEU . 59.4 mt -106.23 122.05 45.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.936 0.398 . . . . 0.0 110.872 -177.153 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.412 ' HB2' HG23 ' A' ' 43' ' ' VAL . 80.4 mt -104.09 114.87 29.42 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.027 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.97 121.92 6.73 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.113 -179.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.608 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 75.2 m-85 -115.47 145.39 42.64 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.7 0.286 . . . . 0.0 110.625 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -95.77 138.42 33.44 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 174.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 12.7 p -71.98 111.71 7.46 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.018 0.437 . . . . 0.0 110.167 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -87.81 -49.8 6.87 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.361 -176.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -147.74 138.23 23.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.315 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 27.1 mt -134.24 132.76 55.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.775 0.322 . . . . 0.0 110.551 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.456 ' O ' HG13 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -66.29 136.39 55.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.566 176.806 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.2 mp -61.52 -35.44 77.71 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -175.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -66.9 -43.08 84.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.107 0.48 . . . . 0.0 109.767 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.553 ' HB3' HG23 ' A' ' 69' ' ' ILE . 41.6 m -58.5 -44.37 89.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.465 174.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 91' ' ' ASP . 77.5 mt -57.8 -44.37 85.98 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.152 175.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.1 m -62.15 -36.17 81.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.058 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -67.27 -51.3 54.52 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 176.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.21 -47.01 84.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.382 -178.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.416 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 51.7 ttt-85 -53.47 -58.08 8.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.224 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 -66.46 -36.28 82.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.649 -176.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.491 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 63.4 tp -57.52 -49.88 74.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.694 179.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.584 HG21 HD11 ' A' ' 112' ' ' LEU . 85.9 t -66.42 -38.81 82.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.386 -178.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.709 ' HA ' ' HA2' ' A' ' 107' ' ' GLY . 50.5 mt-10 -59.25 -47.84 83.84 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.794 0.331 . . . . 0.0 110.722 178.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.51 -13.66 59.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.491 ' HB2' ' O ' ' A' ' 101' ' ' LEU . 10.5 t-20 -83.18 -29.37 28.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.123 0.487 . . . . 0.0 110.95 -177.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 44.9 tp -176.53 -33.46 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.295 -0.866 . . . . 0.0 108.682 -178.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.709 ' HA2' ' HA ' ' A' ' 103' ' ' GLU . . . 87.24 7.98 75.77 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 114.975 -1.012 . . . . 0.0 113.069 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.433 ' OD2' ' HG ' ' A' ' 111' ' ' LEU . 16.9 t70 -85.12 110.58 19.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.962 0.411 . . . . 0.0 110.234 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -89.11 -8.43 53.83 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.783 -178.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -70.53 -39.11 74.26 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.494 HD22 ' HG3' ' A' ' 13' ' ' ARG . 84.2 mt -57.54 -34.23 68.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.413 174.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.584 HD11 HG21 ' A' ' 102' ' ' VAL . 87.4 mt -78.96 -14.09 59.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.759 0.314 . . . . 0.0 111.085 -178.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -127.83 37.18 4.23 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.246 0.546 . . . . 0.0 110.677 -172.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -75.85 -98.18 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 171.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.696 ' O ' HD13 ' A' ' 119' ' ' LEU . 0.1 OUTLIER -178.4 154.37 0.8 Allowed 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 171.457 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 61.2 tp -59.29 -37.78 78.54 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 177.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.5 -18.2 63.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.378 175.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 82.3 mt -101.6 2.55 39.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.558 -178.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.696 HD13 ' O ' ' A' ' 115' ' ' GLU . 5.7 mp -93.66 114.65 27.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.11 0.481 . . . . 0.0 109.896 178.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 121' ' ' SER . 6.4 t -111.08 167.51 4.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.232 -174.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.469 ' N ' HG12 ' A' ' 120' ' ' VAL . 75.5 m -82.9 172.09 13.19 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.083 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -43.57 -40.56 4.06 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.641 176.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -118.84 149.99 40.59 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.884 -0.414 . . . . 0.0 109.884 174.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -97.67 -29.39 13.43 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 172.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 28.2 t70 . . . . . 0 C--O 1.247 0.972 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.171 176.462 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.482 1.128 0 CA-C-O 120.884 0.373 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.2 t -89.18 -23.59 22.37 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 167.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -82.84 -170.1 2.83 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 114.731 -1.122 . . . . 0.0 108.58 172.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -82.03 -66.1 0.93 Allowed 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.906 -178.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.793 ' HB3' ' HG3' ' A' ' 7' ' ' GLU . 51.0 m170 -135.84 168.29 19.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.353 0.597 . . . . 0.0 111.935 -175.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -122.86 37.41 4.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.131 174.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.793 ' HG3' ' HB3' ' A' ' 5' ' ' HIS . 39.4 mt-10 -64.17 140.15 58.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.003 -176.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.0 ptt85 -86.26 162.33 18.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.82 -174.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -64.92 130.22 42.6 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 171.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.5 mtm105 -63.55 -44.28 94.6 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -174.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.429 ' HE2' HG22 ' A' ' 14' ' ' ILE . 16.0 t80 -137.01 113.64 10.24 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.68 0.276 . . . . 0.0 110.267 -177.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.91 ' HE1' ' HB3' ' A' ' 125' ' ' ASP . 8.2 t60 -75.46 -58.0 3.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.3 -175.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -148.54 155.46 41.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.535 -173.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.429 HG22 ' HE2' ' A' ' 11' ' ' PHE . 20.1 pt -85.64 121.02 36.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.212 0.529 . . . . 0.0 111.709 -177.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.46 86.72 1.35 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.222 172.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.98 143.73 35.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.835 -178.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -86.64 90.03 8.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.231 0.538 . . . . 0.0 110.634 -178.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -107.04 145.05 32.81 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.386 176.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.547 ' HB3' ' HB2' ' A' ' 62' ' ' TYR . 13.9 t70 -66.92 115.97 7.25 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.6 m -115.95 125.86 53.11 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.737 -170.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -134.93 132.93 39.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.911 171.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.686 HD13 HG11 ' A' ' 31' ' ' VAL . 1.5 mp -97.38 129.0 48.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.43 178.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.782 HD22 ' HG2' ' A' ' 28' ' ' ARG . 26.5 mt -108.88 148.68 30.26 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.727 -175.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.22 50.25 1.32 Allowed 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 169.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.23 -80.92 0.83 Allowed Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.838 -175.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -85.39 -31.77 22.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.938 0.399 . . . . 0.0 111.023 -177.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -97.38 145.09 26.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 -173.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.782 ' HG2' HD22 ' A' ' 23' ' ' LEU . 40.4 mtp180 -132.05 125.2 30.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.484 -174.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 -127.35 108.16 10.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.915 0.388 . . . . 0.0 111.415 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -64.91 124.96 23.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.975 175.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.686 HG11 HD13 ' A' ' 22' ' ' ILE . 9.8 p -131.31 164.1 35.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.846 0.355 . . . . 0.0 111.123 -171.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 mp -97.55 125.11 42.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.55 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.1 tp -79.36 146.93 32.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.454 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -129.68 -38.43 1.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.544 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.499 ' OD2' ' HG ' ' A' ' 119' ' ' LEU . 6.2 t70 -165.77 167.45 16.98 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.5 p -165.14 140.01 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.891 0.377 . . . . 0.0 110.411 -177.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.422 ' HB3' ' O ' ' A' ' 112' ' ' LEU . 50.5 m -152.52 -170.03 3.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.611 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.453 ' HG ' ' HB3' ' A' ' 112' ' ' LEU . 21.2 mt -74.08 -9.2 58.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.453 0.644 . . . . 0.0 110.449 -178.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -93.36 -23.99 18.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.113 -175.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.634 ' HA2' ' HB2' ' A' ' 87' ' ' CYS . . . 157.77 -145.03 11.19 Favored Glycine 0 N--CA 1.44 -1.042 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.658 -175.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.2 tt -154.94 144.65 13.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 120.794 0.331 . . . . 0.0 110.519 -173.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.534 HD22 ' O ' ' A' ' 119' ' ' LEU . 35.7 tp -115.95 117.06 29.09 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.113 0.483 . . . . 0.0 110.365 177.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.455 HG23 ' HB2' ' A' ' 83' ' ' LEU . 30.7 m -123.05 175.45 5.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.731 175.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -127.5 132.91 7.68 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.362 -178.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.604 ' HB3' HD11 ' A' ' 83' ' ' LEU . 3.7 pt20 -84.63 120.58 74.24 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-O 120.915 0.388 . . . . 0.0 110.719 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -93.95 3.88 2.96 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 123.117 2.545 . . . . 0.0 112.065 176.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.455 ' HG3' ' H ' ' A' ' 48' ' ' ASP . 50.8 tp60 -157.09 175.58 13.88 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -174.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.455 ' H ' ' HG3' ' A' ' 47' ' ' GLN . 20.4 t70 -59.18 142.93 50.45 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.314 0.384 . . . . 0.0 110.529 177.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 61.5 t-105 -94.15 153.25 18.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.162 0.506 . . . . 0.0 111.569 -172.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -135.63 138.76 43.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.808 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.463 ' O ' ' HB2' ' A' ' 52' ' ' ASP . . . 111.29 -51.6 0.69 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.302 178.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.609 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 2.9 m-20 73.97 164.86 0.14 Allowed Pre-proline 0 N--CA 1.47 0.543 0 C-N-CA 122.906 0.482 . . . . 0.0 111.403 177.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.609 ' HD2' ' HB3' ' A' ' 52' ' ' ASP . 55.9 Cg_endo -69.39 31.42 0.18 Allowed 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.383 2.722 . . . . 0.0 113.714 -177.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.401 HE21 ' HB3' ' A' ' 54' ' ' GLN . 23.5 mt-30 -124.73 -23.75 4.28 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.843 0.354 . . . . 0.0 110.708 177.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.427 ' HD3' ' O ' ' A' ' 51' ' ' GLY . 60.3 mtp180 -108.95 118.21 52.02 Favored Pre-proline 0 N--CA 1.449 -0.521 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.335 -175.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_exo -50.51 142.07 31.64 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 123.976 3.117 . . . . 0.0 114.073 -176.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.461 ' CD1' ' HE1' ' A' ' 85' ' ' PHE . 61.7 m-85 -123.94 143.98 50.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.923 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.509 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 42.9 mt-10 -104.27 137.88 41.54 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -107.17 117.05 33.05 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.789 0.328 . . . . 0.0 111.246 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.6 mtt180 -103.98 107.62 18.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.245 173.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.023 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 90.8 mt -105.41 102.88 12.33 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.035 177.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.547 ' HB2' ' HB3' ' A' ' 19' ' ' ASP . 70.5 m-85 -80.93 106.88 13.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.991 179.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.439 HD23 HG11 ' A' ' 67' ' ' VAL . 45.4 tp -102.86 -23.02 13.78 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.248 0.547 . . . . 0.0 109.875 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -159.84 -159.22 9.65 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.049 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.8 tp -82.16 -43.11 18.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.88 0.371 . . . . 0.0 110.139 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -104.89 -13.58 15.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.512 177.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.439 HG11 HD23 ' A' ' 63' ' ' LEU . 31.7 t -90.67 86.11 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-O 121.321 0.581 . . . . 0.0 110.568 -178.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.9 tp -109.89 116.01 30.85 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.794 176.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 1.023 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 58.3 mt -83.84 104.0 11.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.813 177.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 70' ' ' ARG . 16.7 ttt-85 -108.1 111.11 22.98 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.524 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.6 ptp -130.26 136.42 49.17 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 174.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.553 ' HB2' ' HB3' ' A' ' 89' ' ' HIS . 89.6 mt-10 -95.0 115.86 27.97 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.55 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 8.7 pt -115.59 153.65 17.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.659 -168.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.3 p -114.48 118.88 35.04 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.548 176.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.594 ' HB3' ' HA ' ' A' ' 53' ' ' PRO . 55.1 tp -57.97 115.07 2.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.95 0.405 . . . . 0.0 110.608 -178.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -91.12 -50.8 5.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.839 -175.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 66.2 p-90 -145.26 147.43 32.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.576 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -143.84 113.25 6.94 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.381 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -156.81 144.28 19.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.675 0.274 . . . . 0.0 111.196 -179.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 59.85 24.34 13.37 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.167 171.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.69 -19.21 55.65 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.723 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.7 mt -86.96 129.21 34.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.984 0.421 . . . . 0.0 110.831 -178.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.604 HD11 ' HB3' ' A' ' 45' ' ' GLN . 75.6 mt -114.52 110.65 20.15 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.217 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -104.19 113.04 4.3 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.959 -0.638 . . . . 0.0 111.884 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.55 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 54.4 m-85 -104.4 141.18 36.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.924 0.392 . . . . 0.0 110.621 -179.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -87.28 127.06 35.18 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 174.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.695 ' SG ' HG12 ' A' ' 90' ' ' ILE . 3.2 t -71.85 101.02 2.53 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.187 0.518 . . . . 0.0 109.635 -179.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.785 HE21 ' HA ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -85.3 -61.51 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.798 -171.872 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.553 ' HB3' ' HB2' ' A' ' 72' ' ' GLU . 10.7 t-160 -118.18 98.38 6.27 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.441 -179.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.695 HG12 ' SG ' ' A' ' 87' ' ' CYS . 1.1 mt -92.24 114.36 29.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.466 ' O ' HG12 ' A' ' 95' ' ' ILE . 21.3 t70 -71.79 143.41 49.54 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 -178.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.0 mp -54.16 -35.41 62.24 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.644 0.59 . . . . 0.0 111.781 -176.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -66.22 -39.26 89.46 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.382 0.61 . . . . 0.0 110.295 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.6 m -73.82 -27.42 61.1 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.81 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.466 HG12 ' O ' ' A' ' 91' ' ' ASP . 42.2 mm -57.57 -46.67 86.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 172.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.0 t -67.53 -43.15 81.47 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.293 -178.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -60.86 -53.47 56.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.345 -178.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 54.9 tp -64.4 -50.58 67.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 -175.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -63.42 -48.64 76.93 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.708 -176.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 100' ' ' ARG . 48.4 mtt-85 -69.72 -28.14 65.56 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -174.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 55.1 tp -67.0 -41.03 87.41 Favored 'General case' 0 C--O 1.22 -0.479 0 C-N-CA 120.155 -0.618 . . . . 0.0 109.775 174.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.706 HG21 HD11 ' A' ' 112' ' ' LEU . 93.3 t -70.21 -41.24 78.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.782 0.325 . . . . 0.0 110.705 178.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -67.29 -58.01 5.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.48 -178.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.86 -23.68 66.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.951 0.405 . . . . 0.0 112.026 -174.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -101.54 4.29 40.91 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.061 0.458 . . . . 0.0 110.279 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 54.8 42.99 30.74 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.659 177.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -82.85 -1.64 90.62 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 121.162 -0.542 . . . . 0.0 113.032 -178.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.51 ' OD2' ' HB2' ' A' ' 110' ' ' GLU . 14.3 t70 73.82 129.07 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.472 0.709 . . . . 0.0 111.555 177.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -74.69 -25.43 59.15 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -174.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.51 ' HB2' ' OD2' ' A' ' 108' ' ' ASP . 0.6 OUTLIER -63.48 -24.19 67.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.758 0.313 . . . . 0.0 111.589 -173.722 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.494 ' HB3' HH11 ' A' ' 114' ' ' ARG . 72.6 mt -76.01 -21.98 56.3 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.027 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.706 HD11 HG21 ' A' ' 102' ' ' VAL . 94.2 mt -80.7 -13.92 58.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.083 0.468 . . . . 0.0 110.352 178.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -120.87 31.9 6.21 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.803 -173.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.606 HH21 ' HA ' ' A' ' 119' ' ' LEU . 64.9 mtm-85 -75.4 -88.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 175.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.719 ' O ' HD13 ' A' ' 119' ' ' LEU . 0.8 OUTLIER 175.93 158.3 0.25 Allowed 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 106.494 -1.669 . . . . 0.0 106.494 173.271 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 63.9 tp -63.46 -35.56 80.85 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 118.872 0.76 . . . . 0.0 109.823 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -79.88 -3.11 46.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.089 0.471 . . . . 0.0 110.888 175.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 49.3 mt -107.6 7.09 28.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.601 0.715 . . . . 0.0 110.057 175.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.719 HD13 ' O ' ' A' ' 115' ' ' GLU . 4.9 mp -101.11 91.18 4.42 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 172.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.874 HG22 ' H ' ' A' ' 121' ' ' SER . 7.4 p -108.33 -171.68 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.781 -170.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.874 ' H ' HG22 ' A' ' 120' ' ' VAL . 47.3 m -72.16 172.08 10.83 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 122.777 0.431 . . . . 0.0 111.23 -176.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -50.59 -41.86 55.03 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.374 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -74.24 92.66 2.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.038 0.447 . . . . 0.0 110.163 174.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -111.5 -37.98 5.07 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.545 174.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.91 ' HB3' ' HE1' ' A' ' 12' ' ' HIS . 24.4 t70 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.373 -0.822 . . . . 0.0 109.901 172.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -75.14 113.56 12.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.665 0.269 . . . . 0.0 110.375 176.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -92.7 141.23 28.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.978 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -87.43 -79.61 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 121.041 -0.264 . . . . 0.0 111.155 -178.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.2 p80 -179.81 155.42 0.63 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 0.0 110.941 -176.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.436 ' O ' ' HB2' ' A' ' 7' ' ' GLU . 19.5 t0 -78.49 170.66 16.28 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.939 -0.764 . . . . 0.0 108.939 170.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 6' ' ' ASP . 58.9 mm-40 70.84 96.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.773 0.797 . . . . 0.0 111.472 -178.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.2 ttp85 -116.93 -26.05 7.02 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.663 177.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.493 ' HD3' ' O ' ' A' ' 11' ' ' PHE . 1.3 ptp180 -112.77 140.42 47.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.583 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.7 ptt85 -93.34 11.34 28.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.974 0.416 . . . . 0.0 111.317 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.493 ' O ' ' HD3' ' A' ' 9' ' ' ARG . 56.9 m-85 -110.73 121.81 46.27 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 177.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -123.69 -59.59 1.52 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.971 0.415 . . . . 0.0 110.745 -177.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -142.95 163.41 32.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.589 -176.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.8 pt -103.05 89.07 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.787 0.803 . . . . 0.0 110.463 174.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.38 100.24 6.92 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.35 -0.841 . . . . 0.0 108.863 176.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -87.33 152.31 22.38 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.84 -171.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -78.0 64.96 3.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.697 0.76 . . . . 0.0 109.863 173.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.21 155.1 33.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.831 -174.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.506 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 6.9 m-20 -83.3 128.58 34.62 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 177.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 p -120.87 111.92 18.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.948 0.404 . . . . 0.0 111.306 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.666 ' HG2' ' HG2' ' A' ' 30' ' ' GLU . 37.5 mt-10 -114.94 135.77 53.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.374 177.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.533 HD11 HG21 ' A' ' 43' ' ' VAL . 90.2 mt -103.07 112.95 38.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.222 0.534 . . . . 0.0 109.951 175.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.457 HD11 ' HB2' ' A' ' 60' ' ' ARG . 3.1 mt -95.83 146.01 24.9 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.942 -176.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -143.87 84.26 1.78 Allowed 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 172.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.98 -96.29 0.16 Allowed Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.306 -0.861 . . . . 0.0 113.008 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -81.76 -24.63 35.92 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.386 -0.407 . . . . 0.0 111.552 -174.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -119.34 164.2 16.05 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.655 -169.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.462 ' HD2' ' O ' ' A' ' 28' ' ' ARG . 0.3 OUTLIER -147.85 133.09 18.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.292 175.777 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 27.8 m-90 -116.72 119.19 34.68 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.232 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.666 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 41.7 mt-10 -73.43 122.56 22.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.312 0.577 . . . . 0.0 110.499 176.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.635 HG23 ' HG3' ' A' ' 45' ' ' GLN . 11.2 p -120.78 162.86 19.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.415 -173.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.415 ' N ' HG22 ' A' ' 31' ' ' VAL . 7.5 mp -88.5 122.85 32.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.341 175.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.9 tp -70.78 146.47 49.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.04 175.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -135.59 -57.69 0.78 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.42 177.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.55 ' OD2' ' HG ' ' A' ' 119' ' ' LEU . 6.5 t70 -149.71 143.03 25.19 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 176.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.428 HG23 ' HB ' ' A' ' 41' ' ' ILE . 9.8 p -148.14 150.44 14.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 110.523 -0.177 . . . . 0.0 110.523 -173.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.437 ' OG ' ' HA ' ' A' ' 112' ' ' LEU . 10.3 t -166.99 -164.02 0.59 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.033 0.444 . . . . 0.0 111.064 -179.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 59.5 mt -88.2 8.85 25.14 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.72 -174.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -109.21 -12.69 14.76 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 121.703 0.763 . . . . 0.0 109.11 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.455 ' HA3' ' O ' ' A' ' 85' ' ' PHE . . . 142.13 -143.36 12.77 Favored Glycine 0 N--CA 1.44 -1.049 0 CA-C-N 114.593 -1.185 . . . . 0.0 111.111 -174.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.428 ' HB ' HG23 ' A' ' 36' ' ' VAL . 13.4 tt -165.33 144.27 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.703 0.252 . . . . 0.0 110.874 -174.13 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.4 tp -116.85 115.24 25.16 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.143 0.496 . . . . 0.0 109.786 174.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.533 HG21 HD11 ' A' ' 22' ' ' ILE . 14.2 m -119.19 176.96 2.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.572 -178.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -136.65 121.58 2.42 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.257 -0.973 . . . . 0.0 113.084 -178.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.635 ' HG3' HG23 ' A' ' 31' ' ' VAL . 33.9 mt-30 -117.68 167.69 10.65 Favored Pre-proline 0 C--N 1.324 -0.515 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 172.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.516 ' O ' ' HG3' ' A' ' 47' ' ' GLN . 39.1 Cg_exo -60.01 -64.09 0.11 Allowed 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 121.819 1.68 . . . . 0.0 110.604 169.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.516 ' HG3' ' O ' ' A' ' 46' ' ' PRO . 39.8 mt-30 -171.5 -170.92 0.86 Allowed 'General case' 0 C--O 1.233 0.236 0 O-C-N 124.084 0.865 . . . . 0.0 109.252 177.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 47' ' ' GLN . 1.1 m-20 77.31 152.72 0.13 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.647 0.981 . . . . 0.0 113.647 171.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.581 ' CZ2' HD13 ' A' ' 83' ' ' LEU . 9.0 m95 -153.2 -172.04 4.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.044 -1.434 . . . . 0.0 109.328 176.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -63.97 -40.62 96.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.742 0.306 . . . . 0.0 110.606 176.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 159.48 -41.87 0.47 Allowed Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.25 175.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -142.39 153.03 62.05 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-O 120.526 0.203 . . . . 0.0 110.533 -177.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -85.89 20.92 1.16 Allowed 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 123.239 2.626 . . . . 0.0 113.427 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -94.29 -3.62 50.24 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 176.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -92.97 112.45 56.07 Favored Pre-proline 0 N--CA 1.446 -0.673 0 CA-C-N 114.449 -1.251 . . . . 0.0 110.15 177.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -56.43 139.69 87.51 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 123.238 2.625 . . . . 0.0 112.233 177.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -111.8 158.06 19.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.447 -178.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -134.39 130.12 36.39 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.479 ' HB2' HD13 ' A' ' 73' ' ' ILE . . . -97.3 122.77 40.71 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.315 -179.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.457 ' HB2' HD11 ' A' ' 23' ' ' LEU . 50.8 ttp180 -114.53 105.17 12.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.669 179.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.892 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 70.7 mt -103.97 128.07 51.52 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.776 -175.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.506 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 62.9 m-85 -99.0 113.07 25.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.648 179.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -113.43 2.62 15.49 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.169 0.509 . . . . 0.0 109.801 174.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.85 -175.72 47.73 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.052 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.1 mp -68.04 -42.03 81.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.072 0.463 . . . . 0.0 110.04 177.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -100.78 -33.85 10.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.939 176.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.9 t -67.37 96.46 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.149 0.5 . . . . 0.0 110.817 -175.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.442 HD11 ' CG ' ' A' ' 60' ' ' ARG . 32.7 tp -121.78 122.31 39.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.285 -176.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.892 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 62.6 mt -99.84 106.67 19.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.07 178.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.2 ptp85 -107.39 127.69 53.81 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.263 178.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.433 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 23.2 ptm -142.74 122.66 13.55 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.093 0.473 . . . . 0.0 110.657 177.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.701 ' HG2' HE21 ' A' ' 88' ' ' GLN . 34.2 tt0 -71.11 126.26 29.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.297 177.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.66 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 14.5 pt -132.27 151.65 35.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.48 0.657 . . . . 0.0 111.962 -173.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.44 ' HB3' ' OE1' ' A' ' 88' ' ' GLN . 10.8 p -112.16 138.15 49.23 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.65 174.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 43.8 tp -74.74 103.17 4.91 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.18 -44.79 12.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.349 -175.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 63.3 p-90 -151.46 146.94 26.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.967 0.413 . . . . 0.0 110.961 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -131.27 99.15 4.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.646 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.648 ' HB3' ' HB2' ' A' ' 82' ' ' LEU . 16.9 tpt180 -84.03 67.63 9.74 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.106 176.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.7 t70 63.17 -85.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.405 -176.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -98.16 -22.35 15.38 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.39 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.648 ' HB2' ' HB3' ' A' ' 79' ' ' ARG . 81.4 mt -84.59 113.49 21.29 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -179.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.581 HD13 ' CZ2' ' A' ' 49' ' ' TRP . 34.0 mt -108.78 110.51 21.91 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -172.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -99.28 117.11 5.77 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.054 -0.594 . . . . 0.0 112.026 -178.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.66 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 97.5 m-85 -109.14 146.81 33.48 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.933 0.397 . . . . 0.0 111.022 -178.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -104.13 149.13 25.51 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.151 175.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 8.3 p -78.48 119.79 22.28 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.97 0.415 . . . . 0.0 111.777 -176.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.701 HE21 ' HG2' ' A' ' 72' ' ' GLU . 26.0 mt-30 -96.3 -35.85 11.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.652 175.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -167.42 100.53 0.5 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.893 0.378 . . . . 0.0 111.025 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 37.9 mt -89.9 121.08 39.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 175.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.436 ' O ' HG13 ' A' ' 95' ' ' ILE . 18.7 t70 -66.75 150.45 49.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.808 0.337 . . . . 0.0 111.188 -175.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 72.3 mt -61.8 -39.05 90.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.61 -176.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -66.74 -40.92 88.52 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.569 ' HB3' HG23 ' A' ' 69' ' ' ILE . 15.3 m -59.11 -47.44 85.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.765 176.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 91' ' ' ASP . 73.5 mt -60.3 -43.65 94.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.448 178.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 44.5 m -59.15 -44.78 92.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.844 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -69.7 -38.03 76.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.93 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.5 tp -66.48 -41.98 88.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.656 0.265 . . . . 0.0 110.988 -179.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -60.26 -43.97 95.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.01 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.605 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -67.38 -39.74 85.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.573 177.52 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.5 tp -61.37 -46.3 90.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.273 -177.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.461 HG21 HD11 ' A' ' 112' ' ' LEU . 59.4 t -66.1 -36.72 78.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 177.081 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -59.62 -40.32 87.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.793 176.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 85.2 mt -73.46 -8.85 57.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.385 -178.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -106.89 -30.32 8.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.072 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 88.9 mt 62.72 19.7 11.58 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.576 0.547 . . . . 0.0 111.125 -178.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -87.62 53.77 4.35 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.577 -176.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 63.61 111.31 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.73 0.776 . . . . 0.0 112.546 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.444 ' H ' ' CD ' ' A' ' 109' ' ' GLU . 0.3 OUTLIER -73.93 -17.43 61.02 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 173.15 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.59 -28.11 69.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.324 177.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.499 HD22 HH11 ' A' ' 114' ' ' ARG . 43.6 mt -65.36 -20.71 66.51 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.07 0.462 . . . . 0.0 110.508 179.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.461 HD11 HG21 ' A' ' 102' ' ' VAL . 95.2 mt -75.27 -8.16 55.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.07 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -122.43 30.94 6.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.698 0.285 . . . . 0.0 111.448 -177.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.5 HH21 ' HG ' ' A' ' 119' ' ' LEU . 29.2 mtm180 -85.22 -159.07 0.41 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 173.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.47 ' O ' HD13 ' A' ' 119' ' ' LEU . 5.2 tm-20 -116.28 156.95 25.72 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 174.245 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 67.6 tp -54.99 -40.07 69.7 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 117.919 0.327 . . . . 0.0 111.797 -176.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.41 -16.27 63.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.722 0.296 . . . . 0.0 111.738 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 88.5 mt -87.27 -14.97 39.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.235 0.541 . . . . 0.0 110.296 176.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.55 ' HG ' ' OD2' ' A' ' 35' ' ' ASP . 9.8 mp -84.66 79.65 9.52 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 175.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 15.6 t -96.28 149.85 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.421 -173.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 74.4 m -79.3 172.09 14.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.18 177.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -39.88 -48.56 2.33 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.216 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -101.66 135.51 43.05 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 171.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -92.51 -11.54 34.32 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -174.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.0 t70 . . . . . 0 C--O 1.245 0.839 0 CA-C-O 118.465 -0.779 . . . . 0.0 110.07 177.382 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.48 1.025 0 CA-C-O 120.956 0.408 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 p -161.73 137.61 7.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.61 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -78.93 121.24 24.63 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 176.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.408 HE21 ' HB3' ' A' ' 4' ' ' GLN . 12.8 mt-30 -88.52 90.45 8.41 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.277 0.561 . . . . 0.0 110.355 -176.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -92.5 75.21 5.15 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.062 176.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -111.21 -31.66 7.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.415 -176.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.59 ' HB3' ' HG2' ' A' ' 9' ' ' ARG . 35.1 mt-10 -91.62 149.97 21.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.985 -174.444 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 8' ' ' ARG . 15.4 ptt180 -116.92 3.95 12.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.785 173.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.59 ' HG2' ' HB3' ' A' ' 7' ' ' GLU . 1.4 ptp180 -67.68 133.19 48.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.274 177.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.458 ' HB3' ' H ' ' A' ' 11' ' ' PHE . 95.2 mtt180 -105.78 -154.1 0.51 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.829 -179.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.458 ' H ' ' HB3' ' A' ' 10' ' ' ARG . 28.3 m-85 -63.15 99.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.213 -175.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -109.0 123.67 49.5 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 174.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.574 ' HB3' ' OD1' ' A' ' 35' ' ' ASP . 5.6 mtm180 -79.64 -175.85 5.03 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.882 -178.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.67 ' O ' ' HA ' ' A' ' 35' ' ' ASP . 48.3 mm -77.33 89.34 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.845 0.831 . . . . 0.0 111.504 -168.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -150.97 108.99 3.71 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.425 177.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -95.54 165.25 12.43 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -78.66 47.58 0.74 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.765 0.793 . . . . 0.0 110.271 176.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.444 ' HB1' ' O ' ' A' ' 62' ' ' TYR . . . -107.9 174.14 6.01 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.389 -177.336 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.52 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 5.2 m-20 -93.52 130.17 39.48 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 177.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 p -126.94 110.93 13.53 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.956 0.408 . . . . 0.0 111.0 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -112.03 142.13 44.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.476 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 74.9 mt -100.32 124.56 53.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 171.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.532 ' HB2' ' HB2' ' A' ' 58' ' ' GLU . 39.5 mt -112.33 163.51 14.32 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.021 0.439 . . . . 0.0 110.93 -174.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.41 HE21 ' HB2' ' A' ' 24' ' ' GLN . 8.5 tt0 -146.77 72.78 1.29 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 170.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.02 -60.29 2.65 Favored Glycine 0 CA--C 1.522 0.48 0 CA-C-N 115.155 -0.929 . . . . 0.0 113.127 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -121.82 -45.39 2.28 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -172.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 mtm180 -86.41 149.83 24.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.802 0.335 . . . . 0.0 111.307 -172.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -126.2 130.29 50.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.195 -172.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 16.8 m-90 -127.1 106.83 9.53 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.521 0.2 . . . . 0.0 110.775 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -68.7 120.63 14.98 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.4 p -126.79 153.01 35.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.368 -0.378 . . . . 0.0 109.989 -177.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.505 HD13 ' HG3' ' A' ' 45' ' ' GLN . 9.3 mp -80.9 126.97 32.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.729 0.299 . . . . 0.0 110.681 178.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.0 tp -76.93 140.0 40.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.834 176.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -122.74 -36.54 2.88 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 177.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.67 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 12.7 t70 -163.89 160.98 22.74 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 172.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.1 p -157.09 124.91 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.136 0.493 . . . . 0.0 110.17 178.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 69.9 p -132.6 -173.11 3.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.111 0.481 . . . . 0.0 111.254 -175.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.63 HD12 HD12 ' A' ' 90' ' ' ILE . 52.7 tp -79.5 -3.86 48.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.518 0.675 . . . . 0.0 110.661 -177.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.414 ' ND1' ' HA ' ' A' ' 115' ' ' GLU . 2.6 m80 -102.7 -30.72 10.73 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 122.17 0.986 . . . . 0.0 109.221 -175.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.642 ' HA2' ' SG ' ' A' ' 87' ' ' CYS . . . 171.08 178.74 41.8 Favored Glycine 0 N--CA 1.436 -1.313 0 CA-C-N 113.755 -1.566 . . . . 0.0 111.449 -174.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.9 tt -123.22 138.81 51.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-O 120.96 0.41 . . . . 0.0 109.985 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.8 tp -114.05 100.72 8.6 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.295 0.569 . . . . 0.0 110.411 -177.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.5 m -105.71 -175.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 176.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -179.9 121.92 0.76 Allowed Glycine 0 N--CA 1.442 -0.949 0 C-N-CA 119.298 -1.43 . . . . 0.0 113.328 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.505 ' HG3' HD13 ' A' ' 32' ' ' LEU . 1.2 tm0? 177.64 -58.33 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.432 0 O-C-N 124.505 0.767 . . . . 0.0 109.98 176.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.459 ' HD3' ' CB ' ' A' ' 45' ' ' GLN . 2.1 Cg_endo -81.85 149.94 16.12 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 122.288 1.992 . . . . 0.0 112.214 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -116.1 -13.93 11.18 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.338 177.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.95 163.33 22.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.584 179.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -134.47 -179.06 5.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.005 0.431 . . . . 0.0 111.58 -176.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -76.37 -33.3 58.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.402 -178.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -138.01 -86.9 0.17 Allowed Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.35 -177.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.434 ' HB2' ' HG2' ' A' ' 55' ' ' ARG . 22.0 m-20 -142.71 154.59 62.94 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -174.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_exo -60.68 -20.18 64.11 Favored 'Trans proline' 0 CA--C 1.529 0.234 0 C-N-CA 123.136 2.557 . . . . 0.0 111.794 170.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -87.41 3.11 48.4 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.165 -176.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.434 ' HG2' ' HB2' ' A' ' 52' ' ' ASP . 21.4 mmt180 -86.12 130.93 48.19 Favored Pre-proline 0 N--CA 1.449 -0.507 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -49.14 116.64 2.34 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.413 2.742 . . . . 0.0 112.675 177.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.415 ' CD1' ' HE2' ' A' ' 85' ' ' PHE . 27.6 m-85 -108.53 143.27 37.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.102 -179.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.532 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 35.6 mt-10 -116.32 150.68 37.28 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 178.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.459 ' HB3' ' CG ' ' A' ' 71' ' ' MET . . . -116.82 126.01 52.41 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 120.781 0.324 . . . . 0.0 110.293 176.031 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -120.09 105.3 10.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.564 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.766 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 77.8 mt -101.97 130.44 48.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.925 -174.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.52 ' HB2' ' HB2' ' A' ' 19' ' ' ASP . 42.6 m-85 -103.9 93.5 4.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.602 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.51 HD23 HD22 ' A' ' 101' ' ' LEU . 9.9 mp -93.07 -5.92 49.3 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.639 0.733 . . . . 0.0 109.585 177.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 176.77 175.88 44.45 Favored Glycine 0 N--CA 1.44 -1.046 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.628 177.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.3 mp -69.8 -30.19 67.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.075 0.464 . . . . 0.0 110.312 177.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -110.56 3.98 19.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.81 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.2 t -114.7 85.84 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.933 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 45.0 tp -107.89 129.83 55.06 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.121 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.766 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 56.9 mt -113.59 123.05 68.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.637 178.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.2 ptt85 -116.35 144.54 44.13 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 173.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.459 ' CG ' ' HB3' ' A' ' 59' ' ' ALA . 15.8 ptm -158.58 140.18 13.52 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.202 178.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.537 ' HB2' ' HB3' ' A' ' 89' ' ' HIS . 2.3 mp0 -93.01 123.29 36.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.299 -177.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 23.3 pt -128.88 171.61 16.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.046 -176.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.486 ' HB2' ' NE2' ' A' ' 88' ' ' GLN . 9.0 t -140.41 135.88 32.51 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 175.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 44.2 tp -71.57 112.74 7.93 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.093 0.473 . . . . 0.0 110.931 -176.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.14 -55.83 3.64 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.918 -177.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 64.3 p-90 -141.25 142.49 33.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.863 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -137.23 120.35 16.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.019 177.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.0 ttt180 -145.69 138.28 25.76 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.856 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 57.38 -102.98 0.16 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.733 0.646 . . . . 0.0 110.791 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.418 ' O ' HD23 ' A' ' 82' ' ' LEU . . . -133.92 34.51 2.38 Favored Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 175.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.418 HD23 ' O ' ' A' ' 81' ' ' GLY . 82.4 mt -131.99 125.94 32.76 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.0 mp -129.97 119.37 23.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.061 0.458 . . . . 0.0 110.854 -177.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -101.43 119.34 6.46 Favored Glycine 0 N--CA 1.444 -0.823 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.88 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.415 ' HE2' ' CD1' ' A' ' 57' ' ' PHE . 28.1 m-85 -105.15 140.68 37.95 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -85.14 141.44 30.19 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 173.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.642 ' SG ' ' HA2' ' A' ' 40' ' ' GLY . 34.6 m -86.66 107.5 18.22 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 120.921 0.391 . . . . 0.0 110.584 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.486 ' NE2' ' HB2' ' A' ' 74' ' ' SER . 44.9 mt-30 -81.64 -50.27 9.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.636 -178.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.537 ' HB3' ' HB2' ' A' ' 72' ' ' GLU . 8.3 t60 -138.32 98.33 3.58 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.565 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.63 HD12 HD12 ' A' ' 38' ' ' LEU . 25.0 mt -93.96 106.68 18.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 169.045 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -70.58 160.83 31.79 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.987 -172.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.417 ' N ' HD12 ' A' ' 92' ' ' LEU . 6.6 mp -62.82 -36.2 82.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.273 -178.32 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -64.93 -37.73 88.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.83 177.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 35.7 t -63.51 -52.18 62.35 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.33 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 65.8 mt -58.45 -40.21 77.62 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.388 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.64 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 54.7 m -56.33 -53.41 57.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.239 -178.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -67.03 -46.31 74.81 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -176.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.9 -47.51 82.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.01 0.433 . . . . 0.0 110.872 -178.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.415 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 15.8 tpp180 -58.55 -44.53 89.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.007 -179.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.545 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 2.1 mmp_? -55.01 -50.89 67.9 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.271 0.357 . . . . 0.0 111.117 179.109 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.51 HD22 HD23 ' A' ' 63' ' ' LEU . 34.8 tp -64.6 -40.6 95.8 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.317 -178.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 37.5 t -53.71 -48.81 60.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.568 177.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 99' ' ' ARG . 40.2 mt-10 -64.94 -43.41 92.82 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.391 -178.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 75.3 mt -70.1 -35.32 74.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.48 -177.23 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.66 0.73 56.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.557 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 26.0 tp 61.6 40.93 12.89 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.615 0.722 . . . . 0.0 110.376 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -73.52 103.22 1.39 Allowed Glycine 0 N--CA 1.44 -1.066 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 175.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -49.41 129.71 19.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.765 0.317 . . . . 0.0 110.49 175.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.1 -9.85 58.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.975 -175.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -50.63 -53.62 29.33 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.741 0.305 . . . . 0.0 110.576 -179.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.554 HD13 ' HA ' ' A' ' 13' ' ' ARG . 54.1 mt -58.8 -45.14 90.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.86 -178.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.56 -22.16 66.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.536 -176.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -121.01 26.26 9.15 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.505 -169.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.44 ' HB3' ' H ' ' A' ' 115' ' ' GLU . 17.8 ttm180 -93.3 -100.2 0.14 Allowed 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 174.447 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.482 ' HB2' HD12 ' A' ' 118' ' ' LEU . 0.4 OUTLIER -169.33 157.8 7.71 Favored 'General case' 0 C--O 1.223 -0.328 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 170.111 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.401 ' H ' ' CD ' ' A' ' 115' ' ' GLU . 63.4 tp -59.75 -47.4 85.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.993 0.425 . . . . 0.0 110.012 177.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.61 -12.54 61.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.295 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.482 HD12 ' HB2' ' A' ' 115' ' ' GLU . 76.4 mt -96.8 -6.16 36.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.104 0.478 . . . . 0.0 110.354 177.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.5 mp -104.18 158.64 16.3 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.517 -177.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.2 p -151.61 150.07 13.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 63.9 m -68.3 172.28 6.12 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.057 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.519 ' HA ' HH21 ' A' ' 13' ' ' ARG . . . -48.76 -27.6 3.06 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -176.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -87.24 76.4 9.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.311 0.577 . . . . 0.0 111.201 177.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 24.1 p-10 -114.65 -3.09 12.92 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 165.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 9.3 t70 . . . . . 0 C--O 1.251 1.164 0 CA-C-N 113.77 -1.559 . . . . 0.0 108.905 174.672 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ttt . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 120.985 0.421 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 m -141.54 -174.43 4.05 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 176.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -68.88 96.12 0.74 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 171.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -91.8 -5.17 53.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.913 -173.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -76.13 145.0 40.29 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -177.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -145.31 -53.46 0.28 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.939 -178.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.58 145.99 13.99 Favored 'General case' 0 C--O 1.236 0.362 0 O-C-N 123.777 0.673 . . . . 0.0 111.479 -172.194 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.479 ' H ' ' HG2' ' A' ' 8' ' ' ARG . 1.0 OUTLIER -118.69 -9.03 10.29 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.524 -1.216 . . . . 0.0 111.321 -168.321 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -132.95 -63.1 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.107 0.48 . . . . 0.0 111.231 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.462 ' HB3' ' NE2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -168.37 146.28 4.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.489 -173.126 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -66.69 103.69 1.14 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.101 0.477 . . . . 0.0 110.981 -177.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.489 ' O ' ' HB3' ' A' ' 105' ' ' ASN . 96.0 m-70 -131.1 82.11 2.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.339 176.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -130.3 -96.09 0.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 174.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.8 tp -108.76 155.95 9.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 168.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.415 ' HB2' ' HA ' ' A' ' 35' ' ' ASP . . . 70.9 -53.9 0.67 Allowed 'General case' 0 N--CA 1.472 0.665 0 O-C-N 123.491 0.495 . . . . 0.0 110.523 -172.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.6 p90 47.42 -169.67 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 171.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -94.27 101.11 13.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.371 178.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.08 139.19 44.53 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.64 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.557 ' HB3' ' HB2' ' A' ' 62' ' ' TYR . 7.3 t70 -84.58 113.38 21.21 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 174.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.3 t -114.45 137.6 51.64 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.32 0.581 . . . . 0.0 111.834 -171.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.458 ' HB2' ' HB2' ' A' ' 28' ' ' ARG . 8.1 pt-20 -136.23 130.47 33.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.896 172.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.48 ' O ' ' HE3' ' A' ' 29' ' ' TRP . 86.9 mt -98.9 116.34 41.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.892 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.531 ' HB2' ' HB2' ' A' ' 58' ' ' GLU . 3.9 mt -96.03 164.19 12.81 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.186 0.517 . . . . 0.0 110.933 -174.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -144.59 74.36 1.41 Allowed 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.171 -0.922 . . . . 0.0 108.619 166.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.71 -53.4 4.85 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.423 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -135.09 -54.42 0.8 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.673 0.273 . . . . 0.0 111.637 -175.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -78.91 155.5 29.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.047 -173.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.458 ' HB2' ' HB2' ' A' ' 21' ' ' GLU . 33.9 ptt180 -133.46 131.34 39.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.482 0.658 . . . . 0.0 111.848 -178.224 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.548 ' HZ2' ' HB3' ' A' ' 50' ' ' ASN . 28.0 m-90 -95.99 114.11 25.79 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.949 173.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -69.25 129.25 39.3 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 174.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.7 p -147.82 148.13 16.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.533 -175.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.3 mp -84.89 124.18 31.33 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.189 176.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.5 tp -72.43 141.15 48.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.147 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -124.79 -19.15 5.38 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.456 179.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.415 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . 7.6 t70 -175.48 158.84 2.33 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 172.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.3 p -160.4 141.39 3.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.876 0.369 . . . . 0.0 110.542 -177.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.9 p -158.7 -166.48 1.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.823 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.9 mt -101.54 20.16 16.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.341 0.591 . . . . 0.0 110.569 -177.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -141.89 15.97 2.12 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.765 177.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.81 162.41 9.88 Favored Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.349 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.471 ' CG2' ' HB2' ' A' ' 85' ' ' PHE . 7.7 tt -137.94 133.5 44.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.66 HD11 ' HB3' ' A' ' 82' ' ' LEU . 43.2 tp -112.99 122.33 47.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.151 0.501 . . . . 0.0 110.797 -175.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.4 m -126.7 166.37 23.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.777 178.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -115.46 93.73 0.63 Allowed Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 176.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.827 ' HB3' HD12 ' A' ' 83' ' ' LEU . 49.7 tt0 -115.79 113.05 42.46 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-O 121.007 0.432 . . . . 0.0 111.937 -170.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 45' ' ' GLN . 1.9 Cg_endo -83.71 -9.69 9.87 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 123.529 2.819 . . . . 0.0 111.534 171.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -73.12 138.34 45.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.114 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -79.45 148.01 32.07 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.551 -173.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.541 ' HA ' ' CE3' ' A' ' 49' ' ' TRP . 4.5 m95 -75.71 134.14 40.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.372 177.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.548 ' HB3' ' HZ2' ' A' ' 29' ' ' TRP . 28.2 p-10 -65.48 -32.03 73.42 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.43 -171.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -142.37 -69.1 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.36 -0.924 . . . . 0.0 112.074 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -152.01 138.62 11.99 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.479 ' O ' ' HB3' ' A' ' 75' ' ' LEU . 20.0 Cg_endo -61.66 -18.05 57.99 Favored 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 123.006 2.471 . . . . 0.0 113.927 -178.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -81.37 0.44 37.32 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.908 -0.495 . . . . 0.0 110.968 -177.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.8 mtp85 -79.18 147.05 68.49 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 175.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -65.52 131.95 29.55 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.644 2.229 . . . . 0.0 112.707 -176.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.412 ' HB2' HG13 ' A' ' 73' ' ' ILE . 70.4 m-85 -119.43 166.19 13.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.021 179.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.531 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 29.8 mt-10 -127.31 131.79 50.39 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.607 ' O ' ' HA ' ' A' ' 70' ' ' ARG . . . -98.85 108.41 21.09 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 121.135 -0.226 . . . . 0.0 110.476 179.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.504 ' HA ' ' O ' ' A' ' 69' ' ' ILE . 37.5 ttp180 -113.77 111.53 21.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.093 0.473 . . . . 0.0 110.2 177.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.655 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 81.8 mt -105.62 125.45 51.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.268 -176.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.557 ' HB2' ' HB3' ' A' ' 19' ' ' ASP . 58.4 m-85 -93.38 111.29 22.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.218 175.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.813 HD13 HD22 ' A' ' 101' ' ' LEU . 80.2 mt -107.81 -10.03 15.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.515 0.674 . . . . 0.0 110.094 177.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 177.2 -162.34 30.39 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.498 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.9 mp -90.78 -16.32 28.58 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 117.159 0.48 . . . . 0.0 110.46 177.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -108.01 -42.09 4.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.995 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.9 t -84.32 96.83 4.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.053 0.454 . . . . 0.0 111.1 -177.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.5 tp -116.99 120.62 38.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.598 176.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.655 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 62.7 mt -99.06 138.36 23.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.539 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.607 ' HA ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -143.17 143.83 31.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.682 -0.236 . . . . 0.0 110.422 175.239 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.461 ' HA ' ' NH2' ' A' ' 70' ' ' ARG . 25.9 ptt? -161.82 152.92 18.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.356 175.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.53 ' HB2' ' HB3' ' A' ' 89' ' ' HIS . 57.5 mp0 -86.04 129.43 34.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.894 0.378 . . . . 0.0 110.442 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.523 HG22 ' HA ' ' A' ' 87' ' ' CYS . 19.0 pt -133.07 163.58 37.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -177.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.3 t -139.45 136.63 34.84 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 175.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.479 ' HB3' ' O ' ' A' ' 53' ' ' PRO . 1.5 tm? -76.72 112.49 13.35 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -177.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -123.18 -4.72 8.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.409 0.623 . . . . 0.0 110.223 176.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.542 ' CZ3' ' HB2' ' A' ' 79' ' ' ARG . 9.8 t90 -132.28 134.34 45.16 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-O 122.116 0.96 . . . . 0.0 109.483 -177.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.433 ' HB2' HD11 ' A' ' 75' ' ' LEU . . . -155.04 99.38 2.1 Favored 'General case' 0 C--N 1.284 -2.274 0 CA-C-N 113.715 -1.584 . . . . 0.0 110.632 -175.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.542 ' HB2' ' CZ3' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -103.42 76.18 1.4 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.672 178.268 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 36.9 t70 63.07 -88.52 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.349 -177.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -108.23 -12.12 22.46 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.386 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.66 ' HB3' HD11 ' A' ' 42' ' ' LEU . 96.2 mt -88.08 112.91 23.19 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 176.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.827 HD12 ' HB3' ' A' ' 45' ' ' GLN . 95.1 mt -102.59 122.39 44.29 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.782 -175.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -109.71 107.79 2.41 Favored Glycine 0 N--CA 1.444 -0.825 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.764 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.516 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 57.8 m-85 -93.16 128.52 39.14 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.31 138.27 33.62 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 173.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.523 ' HA ' HG22 ' A' ' 73' ' ' ILE . 3.7 p -84.82 114.25 21.95 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.017 -175.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -82.74 -55.24 4.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.462 -178.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.53 ' HB3' ' HB2' ' A' ' 72' ' ' GLU . 28.6 t60 -126.49 112.26 15.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.364 -176.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.423 HD11 ' HB2' ' A' ' 87' ' ' CYS . 1.9 mp -118.18 115.79 49.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.996 176.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.401 ' O ' HG13 ' A' ' 95' ' ' ILE . 5.3 p-10 -83.04 159.9 22.07 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.807 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 40.8 tp -62.93 -29.96 71.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.155 -177.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.68 -47.93 70.88 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.2 t -56.13 -49.34 74.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.226 175.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 91' ' ' ASP . 77.1 mt -57.65 -48.6 82.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.439 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.3 p -64.2 -37.93 89.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.69 -175.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -69.72 -43.78 71.68 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.54 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -66.14 -53.93 31.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.225 -177.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -57.85 -46.41 84.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.55 -178.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.596 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 30.5 ttt180 -65.84 -36.19 82.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.131 -173.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.813 HD22 HD13 ' A' ' 63' ' ' LEU . 25.4 tp -64.7 -40.83 96.03 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.503 179.103 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 56.2 t -60.74 -39.26 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.265 177.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -68.53 -35.14 77.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.769 177.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 93.5 mt -72.25 -20.78 61.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.299 -178.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.489 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 48.9 m-80 -118.04 8.81 12.56 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -175.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 31.0 tp 57.35 46.53 18.21 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.472 0.653 . . . . 0.0 110.779 178.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.427 ' O ' HD12 ' A' ' 111' ' ' LEU . . . -80.2 -4.38 89.81 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.602 -0.727 . . . . 0.0 113.032 -177.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.7 t70 74.87 126.6 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.239 0.616 . . . . 0.0 111.508 178.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -78.13 -15.62 58.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.455 -174.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -80.06 -30.32 39.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.689 0.28 . . . . 0.0 110.623 -177.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 107' ' ' GLY . 75.1 mt -62.89 -26.27 68.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.266 0.555 . . . . 0.0 110.34 176.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.428 ' O ' HD23 ' A' ' 112' ' ' LEU . 9.9 tt -75.15 -18.75 60.14 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.178 177.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -109.95 26.8 10.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.653 -171.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -78.14 -157.51 0.11 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 167.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.541 ' O ' HD13 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -128.13 158.88 36.8 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 172.701 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.468 HD21 ' HB2' ' A' ' 77' ' ' TRP . 29.9 tp -50.39 -45.39 55.45 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.088 0.243 . . . . 0.0 111.356 178.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.48 -7.27 36.57 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 178.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.424 ' HB2' ' H ' ' A' ' 115' ' ' GLU . 49.4 mt -107.8 -8.51 16.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.641 0.258 . . . . 0.0 110.628 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.541 HD13 ' O ' ' A' ' 115' ' ' GLU . 2.5 mp -79.75 97.13 6.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.495 0.664 . . . . 0.0 111.401 -173.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 20.7 t -90.89 154.91 3.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.842 174.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.0 p -62.93 171.67 2.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.738 0.304 . . . . 0.0 111.63 -178.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -46.55 -35.33 5.69 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.132 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -110.39 144.23 39.46 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 174.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -131.96 136.65 47.49 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 177.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 28.1 t70 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.543 -0.742 . . . . 0.0 109.659 -179.639 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.922 0.391 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.2 m -135.49 118.07 15.93 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.286 176.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -102.79 97.8 7.91 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -101.9 45.0 0.98 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.641 0.734 . . . . 0.0 110.703 -175.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -92.47 -18.02 23.75 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.039 175.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.2 t70 70.8 127.12 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.841 -174.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -101.19 172.37 7.04 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -167.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 8' ' ' ARG . 13.5 mtm180 73.79 175.76 0.26 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-N 114.339 -1.301 . . . . 0.0 112.927 168.269 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.9 mtt85 -81.61 95.32 7.13 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.66 -178.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.462 ' HD2' ' HA ' ' A' ' 10' ' ' ARG . 15.2 tpt180 -87.61 102.5 14.67 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 175.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -80.42 129.91 34.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.064 -175.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -128.51 -48.82 1.28 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.841 173.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.428 ' HB3' ' OD2' ' A' ' 35' ' ' ASP . 65.5 mtt180 -130.53 -176.09 3.86 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.435 176.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.61 ' O ' ' HA ' ' A' ' 35' ' ' ASP . 50.2 mm -69.9 93.9 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.661 0.743 . . . . 0.0 112.193 -168.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.67 123.25 11.78 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.52 175.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -120.01 -173.24 2.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.942 -177.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -83.17 13.79 3.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.077 0.465 . . . . 0.0 110.22 174.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.582 ' HA ' ' O ' ' A' ' 62' ' ' TYR . . . -75.96 119.42 19.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.953 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -86.27 137.88 32.28 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 171.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.523 ' HA ' ' O ' ' A' ' 60' ' ' ARG . 22.8 t -116.08 131.61 56.89 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.861 -172.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.574 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 51.5 mt-10 -107.87 126.51 52.75 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.744 176.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.541 HG21 ' HH2' ' A' ' 49' ' ' TRP . 70.8 mt -99.8 107.52 20.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 170.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.695 ' HG ' ' HB2' ' A' ' 58' ' ' GLU . 0.3 OUTLIER -117.46 163.49 16.3 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.169 -178.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -142.42 70.84 1.33 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.999 178.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.96 -68.6 2.25 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.292 -0.867 . . . . 0.0 113.282 -179.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.475 ' HG2' ' HG3' ' A' ' 27' ' ' ARG . 38.1 tt0 -89.21 -64.03 1.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -174.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.475 ' HG3' ' HG2' ' A' ' 26' ' ' GLU . 46.2 mtt85 -106.79 157.36 17.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.982 0.42 . . . . 0.0 111.796 -170.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.593 ' HG2' ' HB3' ' A' ' 23' ' ' LEU . 35.6 mtt-85 -129.45 132.55 46.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.21 -173.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 26.2 m-90 -130.93 117.71 19.63 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.574 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 0.5 OUTLIER -77.33 152.55 34.45 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.338 0.589 . . . . 0.0 110.798 -177.757 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.5 p -135.5 157.67 39.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.699 -172.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.4 mt -80.93 120.99 25.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.889 178.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.6 tp -73.75 134.24 43.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.775 175.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -120.75 -37.16 3.04 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.499 178.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.61 ' HA ' ' O ' ' A' ' 14' ' ' ILE . 6.4 t70 -168.91 162.21 11.14 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 173.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.454 HG23 ' HB ' ' A' ' 41' ' ' ILE . 8.1 p -161.85 142.44 3.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.082 0.468 . . . . 0.0 110.743 -178.501 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.427 ' HB2' ' O ' ' A' ' 112' ' ' LEU . 69.9 p -134.33 -174.33 3.53 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.256 179.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.408 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 50.2 tp -79.06 -1.98 38.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.72 0.771 . . . . 0.0 109.979 176.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.58 ' ND1' ' HA ' ' A' ' 115' ' ' GLU . 5.4 m170 -105.5 -45.26 4.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.749 -175.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.484 ' HA3' HD13 ' A' ' 116' ' ' LEU . . . -164.82 168.63 39.15 Favored Glycine 0 N--CA 1.444 -0.832 0 CA-C-N 114.495 -1.23 . . . . 0.0 112.289 -178.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.454 ' HB ' HG23 ' A' ' 36' ' ' VAL . 13.4 tt -121.75 138.47 51.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.755 0.312 . . . . 0.0 110.465 -178.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.552 HD11 ' HB3' ' A' ' 82' ' ' LEU . 65.7 tp -112.84 111.22 21.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.178 0.514 . . . . 0.0 110.145 179.02 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.2 m -116.21 171.21 5.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.755 -179.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.466 ' HA2' ' O ' ' A' ' 81' ' ' GLY . . . -131.07 118.51 2.43 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.461 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -108.05 154.07 41.39 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 178.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -60.6 -64.67 0.09 OUTLIER 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.698 2.265 . . . . 0.0 112.262 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -164.79 -46.07 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -67.74 146.21 53.98 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -172.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.76 ' HA ' ' HE3' ' A' ' 49' ' ' TRP . 0.0 OUTLIER -151.68 -170.42 3.65 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.186 -178.365 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -88.19 -65.12 1.05 Allowed 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 121.183 -0.207 . . . . 0.0 111.087 -177.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.57 -60.31 0.04 OUTLIER Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 119.935 -1.126 . . . . 0.0 112.972 176.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -139.14 154.17 72.03 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-O 120.604 0.24 . . . . 0.0 110.892 -173.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.458 ' HA ' HD23 ' A' ' 75' ' ' LEU . 83.4 Cg_endo -81.13 -1.3 11.08 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.954 2.436 . . . . 0.0 113.737 -176.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -81.44 -18.09 46.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.368 0.604 . . . . 0.0 109.628 -178.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 66.3 mtt85 -83.48 124.84 75.18 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.443 176.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.28 158.23 58.45 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 123.129 2.553 . . . . 0.0 112.788 -176.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.448 ' CD1' ' HE1' ' A' ' 85' ' ' PHE . 71.5 m-85 -133.0 160.99 35.54 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -175.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.695 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 34.0 mt-10 -116.16 130.92 57.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.952 179.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.444 ' HB2' HD13 ' A' ' 73' ' ' ILE . . . -119.22 127.94 53.74 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.856 0.36 . . . . 0.0 110.762 178.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.664 ' HG3' HD21 ' A' ' 23' ' ' LEU . 35.6 mtm180 -118.12 136.7 53.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.807 175.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.876 ' HB2' ' HB ' ' A' ' 69' ' ' ILE . 95.1 mt -116.38 120.08 37.7 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.961 -177.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.582 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 68.6 m-85 -86.75 90.91 8.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.394 175.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.603 ' HG ' HD22 ' A' ' 101' ' ' LEU . 10.9 mp -85.25 -29.56 24.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.398 0.618 . . . . 0.0 109.766 179.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -162.04 -172.02 28.9 Favored Glycine 0 N--CA 1.442 -0.955 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -73.86 -39.05 64.26 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.204 0.526 . . . . 0.0 109.613 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -97.75 -8.88 27.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.831 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.9 t -106.49 88.77 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.126 0.489 . . . . 0.0 110.904 -176.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 62.3 tp -104.45 111.57 24.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.57 175.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.876 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 49.1 mm -90.5 135.96 25.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.64 -177.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -119.84 144.72 47.21 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.3 ptm -155.23 127.94 8.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.484 0.659 . . . . 0.0 111.272 178.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.51 ' HB3' ' HB3' ' A' ' 89' ' ' HIS . 9.6 tp10 -78.27 123.11 26.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.378 176.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.786 ' HB ' ' HB3' ' A' ' 85' ' ' PHE . 28.0 pt -130.23 141.75 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.45 0.643 . . . . 0.0 112.454 -175.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.2 t -114.94 124.27 51.26 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 173.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 53' ' ' PRO . 28.9 tp -66.13 106.72 1.71 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.061 0.458 . . . . 0.0 110.576 -176.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.59 -44.73 12.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.151 -175.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 60.4 p-90 -150.45 138.95 20.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.996 0.427 . . . . 0.0 111.028 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -134.12 113.15 11.75 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.906 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 79' ' ' ARG . 20.2 ttt180 -136.31 133.2 36.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.052 -178.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.5 t70 66.77 -80.12 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.375 0 O-C-N 124.11 0.881 . . . . 0.0 110.626 178.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.466 ' O ' ' HA2' ' A' ' 44' ' ' GLY . . . -152.63 -1.26 0.21 Allowed Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 175.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.552 ' HB3' HD11 ' A' ' 42' ' ' LEU . 97.5 mt -98.39 123.33 42.46 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.2 mp -117.65 120.55 38.35 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.39 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -97.54 108.9 3.72 Favored Glycine 0 N--CA 1.441 -0.995 0 N-CA-C 111.291 -0.723 . . . . 0.0 111.291 177.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.786 ' HB3' ' HB ' ' A' ' 73' ' ' ILE . 92.5 m-85 -96.35 125.02 40.56 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.804 0.335 . . . . 0.0 110.439 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -82.88 120.75 26.07 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 176.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.723 ' SG ' HG13 ' A' ' 90' ' ' ILE . 8.9 t -78.23 125.73 29.78 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.243 0.544 . . . . 0.0 110.381 -173.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.491 ' HB2' ' HG3' ' A' ' 72' ' ' GLU . 37.4 mt-30 -90.14 -34.67 15.78 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.714 -176.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.51 ' HB3' ' HB3' ' A' ' 72' ' ' GLU . 74.7 t60 -143.64 110.91 5.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.699 -177.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.723 HG13 ' SG ' ' A' ' 87' ' ' CYS . 0.7 OUTLIER -110.64 107.75 23.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 174.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.502 ' O ' HG13 ' A' ' 95' ' ' ILE . 12.6 m-20 -60.79 143.5 54.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.64 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.4 mp -60.16 -40.02 88.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.07 0.462 . . . . 0.0 110.376 -178.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -64.25 -41.13 97.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.205 177.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.46 ' OG ' HG23 ' A' ' 69' ' ' ILE . 47.4 t -58.07 -49.04 78.28 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.416 175.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 91' ' ' ASP . 59.8 mt -58.97 -44.96 92.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.614 178.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.521 ' O ' ' HG2' ' A' ' 100' ' ' ARG . 4.9 t -60.19 -50.31 74.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.846 -177.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.51 ' HB2' HD11 ' A' ' 69' ' ' ILE . 79.3 m-70 -64.73 -35.24 80.41 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.553 0.216 . . . . 0.0 110.914 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.418 ' O ' HG23 ' A' ' 102' ' ' VAL . 55.5 tp -61.47 -48.7 79.91 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 178.044 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 35.4 ttt85 -63.94 -29.28 70.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.704 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.557 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 35.3 mmt180 -58.03 -51.71 68.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.664 0.269 . . . . 0.0 110.371 175.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.603 HD22 ' HG ' ' A' ' 63' ' ' LEU . 48.1 tp -64.69 -42.4 95.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.703 -179.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.841 HG21 HD11 ' A' ' 112' ' ' LEU . 96.2 t -60.49 -36.38 69.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.039 0.447 . . . . 0.0 110.642 178.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -70.32 -49.59 47.9 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.925 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 72.7 mt -67.29 -34.13 76.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.082 -178.37 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -90.43 -7.95 51.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.654 -176.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 86.5 mt 60.84 39.57 16.84 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.819 -179.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -84.94 7.76 73.2 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.68 -0.691 . . . . 0.0 114.244 -172.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.4 t70 70.23 119.14 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.466 0.65 . . . . 0.0 111.855 177.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -78.3 -21.17 50.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.592 -177.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -65.77 -38.42 88.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.36 . . . . 0.0 110.973 -177.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.46 ' HB2' HD11 ' A' ' 14' ' ' ILE . 96.9 mt -57.02 -30.93 64.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.226 177.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.841 HD11 HG21 ' A' ' 102' ' ' VAL . 75.4 mt -74.79 -16.09 60.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.43 -177.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -113.84 26.11 10.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.71 0.29 . . . . 0.0 111.259 -172.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -77.8 -99.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 174.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.58 ' HA ' ' ND1' ' A' ' 39' ' ' HIS . 0.2 OUTLIER -178.84 162.31 1.3 Allowed 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 176.226 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.484 HD13 ' HA3' ' A' ' 40' ' ' GLY . 52.1 tp -62.72 -42.4 99.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.101 0.477 . . . . 0.0 109.858 177.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.32 -6.42 49.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.464 175.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.448 HD12 ' HB2' ' A' ' 115' ' ' GLU . 82.5 mt -108.58 4.19 23.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.952 0.406 . . . . 0.0 110.449 177.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.538 HD13 ' O ' ' A' ' 115' ' ' GLU . 1.9 mp -100.09 102.86 14.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.243 0.544 . . . . 0.0 111.051 -177.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 20.7 t -97.92 154.93 3.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 174.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.5 p -61.6 171.93 1.38 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.634 -178.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -46.13 -41.67 12.75 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.62 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -108.97 155.01 21.36 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 172.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.414 ' HB3' HH12 ' A' ' 13' ' ' ARG . 6.1 p-10 -132.87 142.4 48.91 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.86 0.362 . . . . 0.0 110.323 178.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 . . . . . 0 C--O 1.245 0.866 0 CA-C-O 118.817 -0.611 . . . . 0.0 109.863 179.566 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 tmt? . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 m 64.42 104.82 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.158 0 O-C-N 123.745 0.653 . . . . 0.0 111.404 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -52.34 118.01 3.24 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.805 -179.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -61.45 126.57 27.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.82 -177.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -160.79 95.98 1.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.519 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.437 ' OD2' ' HA ' ' A' ' 10' ' ' ARG . 5.9 p-10 -98.31 -20.9 16.93 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 174.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' A' ' 8' ' ' ARG . 6.4 tm-20 -50.03 153.23 1.42 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.338 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.465 ' HB3' ' O ' ' A' ' 7' ' ' GLU . 79.1 ttt180 90.41 -19.56 0.15 Allowed 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.771 1.228 . . . . 0.0 110.122 -175.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -144.67 -34.6 0.36 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.315 176.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.437 ' HA ' ' OD2' ' A' ' 6' ' ' ASP . 26.1 mtp180 60.37 43.52 13.33 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.709 0.766 . . . . 0.0 109.535 -176.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -68.64 110.42 4.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.434 -172.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.653 ' CE1' ' HA ' ' A' ' 122' ' ' ALA . 8.2 m170 -88.38 113.86 24.41 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 171.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.582 ' HD3' ' HA2' ' A' ' 107' ' ' GLY . 99.4 mtt180 -63.33 -18.6 63.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.991 0.424 . . . . 0.0 110.704 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.4 HD12 HD21 ' A' ' 112' ' ' LEU . 48.3 mm -108.45 88.67 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 168.207 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 165.99 98.38 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.793 1.237 . . . . 0.0 107.784 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -85.11 -13.62 49.68 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -166.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 t70 62.02 17.54 9.13 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 122.272 1.034 . . . . 0.0 109.714 -176.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.14 155.96 36.45 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.808 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.548 ' HB3' ' HB2' ' A' ' 62' ' ' TYR . 13.2 t70 -69.94 118.28 12.58 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 177.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 t -117.02 125.17 50.95 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.122 0.487 . . . . 0.0 110.894 -176.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -120.26 125.17 47.44 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 172.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.539 HG13 HG11 ' A' ' 31' ' ' VAL . 62.5 mt -102.5 130.77 51.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 171.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -138.12 170.94 15.16 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 120.982 0.42 . . . . 0.0 110.866 -177.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.422 ' NE2' ' HB2' ' A' ' 55' ' ' ARG . 30.7 tt0 -127.09 37.93 4.18 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 175.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.4 -55.69 4.85 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 114.739 -1.119 . . . . 0.0 113.087 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -83.33 -37.86 22.83 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -173.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -133.57 142.79 48.31 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 -178.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -119.15 147.03 44.64 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 123.517 0.511 . . . . 0.0 110.833 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.588 ' HH2' ' HB2' ' A' ' 50' ' ' ASN . 14.5 m-90 -128.61 131.26 48.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.25 178.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -69.88 108.18 3.87 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 172.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.574 HG23 ' HB2' ' A' ' 45' ' ' GLN . 11.0 p -105.33 152.36 7.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.859 -178.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 mp -92.31 114.47 27.02 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.797 0.332 . . . . 0.0 110.497 178.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.6 tp -68.1 147.99 51.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.175 177.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.443 ' HB2' ' O ' ' A' ' 42' ' ' LEU . 87.4 m-70 -139.27 -89.56 0.2 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.243 178.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -126.83 140.5 52.31 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -174.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.533 HG23 ' HB ' ' A' ' 41' ' ' ILE . 14.1 p -141.54 159.81 21.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 116.835 -0.166 . . . . 0.0 111.234 -171.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 89.2 p -159.94 -173.78 4.25 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.583 0.23 . . . . 0.0 110.64 177.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.4 mt -93.55 14.75 17.87 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.332 0.587 . . . . 0.0 110.323 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -139.83 18.91 2.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.49 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.614 ' HA3' HD13 ' A' ' 116' ' ' LEU . . . 144.72 163.84 10.25 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.328 -0.939 . . . . 0.0 112.532 177.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.533 ' HB ' HG23 ' A' ' 36' ' ' VAL . 9.4 tt -140.37 136.07 36.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -179.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.525 HD11 ' HB3' ' A' ' 82' ' ' LEU . 49.9 tp -115.0 113.37 24.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.035 0.445 . . . . 0.0 110.259 -178.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.0 m -127.58 175.93 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.03 -179.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 81' ' ' GLY . . . -124.95 125.35 5.66 Favored Glycine 0 N--CA 1.449 -0.433 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.705 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.604 ' HG2' ' H ' ' A' ' 47' ' ' GLN . 24.7 tt0 -140.06 118.74 8.61 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-O 120.57 0.224 . . . . 0.0 110.769 -177.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -86.49 6.61 5.33 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.896 2.397 . . . . 0.0 112.592 177.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.604 ' H ' ' HG2' ' A' ' 45' ' ' GLN . 49.0 mt-30 -104.03 170.39 7.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.558 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -97.98 -161.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.082 -177.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -114.53 172.15 7.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.987 0.422 . . . . 0.0 111.751 -178.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.588 ' HB2' ' HH2' ' A' ' 29' ' ' TRP . 10.4 t30 -80.91 -71.93 0.44 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.575 -173.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -119.44 -65.44 0.29 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.443 -177.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.422 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 6.5 t70 -146.99 133.31 9.65 Favored Pre-proline 0 N--CA 1.448 -0.545 0 O-C-N 122.667 -0.314 . . . . 0.0 110.321 -176.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 52' ' ' ASP . 37.6 Cg_exo -60.13 -17.02 43.21 Favored 'Trans proline' 0 CA--C 1.532 0.404 0 C-N-CA 123.691 2.928 . . . . 0.0 113.396 176.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -73.54 -12.27 60.72 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.212 0.529 . . . . 0.0 110.698 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.422 ' HB2' ' NE2' ' A' ' 24' ' ' GLN . 65.6 mtp180 -91.03 147.59 36.09 Favored Pre-proline 0 N--CA 1.444 -0.741 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.829 177.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -51.72 146.69 26.65 Favored 'Trans proline' 0 C--O 1.239 0.537 0 C-N-CA 123.1 2.533 . . . . 0.0 112.844 177.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -117.88 138.24 52.25 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 173.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.508 ' O ' ' HA ' ' A' ' 22' ' ' ILE . 2.9 mp0 -103.95 125.64 50.49 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.614 -177.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -105.73 113.99 27.89 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.7 177.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.496 ' CG ' HD11 ' A' ' 68' ' ' LEU . 40.8 ttm180 -116.06 119.09 34.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.552 -178.156 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 67.6 mt -107.73 119.1 38.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.547 -178.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.548 ' HB2' ' HB3' ' A' ' 19' ' ' ASP . 35.5 m-85 -94.08 117.39 30.04 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.511 178.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.558 HD11 HD22 ' A' ' 101' ' ' LEU . 71.0 mt -101.11 -19.85 15.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.698 0.761 . . . . 0.0 109.043 170.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -166.95 -158.97 11.81 Favored Glycine 0 N--CA 1.443 -0.884 0 N-CA-C 109.996 -1.241 . . . . 0.0 109.996 178.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 65' ' ' LEU . 4.1 tt -81.41 -35.41 30.74 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 117.638 0.719 . . . . 0.0 109.206 177.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -96.71 -45.61 6.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.26 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 32.5 t -70.9 98.12 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-O 121.248 0.547 . . . . 0.0 109.993 -177.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.496 HD11 ' CG ' ' A' ' 60' ' ' ARG . 33.9 tp -130.19 113.11 14.06 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.573 -174.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.476 ' N ' HD12 ' A' ' 69' ' ' ILE . 3.5 mp -94.27 107.94 20.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 177.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.788 ' H ' ' HD3' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -115.16 127.94 55.87 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.786 -179.688 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.1 ptm -136.94 154.27 50.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.597 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.579 ' HB3' ' HB3' ' A' ' 89' ' ' HIS . 34.7 tt0 -111.66 119.62 39.29 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -176.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.546 HG22 ' HA ' ' A' ' 87' ' ' CYS . 15.7 pt -123.22 161.46 24.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.4 -171.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 p -122.52 126.18 47.28 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.144 175.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 57.6 tp -63.44 122.07 15.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.968 0.413 . . . . 0.0 111.246 -177.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.482 ' HB2' ' HG2' ' A' ' 86' ' ' GLU . . . -95.33 -55.04 3.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 -178.24 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 66.1 p-90 -145.86 144.65 30.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.126 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -129.82 119.78 23.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.274 178.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.1 mmt85 -125.46 103.04 7.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.332 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 65.86 -84.09 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.404 175.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.416 ' O ' ' HA2' ' A' ' 44' ' ' GLY . . . -128.24 -5.34 5.18 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 121.161 -0.543 . . . . 0.0 112.334 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.525 ' HB3' HD11 ' A' ' 42' ' ' LEU . 98.8 mt -105.26 121.12 43.2 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.2 mp -119.07 128.94 54.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.659 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.96 119.13 5.81 Favored Glycine 0 N--CA 1.443 -0.891 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.428 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -106.82 138.41 43.05 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.482 ' HG2' ' HB2' ' A' ' 76' ' ' ALA . 6.0 mm-40 -82.73 127.73 33.7 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 173.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.777 ' HB2' HD11 ' A' ' 90' ' ' ILE . 6.8 p -71.77 102.57 2.87 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.222 178.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -86.23 -57.83 2.87 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.131 -173.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.579 ' HB3' ' HB3' ' A' ' 72' ' ' GLU . 50.5 t60 -126.24 101.37 6.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.193 0.52 . . . . 0.0 110.786 -176.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.777 HD11 ' HB2' ' A' ' 87' ' ' CYS . 1.9 mp -113.92 111.03 34.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 175.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -78.98 169.19 18.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.861 0.363 . . . . 0.0 110.559 -176.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.565 HD12 ' N ' ' A' ' 93' ' ' ASP . 1.3 pp -63.39 -32.59 74.07 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -174.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.565 ' N ' HD12 ' A' ' 92' ' ' LEU . 32.3 t70 -71.45 -35.53 70.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.238 0.542 . . . . 0.0 109.634 -178.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.5 t -67.33 -47.23 71.12 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.356 178.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 72.4 mt -60.59 -42.01 90.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.97 179.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.2 t -60.01 -52.07 66.96 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.475 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -61.92 -47.22 85.91 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.944 0.402 . . . . 0.0 110.513 178.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 47.0 tp -61.92 -56.05 23.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.975 -174.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 51.2 ttt-85 -66.14 -38.59 88.51 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.876 -0.329 . . . . 0.0 111.058 -173.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.46 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 56.1 mtt180 -68.51 -26.52 65.49 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.368 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.558 HD22 HD11 ' A' ' 63' ' ' LEU . 33.4 tp -68.27 -39.39 82.19 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 176.005 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.71 HG21 HD11 ' A' ' 112' ' ' LEU . 58.1 t -67.41 -40.11 83.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.021 173.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -62.43 -41.57 98.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.007 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 100' ' ' ARG . 81.9 mt -62.64 -35.47 79.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.955 0.407 . . . . 0.0 111.335 178.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -93.42 2.71 56.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.103 -178.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.9 mt 55.99 38.12 29.61 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.588 0.555 . . . . 0.0 110.979 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.582 ' HA2' ' HD3' ' A' ' 13' ' ' ARG . . . -66.46 -27.75 73.3 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.943 -176.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.2 t70 71.35 150.55 0.1 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.217 0.607 . . . . 0.0 110.479 -176.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -87.12 -1.67 58.06 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.713 0.635 . . . . 0.0 112.713 -172.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -56.45 -43.55 79.61 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.465 0.65 . . . . 0.0 109.722 173.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 42.6 mt -62.98 -31.01 72.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.833 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.71 HD11 HG21 ' A' ' 102' ' ' VAL . 92.2 mt -94.58 1.64 55.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.972 -175.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -131.44 28.2 4.67 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -175.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 25.0 mtt180 -78.44 -95.83 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 173.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.531 ' HB2' HD12 ' A' ' 118' ' ' LEU . 3.4 mm-40 -174.41 168.4 3.89 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 172.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.614 HD13 ' HA3' ' A' ' 40' ' ' GLY . 67.2 tp -64.88 -49.93 68.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 118.23 0.468 . . . . 0.0 110.094 178.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.65 -18.87 65.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.742 176.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.531 HD12 ' HB2' ' A' ' 115' ' ' GLU . 97.0 mt -95.33 1.81 54.5 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.912 0.386 . . . . 0.0 110.639 178.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 119' ' ' LEU . 2.2 tp -98.07 108.62 21.37 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.186 0.517 . . . . 0.0 110.394 -176.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.821 ' HB ' ' HB2' ' A' ' 124' ' ' ASP . 30.8 m -88.02 171.99 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.754 177.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 98.0 p -100.91 171.68 7.5 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.869 0.366 . . . . 0.0 110.509 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.653 ' HA ' ' CE1' ' A' ' 12' ' ' HIS . . . -52.29 -14.79 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -103.17 -2.28 27.59 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.197 -0.601 . . . . 0.0 111.676 -179.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.821 ' HB2' ' HB ' ' A' ' 120' ' ' VAL . 32.2 m-20 -97.78 88.67 4.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.677 0.275 . . . . 0.0 110.864 -177.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 . . . . . 0 C--O 1.251 1.156 0 CA-C-O 118.481 -0.771 . . . . 0.0 109.271 175.996 . . . . . . . . 0 0 . 1 stop_ save_