data_2fuh_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 2fuh _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 ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.615 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 2.6 mm? -58.6 -36.92 74.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.216 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.405 ' HG3' ' H ' ' A' ' 5' ' ' ARG . 9.3 pttt -79.13 -49.22 12.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.747 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.405 ' H ' ' HG3' ' A' ' 4' ' ' LYS . 4.6 ttm180 -57.44 -55.36 35.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.801 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.4 mt -53.02 -38.92 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.566 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -66.3 -19.86 65.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.615 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.86 -50.08 74.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.437 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -67.11 -34.7 78.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.639 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.04 -37.95 72.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.512 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.8 t -59.94 -50.34 74.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.66 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -73.74 -21.98 60.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.575 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.7 tp -76.84 -48.61 17.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.658 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.66 -60.79 2.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.779 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.2 mtp-105 -44.67 -38.45 4.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.769 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -161.57 90.8 1.47 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.653 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -79.21 150.65 22.9 Favored 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 122.305 2.004 . . . . 0.0 111.893 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -51.65 127.83 24.09 Favored 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 122.166 1.911 . . . . 0.0 111.926 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.11 -35.26 61.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.546 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -59.36 -25.84 64.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.716 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.2 p -161.99 137.28 7.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.805 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.567 ' HG ' ' N ' ' A' ' 23' ' ' ALA . 3.3 t -88.46 149.97 23.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.336 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.567 ' N ' ' HG ' ' A' ' 22' ' ' SER . . . -163.8 159.16 20.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.74 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.9 154.14 11.2 Favored Glycine 0 CA--C 1.528 0.871 0 N-CA-C 110.811 -0.915 . . . . 0.0 110.811 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -73.23 148.03 43.27 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 122.61 2.207 . . . . 0.0 112.09 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.7 t -85.55 131.6 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.486 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 52.42 -167.52 0.93 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -78.44 -1.59 34.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 110.589 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -71.16 101.49 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.544 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.525 ' O ' ' CG ' ' A' ' 31' ' ' PHE . 1.9 mmt -84.49 81.19 8.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.409 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.525 ' CG ' ' O ' ' A' ' 30' ' ' MET . 38.7 m-85 -163.85 -39.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.703 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -101.65 120.77 40.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.881 0.372 . . . . 0.0 110.841 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -117.51 155.66 29.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.759 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -146.07 170.87 15.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.771 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -159.8 175.73 12.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.436 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.2 t -146.04 154.46 41.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.621 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.9 mt -142.09 136.92 30.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.539 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.494 ' SD ' ' O ' ' B' ' 71' ' ' LEU . 10.5 ttp -107.96 148.74 29.27 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.639 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.543 ' C ' ' H ' ' A' ' 41' ' ' ASN . . . -47.37 109.16 0.38 Allowed Glycine 0 CA--C 1.531 1.079 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.512 ' CB ' ' SG ' ' A' ' 111' ' ' CYS . 77.0 Cg_exo -47.24 -6.9 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.309 2.006 . . . . 0.0 112.308 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.543 ' H ' ' C ' ' A' ' 39' ' ' GLY . 2.7 m-20 74.34 48.45 0.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.554 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 2.3 m-20 -155.06 -47.21 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.352 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.89 162.78 48.73 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.215 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.513 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 37.5 Cg_endo -67.54 76.57 0.53 Allowed 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.562 2.175 . . . . 0.0 112.016 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.513 ' CD2' ' O ' ' A' ' 44' ' ' PRO . 3.3 m-85 -175.54 15.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -52.66 133.02 36.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.654 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.89 -0.56 88.27 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -90.85 111.43 3.95 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.6 m -86.22 131.28 34.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.743 0.306 . . . . 0.0 110.367 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -113.24 146.44 39.32 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.746 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.479 ' H ' ' HG1' ' A' ' 71' ' ' THR . 42.2 m-85 -131.66 135.13 46.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.186 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.3 pp -138.28 130.66 28.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.548 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.0 m -95.04 163.34 13.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.417 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.45 ' CG2' ' N ' ' A' ' 55' ' ' HIS . 63.0 mt -128.61 162.64 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.237 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.45 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 93.9 m-70 -145.39 106.19 4.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.578 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -80.74 140.22 50.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.224 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -73.95 157.69 46.88 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.421 2.081 . . . . 0.0 112.029 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.5 p -79.76 0.05 32.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.336 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.479 ' C ' ' CG ' ' A' ' 60' ' ' TYR . 1.2 m-20 -109.34 23.11 14.94 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.523 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 62' ' ' PHE . 4.6 m-85 74.33 149.86 0.13 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.581 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.475 ' O ' ' N ' ' A' ' 63' ' ' LYS . 96.0 Cg_exo -37.71 -23.05 0.05 OUTLIER 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 122.59 2.193 . . . . 0.0 112.306 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 60' ' ' TYR . 16.3 m-85 -45.19 -17.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.236 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 61' ' ' PRO . 12.8 mttt -107.16 139.29 20.31 Favored Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.263 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -52.57 117.86 4.1 Favored 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 122.023 1.816 . . . . 0.0 111.773 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -79.01 146.53 20.4 Favored 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 122.222 1.948 . . . . 0.0 111.999 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -88.19 139.02 30.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.798 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.5 t -137.13 143.44 34.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.013 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -140.79 170.88 14.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.995 0.426 . . . . 0.0 110.897 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.4 ' H ' ' HA3' ' A' ' 82' ' ' GLY . 0.1 OUTLIER -120.81 104.21 9.69 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.21 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -66.03 -26.71 67.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.707 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.479 ' HG1' ' H ' ' A' ' 51' ' ' PHE . 4.1 m -87.02 143.36 27.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.675 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.2 mmt-85 -83.77 94.17 8.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.337 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.429 ' CG2' ' O ' ' A' ' 73' ' ' ILE . 3.3 tt -104.39 122.45 57.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.233 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -89.61 52.64 2.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.739 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -97.46 135.17 21.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.966 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -69.08 66.58 1.37 Allowed 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.104 1.869 . . . . 0.0 111.972 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.512 ' OD1' ' SG ' ' A' ' 85' ' ' CYS . 3.9 t-20 -173.86 -6.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.406 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 42.4 mt -132.64 128.37 57.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.369 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.684 ' ND2' ' H ' ' A' ' 80' ' ' SER . 0.4 OUTLIER -73.5 -159.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.707 -179.777 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.684 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 15.5 p -84.41 -37.1 21.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.744 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.476 ' ND2' ' OG ' ' A' ' 83' ' ' SER . 27.8 p-10 -72.94 1.46 8.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.5 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.4 ' HA3' ' H ' ' A' ' 69' ' ' PHE . . . 80.3 33.35 32.26 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.476 ' OG ' ' ND2' ' A' ' 81' ' ' ASN . 39.1 m -73.62 102.52 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 0.0 110.431 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.6 mt -91.9 127.76 43.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.592 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.512 ' SG ' ' OD1' ' A' ' 77' ' ' ASN . 31.2 p -81.56 113.01 19.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.36 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.5 mt -133.87 111.35 10.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.337 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -59.44 -24.09 63.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.758 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.408 HD13 HG23 ' A' ' 88' ' ' ILE . 3.4 mm -51.95 -47.61 41.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.44 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.44 ' N ' ' CD1' ' A' ' 89' ' ' LEU . 9.7 mp -53.15 -38.83 63.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.977 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 92' ' ' GLN . 61.6 mtp180 -65.64 -167.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.66 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.483 ' C ' ' H ' ' A' ' 93' ' ' TRP . 15.7 t -37.36 -26.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.218 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.526 ' N ' ' O ' ' A' ' 90' ' ' ARG . 27.1 mm-40 -77.32 28.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.649 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.483 ' H ' ' C ' ' A' ' 91' ' ' SER . 71.0 t-105 -105.38 102.95 12.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.564 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.549 ' C ' ' H ' ' A' ' 96' ' ' ALA . 1.0 OUTLIER -87.12 121.73 71.35 Favored Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.363 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -45.76 -9.52 0.04 OUTLIER 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 122.122 1.881 . . . . 0.0 112.167 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.549 ' H ' ' C ' ' A' ' 94' ' ' SER . . . -145.08 67.48 1.24 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.4 pp -104.01 150.54 24.15 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.426 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.54 ' O ' ' N ' ' A' ' 100' ' ' SER . 7.2 m -83.15 94.33 7.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.073 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 17.6 tt -38.63 -23.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.54 ' N ' ' O ' ' A' ' 98' ' ' THR . 97.2 p -53.07 -37.58 61.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.701 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -70.61 -36.38 73.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.858 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.1 t -57.61 -52.23 59.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.744 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 10.0 mp -51.93 -46.78 64.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.529 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.03 -39.06 84.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.342 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.2 m -53.53 -41.23 66.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.36 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 86.9 mt -71.06 -34.48 55.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.517 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 47.6 t -65.04 -45.14 86.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.1 p -70.68 -24.93 62.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.642 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 32.5 tp -57.93 -47.57 82.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.68 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.514 ' CD1' ' N ' ' A' ' 110' ' ' LEU . 7.3 mp -73.96 -36.34 64.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.712 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.512 ' SG ' ' CB ' ' A' ' 40' ' ' PRO . 1.8 m -79.46 5.08 13.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.609 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -170.82 68.23 0.5 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.692 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.89 163.69 28.35 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.685 2.257 . . . . 0.0 111.946 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -145.27 72.99 14.46 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.524 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_exo -48.75 113.08 0.75 Allowed 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.792 2.328 . . . . 0.0 112.08 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -140.92 -93.5 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.488 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.462 ' N ' ' CD ' ' A' ' 118' ' ' PRO . 91.3 m-20 -133.06 53.04 9.78 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.62 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' A' ' 117' ' ' ASP . 56.9 Cg_endo -71.62 -174.23 1.22 Allowed 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.704 2.269 . . . . 0.0 111.997 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 30.0 mt -80.35 22.36 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.341 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.414 ' H ' ' C ' ' A' ' 118' ' ' PRO . 5.6 m -150.78 66.21 7.32 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.483 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -64.01 -21.31 68.41 Favored 'Trans proline' 0 C--N 1.307 -1.605 0 C-N-CA 122.49 2.127 . . . . 0.0 112.14 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.04 -40.4 75.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.42 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 56.0 mt -76.43 -26.04 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.335 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.25 -53.05 59.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.458 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -56.89 -50.38 72.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.606 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.429 ' O ' ' O ' ' A' ' 130' ' ' ASP . 71.0 mt -54.26 -47.89 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.948 0.404 . . . . 0.0 110.2 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.657 ' HH ' ' NH2' ' A' ' 131' ' ' ARG . 59.2 t80 -70.96 -31.42 67.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.693 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.61 -68.21 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.34 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.32 -42.23 3.96 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.67 0.271 . . . . 0.0 111.284 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 126' ' ' ILE . 11.5 t0 -74.94 66.89 1.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.982 0.42 . . . . 0.0 110.557 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.657 ' NH2' ' HH ' ' A' ' 127' ' ' TYR . 13.0 mmt180 -72.46 -39.87 67.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.568 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -49.95 -49.06 51.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.018 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -66.0 -49.61 67.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.507 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -47.87 -39.8 19.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.548 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -65.37 -35.33 80.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.472 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -63.49 -50.13 70.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.552 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.538 ' N ' ' CD1' ' A' ' 137' ' ' ILE . 1.5 mp -69.1 -37.12 76.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.325 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' SER . . . . . 0.417 ' O ' ' OG1' ' A' ' 142' ' ' THR . 14.5 t -58.14 -44.0 87.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.818 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -78.95 -30.18 44.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.744 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.423 ' OE2' ' O ' ' A' ' 140' ' ' GLU . 3.0 tm-20 -72.17 -37.95 69.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.457 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -78.16 -4.04 45.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.483 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 138' ' ' SER . 6.5 m -77.85 -60.55 2.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.849 0.356 . . . . 0.0 110.506 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.497 ' OE1' ' SD ' ' A' ' 147' ' ' MET . 6.3 mm100 -64.83 -31.15 72.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.237 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 62.6 tttt -48.56 -54.57 13.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.817 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -133.23 -33.37 1.13 Allowed 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.513 -0.475 . . . . 0.0 112.221 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -53.44 -55.78 22.31 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.801 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' MET . . . . . 0.497 ' SD ' ' OE1' ' A' ' 143' ' ' GLN . 4.1 mtt . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.549 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.51 ' N ' ' O ' ' B' ' 17' ' ' VAL . 7.5 ptt? . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.532 ' NE2' ' O ' ' B' ' 15' ' ' LEU . 37.7 tp60 -122.88 143.55 49.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.633 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.3 pt -149.95 145.88 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.3 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.57 ' CE2' ' CG2' ' B' ' 14' ' ' THR . 25.6 m-85 -98.2 142.8 29.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.41 ' O ' ' CG2' ' B' ' 5' ' ' VAL . 5.3 m -135.52 124.28 39.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.252 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -122.96 131.37 53.69 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.582 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.464 ' OG1' ' N ' ' B' ' 8' ' ' LEU . 0.0 OUTLIER -110.36 174.74 5.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.605 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.47 ' CD2' ' N ' ' B' ' 8' ' ' LEU . 3.8 mm? -61.09 -27.01 68.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.34 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' THR . . . . . 0.404 ' HG1' ' CG2' ' B' ' 7' ' ' THR . 19.9 p -67.93 -4.93 14.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.538 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.68 -8.4 62.44 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.21 130.81 45.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.776 0.322 . . . . 0.0 110.423 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.8 m -137.01 124.94 22.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.356 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 9.0 pt -150.44 147.2 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.613 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.57 ' CG2' ' CE2' ' B' ' 4' ' ' PHE . 19.2 p -84.4 121.68 27.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.573 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.532 ' O ' ' NE2' ' B' ' 2' ' ' GLN . 11.1 mp -96.4 164.18 12.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.519 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' B' ' 1' ' ' MET . 43.5 mm-40 -117.67 126.77 53.09 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.22 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.51 ' O ' ' N ' ' B' ' 1' ' ' MET . 10.7 p -155.5 154.85 6.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.856 0.36 . . . . 0.0 110.776 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -87.53 150.36 48.55 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.233 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.97 -15.32 43.3 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 122.57 2.18 . . . . 0.0 112.357 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.1 m -96.07 -16.95 21.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.751 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -57.3 169.99 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.342 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -119.12 149.42 41.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.446 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.414 HG21 HD13 ' B' ' 23' ' ' ILE . 13.2 mm -50.84 -19.61 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.932 0.396 . . . . 0.0 110.417 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -72.52 -30.06 64.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.605 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -85.07 -49.53 8.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.0 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 p -52.8 -35.29 21.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.845 0.355 . . . . 0.0 110.234 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -62.3 -28.85 70.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.988 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.35 -31.13 54.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.822 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.405 ' NZ ' ' CB ' ' B' ' 29' ' ' LYS . 6.6 mtpm? -80.0 -44.42 20.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.43 -179.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 13.4 tt -59.83 -41.71 86.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.053 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' B' ' 35' ' ' GLY . 19.0 pt20 -65.4 -42.25 92.78 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.476 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -66.28 -28.82 69.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.903 0.382 . . . . 0.0 110.379 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.03 -62.9 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.88 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -81.53 -33.48 31.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.039 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . 106.71 -11.14 41.97 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 29.8 mt -67.91 132.07 92.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -68.49 161.19 46.05 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.127 1.885 . . . . 0.0 112.054 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.06 -34.09 38.94 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.779 2.319 . . . . 0.0 112.299 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -54.99 -38.43 67.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.623 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -91.61 -12.38 34.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.594 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -81.24 136.01 35.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.899 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -145.19 151.31 38.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.192 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.7 mt -125.76 122.64 36.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.866 0.365 . . . . 0.0 110.805 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 45.8 mm -123.69 154.84 30.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.136 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' B' ' 48' ' ' LYS . 25.7 t80 -159.46 114.33 2.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.539 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 45.52 31.14 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.578 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.87 27.93 44.11 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' B' ' 45' ' ' PHE . 69.7 mmtt -125.0 116.97 22.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.801 0.334 . . . . 0.0 110.451 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -81.01 131.74 35.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.563 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.422 ' CD1' ' N ' ' B' ' 50' ' ' LEU . 10.1 mp -82.07 134.11 35.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.611 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -83.81 153.63 23.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.42 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -65.67 -37.7 87.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -97.45 67.24 0.83 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -148.01 146.89 29.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.722 0.296 . . . . 0.0 110.28 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 28.5 p -98.86 149.06 23.3 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.487 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.491 ' CD2' ' N ' ' B' ' 56' ' ' LEU . 3.8 mm? -52.41 -45.45 65.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.599 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 12.8 t -58.48 -28.94 65.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.729 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -63.2 -45.09 93.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.742 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -83.34 -4.54 58.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.547 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . 0.41 ' O ' ' NE2' ' B' ' 62' ' ' GLN . 20.5 m120 44.09 55.17 5.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.504 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 36.3 mt -83.34 -6.35 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.628 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.527 ' OE1' ' N ' ' B' ' 62' ' ' GLN . 1.1 mp0 55.71 -170.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.527 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -99.74 166.17 11.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.712 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 53.99 48.27 21.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.786 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 13.3 p -105.1 168.11 9.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.547 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 85.0 m -121.41 109.0 14.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.545 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 17.9 mt -91.37 140.76 29.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.447 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -92.35 107.32 19.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.764 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -89.25 136.2 33.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.272 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 58.4 t -128.6 143.01 42.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.461 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.494 ' O ' ' SD ' ' A' ' 38' ' ' MET . 15.0 mt -97.7 121.58 39.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.736 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 -91.28 85.84 5.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.166 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 5.5 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.592 -179.791 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.8 mt -50.0 -19.95 0.83 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.373 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -75.86 -49.07 18.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.529 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -75.04 -35.86 61.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.613 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.4 mt -70.11 -49.02 58.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -52.88 -19.95 2.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.867 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.7 ttpp -67.27 -44.85 78.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.621 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.14 -34.2 65.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.478 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 tp -50.16 -40.46 46.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.494 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.3 t -59.94 -33.87 72.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.601 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -60.33 -32.77 71.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.68 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.6 mt -85.76 -12.99 49.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.662 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.83 -56.91 4.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.736 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.423 ' HG3' ' H ' ' A' ' 16' ' ' ASP . 0.8 OUTLIER -45.65 -48.65 14.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.643 -179.861 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.423 ' H ' ' HG3' ' A' ' 15' ' ' ARG . 13.7 t0 -176.39 100.51 0.24 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.358 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -80.95 150.65 18.26 Favored 'Trans proline' 0 C--N 1.312 -1.361 0 C-N-CA 122.32 2.014 . . . . 0.0 111.922 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -51.61 127.89 24.23 Favored 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 122.161 1.908 . . . . 0.0 112.108 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.22 -36.25 61.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.782 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -87.9 -3.94 58.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.7 m -151.03 62.58 0.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.787 0.327 . . . . 0.0 110.804 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.6 p -67.52 150.32 49.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.527 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -157.46 155.92 31.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.487 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -157.1 161.61 31.25 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.86 148.14 35.57 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.85 2.367 . . . . 0.0 112.208 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.5 p -116.37 128.27 73.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.313 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.75 150.47 6.98 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -52.42 -29.79 26.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.791 0.329 . . . . 0.0 110.433 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.426 ' O ' ' OD1' ' A' ' 29' ' ' ASP . 10.5 p30 -79.74 141.63 36.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.525 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.448 ' C ' ' H ' ' A' ' 32' ' ' HIS . 0.8 OUTLIER -90.65 -9.12 48.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.545 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -62.79 -3.68 1.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.387 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.448 ' H ' ' C ' ' A' ' 30' ' ' MET . 1.1 t-80 -136.29 120.95 18.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.384 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 14.8 m95 -115.11 177.24 4.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.35 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.601 HE21 ' H ' ' A' ' 35' ' ' ALA . 1.5 mm100 -145.85 169.19 19.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.362 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.601 ' H ' HE21 ' A' ' 34' ' ' GLN . . . -167.04 145.97 5.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.347 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.6 m -135.38 148.43 49.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.01 0.433 . . . . 0.0 110.721 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.8 pt -150.85 174.02 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.473 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.508 ' SD ' ' O ' ' B' ' 71' ' ' LEU . 6.2 ttt -129.91 156.44 44.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.315 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 40' ' ' PRO . . . -84.63 114.58 3.95 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 39' ' ' GLY . 73.7 Cg_exo -46.15 179.24 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.241 1.96 . . . . 0.0 112.11 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -71.12 -31.46 67.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.622 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -66.09 -23.12 66.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.571 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.542 ' O ' ' N ' ' A' ' 45' ' ' TYR . 5.9 p -96.71 110.83 55.2 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.406 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.532 ' C ' ' H ' ' A' ' 46' ' ' GLN . 71.5 Cg_exo -45.59 -9.78 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 122.264 1.976 . . . . 0.0 112.322 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.542 ' N ' ' O ' ' A' ' 43' ' ' SER . 48.7 m-85 -68.5 10.7 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.564 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.532 ' H ' ' C ' ' A' ' 44' ' ' PRO . 43.4 mt-30 -45.88 121.58 3.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.463 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.32 -28.28 16.73 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.31 165.36 53.9 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.5 m -141.64 133.13 27.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.833 0.349 . . . . 0.0 110.603 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -101.55 161.31 13.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.572 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 70' ' ' THR . 31.2 m-85 -140.04 132.06 27.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.292 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.44 136.3 37.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.441 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 m -108.03 139.94 41.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.543 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.9 mp -105.13 153.94 6.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.42 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -143.32 116.57 9.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.498 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.452 ' N ' ' CD1' ' A' ' 56' ' ' PHE . 25.2 m-85 -89.18 147.53 38.66 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.367 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.25 154.44 41.32 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 C-N-CA 122.461 2.107 . . . . 0.0 111.91 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.7 p -71.04 -9.33 57.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.268 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.471 ' C ' ' CG ' ' A' ' 60' ' ' TYR . 54.4 t0 -97.44 22.51 8.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.571 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.529 ' O ' ' N ' ' A' ' 62' ' ' PHE . 3.2 m-85 72.05 149.76 0.13 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.575 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' A' ' 63' ' ' LYS . 95.9 Cg_exo -37.25 -24.26 0.05 OUTLIER 'Trans proline' 0 C--N 1.312 -1.384 0 C-N-CA 122.694 2.263 . . . . 0.0 112.311 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.529 ' N ' ' O ' ' A' ' 60' ' ' TYR . 22.5 m-85 -45.78 -15.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.415 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 61' ' ' PRO . 6.8 mptt -113.11 147.27 36.93 Favored Pre-proline 0 CA--C 1.534 0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.231 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -55.54 118.43 5.19 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 C-N-CA 122.196 1.931 . . . . 0.0 111.863 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -79.39 159.29 25.96 Favored 'Trans proline' 0 C--N 1.312 -1.378 0 C-N-CA 122.342 2.028 . . . . 0.0 112.113 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.9 mmtm -96.73 137.01 36.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.484 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 p -137.18 147.96 26.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.463 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -158.6 145.99 17.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.579 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -83.52 114.06 21.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.261 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 51' ' ' PHE . 7.6 m -62.53 -46.04 90.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.399 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.435 ' HG1' ' N ' ' A' ' 51' ' ' PHE . 15.7 m -87.39 133.64 33.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.4 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -65.77 148.27 52.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.487 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.4 tt -153.86 137.92 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.389 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -94.79 31.82 1.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.44 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.492 ' O ' ' O ' ' A' ' 76' ' ' PRO . 71.0 t60 -94.64 133.08 27.34 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.374 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.538 ' C ' ' H ' ' A' ' 78' ' ' ILE . 73.0 Cg_exo -43.79 178.23 0.0 OUTLIER 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 122.314 2.01 . . . . 0.0 112.098 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.52 ' N ' ' OD1' ' A' ' 77' ' ' ASN . 1.0 OUTLIER 62.11 -3.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.72 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.538 ' H ' ' C ' ' A' ' 76' ' ' PRO . 47.6 mt -138.43 122.13 20.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.351 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.445 ' N ' ' OD1' ' A' ' 79' ' ' ASN . 1.4 m120 -98.11 -158.24 0.66 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.494 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.5 t -77.21 -18.48 57.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.513 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -81.98 -13.14 57.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.536 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.96 12.37 79.76 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.5 m -59.73 111.83 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.788 0.328 . . . . 0.0 110.503 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.3 mt -92.05 119.49 39.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.548 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 10.4 t -82.18 112.88 19.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.516 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.508 ' CD2' ' HG ' ' A' ' 105' ' ' SER . 13.0 mt -146.95 137.6 23.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.25 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -69.15 -52.02 32.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.969 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.568 ' H ' ' CD1' ' A' ' 88' ' ' ILE . 0.7 OUTLIER -51.5 -37.33 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.538 -179.624 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.47 -35.56 77.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.188 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 92' ' ' GLN . 15.1 mtp-105 -74.75 -165.19 0.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.801 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.572 ' C ' ' H ' ' A' ' 93' ' ' TRP . 15.4 p -37.31 -30.39 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.379 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 90' ' ' ARG . 18.2 mm100 -71.93 29.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.635 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.572 ' H ' ' C ' ' A' ' 91' ' ' SER . 62.5 t-105 -98.69 102.93 14.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.421 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.4 m -90.11 141.18 27.64 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.569 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -74.07 0.46 8.37 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 122.464 2.109 . . . . 0.0 112.19 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -120.06 17.21 12.48 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.013 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.467 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 3.7 pp -86.75 152.08 22.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.43 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.551 ' C ' ' H ' ' A' ' 100' ' ' SER . 38.7 p -94.38 125.83 39.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.357 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.3 tt -55.39 -3.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.653 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.551 ' H ' ' C ' ' A' ' 98' ' ' THR . 8.6 t -71.36 -61.05 1.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.651 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -35.71 61.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.468 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 94.0 t -57.33 -39.98 71.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.532 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.5 mt -68.0 -43.56 78.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.721 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.96 -29.5 68.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.291 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.508 ' HG ' ' CD2' ' A' ' 86' ' ' LEU . 6.9 t -67.28 -28.6 68.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.461 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.8 mm -71.09 -56.1 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.43 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 16.6 t -51.37 -56.07 15.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.733 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.1 t -51.54 -44.47 62.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.655 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.5 tp -49.79 -51.87 36.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.645 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.6 mt -49.59 -50.67 41.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.654 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 15.7 p -82.85 5.08 22.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.762 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 113' ' ' PRO . 66.0 m-20 -143.45 74.21 17.21 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.608 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.454 ' O ' ' O ' ' A' ' 112' ' ' ASP . 44.2 Cg_exo -53.67 -156.73 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.618 0 C-N-CA 122.871 2.38 . . . . 0.0 112.021 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.715 HD21 ' H ' ' A' ' 117' ' ' ASP . 4.7 t30 -166.38 72.16 1.17 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.682 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.92 -30.06 37.75 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.842 2.361 . . . . 0.0 112.23 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' A' ' 117' ' ' ASP . 83.9 m-20 -65.81 -42.3 90.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.705 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.715 ' H ' HD21 ' A' ' 114' ' ' ASN . 84.0 m-20 -141.64 74.81 22.71 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.4 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.529 ' C ' ' H ' ' A' ' 120' ' ' VAL . 74.2 Cg_endo -79.56 -11.62 14.16 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.778 2.319 . . . . 0.0 112.06 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.1 tp 67.86 -9.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.763 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.529 ' H ' ' C ' ' A' ' 118' ' ' PRO . 5.9 p -142.17 67.98 21.88 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.218 0.532 . . . . 0.0 110.408 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -43.93 -24.77 0.89 Allowed 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.844 2.363 . . . . 0.0 112.488 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -62.45 -49.99 73.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.556 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.431 ' H ' HG22 ' A' ' 120' ' ' VAL . 90.5 mt -78.12 -32.51 17.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.749 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.05 -40.75 87.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.872 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 45.0 mtp85 -54.79 -32.48 60.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.62 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 130' ' ' ASP . 39.4 mt -77.11 -56.1 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.474 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.569 ' CE1' ' CD ' ' A' ' 131' ' ' ARG . 58.3 t80 -56.12 -31.85 63.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.527 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -53.42 -68.04 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.002 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 27.3 p -99.17 -42.19 7.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.055 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 126' ' ' ILE . 28.4 m-20 -85.36 77.85 9.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.381 . . . . 0.0 110.579 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.569 ' CD ' ' CE1' ' A' ' 127' ' ' TYR . 15.5 tpp85 -88.62 -39.44 14.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.396 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -63.87 -49.01 74.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.685 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -64.93 -43.8 91.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.603 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -48.25 -43.91 32.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.743 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 131' ' ' ARG . 3.9 m120 -53.07 -46.04 68.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.671 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 56.3 ttt-85 -56.95 -40.37 76.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.743 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.402 HG21 HD13 ' A' ' 137' ' ' ILE . 9.1 mm -63.88 -35.54 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.661 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' SER . . . . . 0.448 ' O ' ' OG1' ' A' ' 142' ' ' THR . 43.3 m -66.97 -58.93 3.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.674 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -54.84 -52.25 63.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.772 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -51.03 -45.39 61.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.703 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -75.9 -28.25 57.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.584 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 138' ' ' SER . 34.3 m -64.41 -19.16 65.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.766 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.426 ' O ' ' O ' ' A' ' 147' ' ' MET . 37.8 tt0 -76.22 -44.35 38.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.236 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -101.45 -53.37 3.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.756 0.312 . . . . 0.0 111.704 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -74.92 19.35 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -164.05 -2.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.423 -0.511 . . . . 0.0 111.194 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' MET . . . . . 0.426 ' O ' ' O ' ' A' ' 143' ' ' GLN . 46.8 mtt . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.42 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 17.1 ttp . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -114.73 154.9 27.66 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.976 0.417 . . . . 0.0 110.616 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pp -131.18 163.72 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.374 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.414 ' O ' ' O ' ' B' ' 65' ' ' SER . 6.7 m-85 -96.58 142.76 28.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.967 0.413 . . . . 0.0 110.722 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' B' ' 5' ' ' VAL . 3.8 m -136.95 115.54 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.808 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -95.19 134.38 37.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.956 0.408 . . . . 0.0 111.034 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 15.6 m -89.02 157.07 18.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.582 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 tp -57.3 -18.56 17.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.387 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' THR . . . . . 0.426 ' H ' ' HG1' ' B' ' 9' ' ' THR . 18.0 p -91.24 -20.06 22.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.446 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.09 13.46 17.71 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.22 98.45 8.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.74 0.305 . . . . 0.0 110.359 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 11.0 m -95.12 131.41 41.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.784 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 8.4 pt -151.06 147.06 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.413 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 68.1 p -87.32 140.33 29.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.789 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.4 mp -120.29 165.05 15.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.814 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.525 ' O ' ' NZ ' ' B' ' 29' ' ' LYS . 41.7 mt-10 -119.76 117.07 27.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.174 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 12.3 m -137.17 -170.96 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.894 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' B' ' 21' ' ' ASP . 4.9 tt0 -136.06 130.08 18.29 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.002 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -44.37 -34.07 6.94 Favored 'Trans proline' 0 N--CA 1.492 1.412 0 C-N-CA 122.172 1.914 . . . . 0.0 112.252 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.9 m -81.38 -17.07 50.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.551 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' B' ' 18' ' ' GLU . 44.9 t0 -66.87 153.26 43.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.436 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.499 ' OG1' ' ND2' ' B' ' 25' ' ' ASN . 6.5 p -91.81 153.36 19.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.76 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.447 ' CD1' ' N ' ' B' ' 23' ' ' ILE . 2.5 mp -65.1 -9.35 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.356 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -73.09 -29.78 63.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.515 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.499 ' ND2' ' OG1' ' B' ' 22' ' ' THR . 56.5 m-80 -82.59 -47.87 11.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.465 -179.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.401 HG11 ' O ' ' B' ' 23' ' ' ILE . 7.1 p -52.84 -37.52 25.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.402 -179.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.47 ' NZ ' ' OD2' ' B' ' 52' ' ' ASP . 17.4 mttp -57.09 -42.46 80.75 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.71 -29.58 68.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.631 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.525 ' NZ ' ' O ' ' B' ' 16' ' ' GLU . 64.9 mttt -67.85 -44.44 77.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.499 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 83.0 mt -60.16 -31.92 49.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.37 . . . . 0.0 110.138 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.511 ' O ' ' N ' ' B' ' 35' ' ' GLY . 66.6 tt0 -64.34 -54.11 38.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.782 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -62.7 -28.92 70.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.973 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -84.21 -56.71 3.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.917 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.436 ' OE1' ' O ' ' B' ' 34' ' ' GLU . 0.0 OUTLIER -76.94 -37.26 55.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.852 -179.375 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . 100.52 -4.48 56.7 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.1 mt -92.77 132.72 30.6 Favored Pre-proline 0 C--N 1.329 -0.284 0 N-CA-C 110.248 -0.278 . . . . 0.0 110.248 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -68.58 150.14 74.69 Favored 'Trans proline' 0 N--CA 1.494 1.55 0 C-N-CA 121.952 1.768 . . . . 0.0 112.07 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.472 ' C ' ' H ' ' B' ' 40' ' ' GLN . 68.2 Cg_endo -73.12 -27.03 14.3 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 122.82 2.346 . . . . 0.0 112.508 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.437 ' O ' ' OE1' ' B' ' 40' ' ' GLN . 9.0 t70 -54.81 -7.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.747 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.472 ' H ' ' C ' ' B' ' 38' ' ' PRO . 4.1 mp0 -130.12 -1.88 4.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.509 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -126.77 142.5 51.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.9 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.616 ' NH2' ' NE2' ' B' ' 49' ' ' GLN . 9.6 ptm180 -144.3 158.57 43.67 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.473 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.512 ' CD2' ' N ' ' B' ' 43' ' ' LEU . 3.3 mm? -93.76 143.09 26.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.038 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 22.0 mt -144.15 136.4 22.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.189 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.419 ' O ' ' N ' ' B' ' 48' ' ' LYS . 16.9 t80 -136.78 146.46 45.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.523 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.31 29.14 1.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.687 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.44 28.08 66.46 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.484 ' HZ2' ' CB ' ' B' ' 48' ' ' LYS . 9.2 mtmp? -135.24 142.96 46.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.811 0.338 . . . . 0.0 110.607 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.616 ' NE2' ' NH2' ' B' ' 42' ' ' ARG . 17.6 mt-30 -82.0 135.42 35.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.637 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.463 ' CD1' ' N ' ' B' ' 50' ' ' LEU . 9.8 mp -90.14 140.75 29.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.43 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.412 ' H ' ' HH ' ' B' ' 59' ' ' TYR . 42.6 mm-40 -78.34 143.49 36.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.491 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.2 OUTLIER -71.64 -27.47 63.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.789 -179.854 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.26 -15.65 73.71 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.608 -0.597 . . . . 0.0 111.608 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 6.4 mmt-85 -76.9 177.03 8.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.502 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 42.4 p -131.8 146.95 52.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.174 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.543 ' O ' ' N ' ' B' ' 60' ' ' ASN . 6.7 mp -49.74 -23.11 1.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.113 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 12.0 t -57.52 -36.98 72.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.217 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -74.56 -45.01 48.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.274 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' B' ' 61' ' ' ILE . 56.6 m-85 -82.84 -1.51 52.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.302 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' B' ' 56' ' ' LEU . 0.5 OUTLIER 61.28 -79.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.908 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' B' ' 59' ' ' TYR . 1.3 mt 50.57 98.8 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.5 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -70.73 -177.21 1.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.487 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -73.31 158.44 35.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.45 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 54.98 36.77 27.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.544 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.414 ' O ' ' O ' ' B' ' 4' ' ' PHE . 89.9 p -87.64 148.96 24.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.567 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 11.6 m -107.97 111.11 23.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.501 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 83.6 mt -90.91 151.76 20.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.442 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -97.45 103.13 15.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.491 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 14.7 mt -89.16 141.48 28.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.442 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 22.2 m -133.36 150.31 32.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.283 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.508 ' O ' ' SD ' ' A' ' 38' ' ' MET . 12.7 mt -111.89 139.06 47.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.644 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 34.1 mtm105 -112.94 85.89 2.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.232 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 7.0 mp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.677 -179.753 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.594 ' N ' ' CE2' ' A' ' 60' ' ' TYR . . . . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tt -49.91 -34.12 19.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.515 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -74.81 -53.19 9.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.6 mtt85 -61.43 -50.37 73.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.791 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.3 mt -52.99 -39.0 30.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.732 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 7' ' ' ASN . 36.3 t-20 -63.27 -23.78 67.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.973 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.574 ' CB ' ' NZ ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -67.51 -35.61 79.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.622 -179.837 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -70.82 -23.97 62.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.52 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.03 -34.12 71.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.407 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.7 t -59.98 -35.45 75.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.709 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 40.4 t0 -83.05 -22.05 33.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.624 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 tp -83.57 -52.57 6.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.66 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.98 -41.13 70.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.816 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.0 ttt85 -79.33 -46.71 17.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.804 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -121.3 79.12 35.79 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.647 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -79.16 161.15 26.37 Favored 'Trans proline' 0 C--N 1.309 -1.526 0 C-N-CA 122.613 2.209 . . . . 0.0 112.084 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.38 135.04 38.1 Favored 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 122.689 2.26 . . . . 0.0 112.165 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.1 -52.05 11.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.798 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.475 ' CG ' ' H ' ' A' ' 21' ' ' CYS . 4.6 pt20 -85.98 -54.49 4.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.674 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.475 ' H ' ' CG ' ' A' ' 20' ' ' GLN . 22.6 m -71.62 165.9 22.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.432 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.492 ' OG ' ' ND1' ' B' ' 68' ' ' HIS . 6.5 t -140.25 127.2 20.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.655 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -142.24 153.96 44.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.399 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -165.15 110.05 0.39 Allowed Glycine 0 CA--C 1.531 1.061 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -49.87 146.26 16.75 Favored 'Trans proline' 0 N--CA 1.493 1.468 0 C-N-CA 122.129 1.886 . . . . 0.0 111.944 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.426 ' O ' ' O ' ' A' ' 27' ' ' GLY . 44.5 t -100.92 151.95 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.509 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 26' ' ' VAL . . . -55.7 -161.47 0.02 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 29' ' ' ASP . 72.6 m-20 54.81 71.25 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 110.588 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 28' ' ' ASP . 3.2 m-20 59.76 143.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.609 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.1 mtp -79.24 67.98 5.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.623 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -125.4 -27.15 3.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.205 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -104.36 120.72 41.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.235 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -116.97 156.6 27.17 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.4 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.421 ' NE2' ' OG1' ' A' ' 53' ' ' THR . 26.9 tp60 -124.57 156.26 37.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.389 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -155.56 158.94 39.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.892 0.377 . . . . 0.0 110.779 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.6 m -146.2 155.09 42.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.561 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.401 HG21 HD13 ' A' ' 37' ' ' ILE . 1.3 pt -145.01 155.09 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.31 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.2 ttt -122.16 126.7 48.89 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.752 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.37 104.31 0.04 OUTLIER Glycine 0 CA--C 1.531 1.046 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -47.81 169.37 0.07 OUTLIER 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.217 1.945 . . . . 0.0 112.095 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.442 ' H ' HD21 ' A' ' 41' ' ' ASN . 1.7 p30 -80.74 -173.27 4.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.64 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.2 t70 50.47 33.62 8.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.648 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 p -157.12 151.44 20.14 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -69.52 -11.84 32.03 Favored 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 122.429 2.086 . . . . 0.0 111.897 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -73.98 -19.75 60.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.571 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -65.17 116.89 7.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.528 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 138.62 10.95 0.88 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -151.94 166.8 31.01 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.9 m -127.88 125.87 65.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.882 0.372 . . . . 0.0 110.484 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -95.37 179.92 5.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.386 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -140.11 129.23 23.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.552 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.2 tt -130.36 158.76 38.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.225 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.421 ' OG1' ' NE2' ' A' ' 34' ' ' GLN . 5.8 m -145.72 132.21 19.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.899 0.38 . . . . 0.0 110.82 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -98.57 133.09 42.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.135 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -113.56 115.48 28.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.86 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -85.64 126.87 65.1 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.178 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.525 ' C ' ' H ' ' A' ' 59' ' ' ASP . 87.4 Cg_endo -80.97 140.31 12.55 Favored 'Trans proline' 0 C--N 1.312 -1.372 0 C-N-CA 122.353 2.035 . . . . 0.0 112.097 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 43.6 p -52.29 -9.89 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.024 0.44 . . . . 0.0 109.892 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.525 ' H ' ' C ' ' A' ' 57' ' ' PRO . 5.2 t0 -83.99 23.72 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.48 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.594 ' CE2' ' N ' ' A' ' 2' ' ' ALA . 54.9 m-85 67.35 154.36 0.13 Allowed Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.984 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.573 ' O ' ' N ' ' A' ' 63' ' ' LYS . 32.5 Cg_exo -54.88 -44.28 51.23 Favored 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 122.865 2.377 . . . . 0.0 113.709 -179.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -44.83 -11.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.343 -178.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.573 ' N ' ' O ' ' A' ' 61' ' ' PRO . 18.3 mmtt -98.92 142.57 24.83 Favored Pre-proline 0 CA--C 1.533 0.294 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -52.6 116.91 3.18 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.116 1.878 . . . . 0.0 111.868 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -80.36 172.15 13.99 Favored 'Trans proline' 0 C--N 1.312 -1.35 0 C-N-CA 122.43 2.087 . . . . 0.0 112.187 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -106.76 96.34 6.37 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.576 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.1 p -93.13 148.06 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.368 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -155.24 150.93 27.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.883 0.373 . . . . 0.0 110.8 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.73 120.24 26.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.221 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.7 m -77.01 -28.41 54.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.67 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.8 m -106.44 114.49 28.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.671 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -49.99 145.48 5.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.253 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.5 tt -153.3 138.77 11.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.71 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -84.93 92.9 8.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.11 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -146.19 142.16 17.31 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.164 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -69.93 -27.38 25.73 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.281 1.987 . . . . 0.0 111.894 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -82.41 -27.0 32.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.316 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 23.0 mm -105.56 131.4 55.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.262 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -92.14 172.54 8.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.798 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.2 m -85.43 -23.59 27.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.384 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -76.11 -15.42 60.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.575 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.1 10.39 34.49 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.1 p -86.47 127.85 34.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.71 0.291 . . . . 0.0 110.426 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.0 mp -125.63 145.78 32.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.642 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 21.8 t -97.73 112.97 24.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.27 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.3 mp -133.86 128.43 34.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.688 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -69.14 -47.99 63.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.415 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.4 pp -55.62 -13.24 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.692 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.8 -12.32 22.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.756 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.433 ' CG ' ' N ' ' A' ' 91' ' ' SER . 6.8 ttp180 -80.63 -110.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.696 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.518 ' C ' ' H ' ' A' ' 93' ' ' TRP . 15.0 p -93.12 -20.23 20.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.657 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -75.64 25.94 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.558 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.518 ' H ' ' C ' ' A' ' 91' ' ' SER . 75.2 t-105 -82.23 102.94 11.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.407 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.533 ' C ' ' H ' ' A' ' 96' ' ' ALA . 1.4 m -82.11 119.58 75.36 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.475 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -46.6 -7.14 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.433 2.088 . . . . 0.0 112.708 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.533 ' H ' ' C ' ' A' ' 94' ' ' SER . . . -144.1 63.67 1.33 Allowed 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.351 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.418 ' H ' ' HG ' ' A' ' 97' ' ' LEU . 2.7 pp -104.22 152.06 22.63 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.326 179.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.6 m -76.52 135.96 39.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.525 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.402 ' CG2' ' N ' ' A' ' 100' ' ' SER . 5.3 tp -51.21 -39.5 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.583 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.402 ' N ' ' CG2' ' A' ' 99' ' ' ILE . 8.2 t -69.78 -12.94 62.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.877 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -62.25 -45.5 93.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.686 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.1 p -73.01 -33.94 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.665 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 42.8 mt -63.92 -39.22 93.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.814 0.34 . . . . 0.0 110.431 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.2 mt -68.18 -40.92 82.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.61 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 59.6 m -51.38 -39.51 57.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.635 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.4 mt -67.21 -43.64 88.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.662 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 46.2 t -50.96 -53.43 33.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.638 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 52.9 p -53.07 -24.87 10.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.695 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.38 -52.11 14.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.513 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.41 ' N ' ' CD1' ' A' ' 110' ' ' LEU . 10.7 mp -58.38 -40.26 81.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.622 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 12.2 t -74.16 -48.29 30.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.609 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 113' ' ' PRO . 12.5 t70 -113.23 96.43 39.17 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.572 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 112' ' ' ASP . 70.4 Cg_exo -48.76 -174.97 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.427 2.084 . . . . 0.0 112.068 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -156.73 84.74 3.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.699 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -78.67 2.04 8.53 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.476 2.117 . . . . 0.0 112.02 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -81.47 106.04 13.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.377 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.404 ' N ' ' HD3' ' A' ' 118' ' ' PRO . 42.3 t0 43.41 65.74 5.28 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.636 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.404 ' HD3' ' N ' ' A' ' 117' ' ' ASP . 34.1 Cg_exo -58.01 -146.2 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.711 2.274 . . . . 0.0 112.073 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.2 tp -132.91 -25.64 1.82 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.25 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.2 t -122.43 80.12 46.13 Favored Pre-proline 0 C--N 1.332 -0.192 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.319 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -46.48 -32.29 11.07 Favored 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.734 2.29 . . . . 0.0 112.432 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -61.98 -47.62 84.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.012 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 70.8 mt -77.05 -35.02 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.065 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.15 -40.39 86.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.338 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -54.75 -31.95 59.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.74 0.305 . . . . 0.0 110.848 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.527 ' O ' ' N ' ' A' ' 130' ' ' ASP . 43.5 mt -70.82 -51.31 37.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.872 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 127' ' ' TYR . 25.9 t80 -71.22 -31.87 68.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.152 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -64.58 -30.82 71.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.544 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.423 ' OG1' ' OD1' ' A' ' 130' ' ' ASP . 35.3 p -117.99 -42.31 2.83 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.701 0.286 . . . . 0.0 111.244 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 126' ' ' ILE . 0.9 OUTLIER -106.34 109.22 21.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.807 -179.641 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 33.8 mmm-85 -93.76 -44.57 8.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.637 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -60.87 -49.01 79.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.653 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 32.9 tttm -61.48 -28.94 69.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.577 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -75.97 -27.92 57.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.586 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -63.26 -46.02 88.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.019 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.443 ' HG3' ' H ' ' A' ' 137' ' ' ILE . 11.0 ptp180 -64.64 -49.94 69.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.071 -179.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.443 ' H ' ' HG3' ' A' ' 136' ' ' ARG . 20.4 mt -61.16 -48.76 87.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.709 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' SER . . . . . 0.462 ' HG ' ' N ' ' A' ' 139' ' ' ARG . 92.5 p -45.92 -46.41 16.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.495 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . 0.462 ' N ' ' HG ' ' A' ' 138' ' ' SER . 32.8 ttm-85 -79.18 -33.24 44.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.704 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -62.56 -38.14 88.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.583 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -84.13 -13.57 52.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.62 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.576 ' O ' ' N ' ' A' ' 146' ' ' ALA . 92.9 m -69.91 -60.31 2.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.82 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -61.65 -31.52 71.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.862 0.363 . . . . 0.0 110.911 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -59.29 -37.3 77.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.028 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -125.98 -33.41 2.68 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.86 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . 0.576 ' N ' ' O ' ' A' ' 142' ' ' THR . . . -66.81 -71.04 0.21 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.727 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 14.6 mtt . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.565 179.933 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.571 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -153.12 145.8 24.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.278 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.531 ' CD1' ' N ' ' B' ' 3' ' ' ILE . 0.1 OUTLIER -148.45 148.11 16.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.483 179.709 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -93.78 120.57 34.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 10.5 m -102.19 126.25 56.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.754 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -112.64 118.59 35.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.661 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 47.6 m -94.67 161.89 14.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.375 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 tp -59.02 -16.66 19.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.473 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 65.1 p -83.28 1.74 39.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.588 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.12 -3.1 85.63 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -65.13 123.08 18.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.776 0.322 . . . . 0.0 110.518 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 60.8 m -130.02 121.07 25.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.561 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 7.5 pt -150.99 147.1 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.66 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.73 123.95 30.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.417 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.0 mp -98.35 138.05 36.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.301 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -91.37 113.69 26.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.182 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.546 ' O ' ' N ' ' B' ' 1' ' ' MET . 7.2 p -150.08 145.43 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.768 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -80.0 150.18 71.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.38 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.29 -15.55 46.14 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.629 2.219 . . . . 0.0 112.229 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.1 m -95.52 -14.99 23.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.623 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -56.99 165.01 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.449 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 3.1 m -116.53 140.77 49.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.682 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 30.7 mm -45.33 -39.06 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -48.94 -38.14 22.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.576 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -85.11 -45.67 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.779 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 11.9 t -53.0 -48.86 51.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.69 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.525 ' O ' ' NE2' ' B' ' 31' ' ' GLN . 22.4 mttt -50.88 -41.68 58.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.523 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.28 -27.82 66.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.194 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.547 ' HZ3' ' CB ' ' B' ' 29' ' ' LYS . 1.6 ttmp? -73.75 -54.35 8.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.305 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 14.6 tt -59.3 -32.0 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.796 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' B' ' 27' ' ' LYS . 32.9 mt-30 -59.92 -53.75 54.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.591 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.34 -29.93 61.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.678 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.2 tttp -53.93 -66.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.783 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -82.45 -34.8 27.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.755 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.48 52.29 0.72 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 62.0 mt -128.08 112.27 20.07 Favored Pre-proline 0 C--N 1.33 -0.247 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.34 156.04 6.18 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 122.032 1.821 . . . . 0.0 112.162 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -69.87 -7.88 22.2 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.838 2.359 . . . . 0.0 112.428 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -67.39 -16.78 64.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.861 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -130.23 -10.23 4.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.078 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -65.63 117.97 8.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 110.631 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -145.17 115.98 7.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.404 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.478 ' N ' ' CD1' ' B' ' 43' ' ' LEU . 9.4 mp -87.78 136.68 32.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.759 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 6.8 tp -136.01 141.5 41.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.652 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -147.88 112.33 5.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.461 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.9 31.94 21.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.508 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.93 -8.1 52.2 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -87.97 116.88 26.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.769 0.319 . . . . 0.0 110.503 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -72.65 127.5 32.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.417 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 11.1 mp -76.04 101.27 5.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.371 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -51.55 157.25 1.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.592 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -79.16 -25.4 42.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -103.16 49.23 0.97 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.526 -0.63 . . . . 0.0 111.526 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -143.12 169.38 17.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.835 0.35 . . . . 0.0 110.278 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.527 ' O ' ' CZ ' ' B' ' 59' ' ' TYR . 62.0 p -120.38 172.58 7.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.347 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.4 ' N ' ' CD1' ' B' ' 56' ' ' LEU . 10.0 mp -74.32 -18.76 60.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.379 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.9 p -73.94 -29.04 61.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.571 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.435 ' OD1' ' OG1' ' B' ' 55' ' ' THR . 1.1 m-20 -59.23 -45.11 92.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.625 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.527 ' CZ ' ' O ' ' B' ' 55' ' ' THR . 0.0 OUTLIER -90.81 4.22 52.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.276 179.783 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . 0.427 ' O ' ' O ' ' B' ' 61' ' ' ILE . 5.1 t30 75.09 -71.64 0.12 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.676 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.427 ' O ' ' O ' ' B' ' 60' ' ' ASN . 27.0 mm 57.04 157.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.537 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -127.15 175.35 8.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.463 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -68.37 148.56 50.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.576 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 54.9 24.38 5.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.507 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 11.7 p -60.69 136.99 58.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.672 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 17.2 m -89.42 108.94 19.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.664 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.406 ' N ' ' CD1' ' B' ' 67' ' ' LEU . 10.9 mp -98.79 144.04 28.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.3 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.492 ' ND1' ' OG ' ' A' ' 22' ' ' SER . 21.8 m170 -99.35 141.01 32.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.308 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.44 142.04 51.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.385 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 34.6 m -142.34 124.53 13.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.557 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.435 ' CD1' ' N ' ' B' ' 71' ' ' LEU . 10.2 mp -84.42 133.58 34.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.475 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -83.5 108.49 16.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.568 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 mp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.388 179.885 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.463 ' H ' ' CD1' ' A' ' 3' ' ' LEU . 5.9 mp -66.17 -28.1 68.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.442 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.0 mttm -61.25 -49.3 77.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.674 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -38.81 82.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.553 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.0 mt -67.5 -48.53 76.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.675 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -53.32 -24.17 11.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.648 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -69.14 -34.0 74.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.572 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -60.49 -29.01 68.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.574 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.74 -29.92 70.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.457 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.5 m -66.13 -27.01 67.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.666 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -73.08 -31.29 64.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.653 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.6 mt -75.11 -20.67 59.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.13 -17.38 46.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.695 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -84.21 -86.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.798 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -117.56 84.74 19.61 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.68 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -49.45 156.66 2.62 Favored 'Trans proline' 0 C--N 1.308 -1.562 0 C-N-CA 122.497 2.131 . . . . 0.0 111.917 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.15 140.2 37.05 Favored 'Trans proline' 0 C--N 1.309 -1.532 0 C-N-CA 122.599 2.199 . . . . 0.0 112.114 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.05 -52.07 11.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.637 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -99.14 -34.99 10.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.708 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.436 ' O ' ' OG ' ' A' ' 22' ' ' SER . 0.1 OUTLIER -76.2 175.32 9.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.484 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' A' ' 21' ' ' CYS . 3.6 m -168.17 95.23 0.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.367 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.36 160.84 25.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.72 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.52 158.75 14.96 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -73.44 131.96 16.98 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.582 2.188 . . . . 0.0 112.165 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.1 m -130.19 93.79 2.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.496 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 143.51 165.12 10.63 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -74.74 2.43 10.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 0.0 110.428 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -133.12 128.34 35.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.372 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.3 mtp -74.48 6.61 3.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.666 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -78.29 7.34 6.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.287 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -147.97 120.91 8.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.617 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -118.06 177.22 4.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.072 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -143.44 157.81 44.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.368 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -162.28 149.19 13.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.464 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.5 p -144.19 152.16 40.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.978 0.418 . . . . 0.0 110.747 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.419 ' CG2' ' SG ' ' A' ' 21' ' ' CYS . 5.8 pt -151.5 128.28 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.386 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.607 ' SD ' ' N ' ' A' ' 39' ' ' GLY . 1.1 tmm? -86.5 141.66 28.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.403 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.607 ' N ' ' SD ' ' A' ' 38' ' ' MET . . . -39.3 110.18 0.14 Allowed Glycine 0 CA--C 1.531 1.087 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -43.94 155.32 0.22 Allowed 'Trans proline' 0 N--CA 1.491 1.382 0 C-N-CA 122.214 1.943 . . . . 0.0 112.2 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -81.63 163.18 22.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.628 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 42' ' ' ASP . 10.5 t70 61.88 32.33 18.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.745 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.6 t -157.05 145.65 14.61 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.538 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.514 ' O ' ' N ' ' A' ' 46' ' ' GLN . 80.3 Cg_exo -38.87 -43.91 2.29 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 C-N-CA 122.637 2.225 . . . . 0.0 112.397 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -44.94 -15.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.833 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' A' ' 44' ' ' PRO . 8.3 mm100 -45.98 117.12 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.403 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.4 58.66 2.53 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -161.63 102.42 0.21 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.493 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 29.3 m -80.39 149.87 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.785 0.326 . . . . 0.0 110.552 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.493 ' CD1' ' O ' ' A' ' 49' ' ' VAL . 46.5 m-85 -145.43 136.27 24.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.55 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -109.88 150.83 27.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.384 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.72 147.62 26.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.36 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.77 167.08 12.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.339 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.3 mp -137.76 124.37 27.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.597 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -97.59 156.1 16.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.554 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -136.15 105.94 9.5 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.642 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.404 ' O ' ' N ' ' A' ' 60' ' ' TYR . 71.6 Cg_endo -81.16 157.5 20.1 Favored 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 122.279 1.986 . . . . 0.0 111.869 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 34.4 p -48.98 -36.15 16.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 110.408 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -89.26 23.14 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.394 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.553 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 46.9 t80 -43.68 -53.68 11.87 Favored Pre-proline 0 CA--C 1.534 0.347 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.588 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.553 ' HD2' ' N ' ' A' ' 60' ' ' TYR . 13.5 Cg_endo -55.8 -7.5 1.6 Allowed 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 122.13 1.887 . . . . 0.0 112.369 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -123.2 -37.01 2.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.982 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -109.7 119.23 48.38 Favored Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.691 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -52.3 162.35 2.17 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 122.036 1.824 . . . . 0.0 111.635 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.27 165.22 28.08 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 C-N-CA 122.635 2.223 . . . . 0.0 112.209 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.6 90.36 3.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.315 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.0 t -80.88 134.39 27.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.3 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -141.82 138.98 32.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.368 . . . . 0.0 110.884 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -84.35 110.28 18.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.296 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.7 p -61.71 -20.04 63.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.439 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.2 m -106.74 103.04 12.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.536 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.4 114.78 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.399 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 16.7 tt -116.43 156.7 17.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.562 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -94.22 47.6 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.552 ' HD1' ' N ' ' A' ' 76' ' ' PRO . 1.6 t-80 -101.22 116.32 63.99 Favored Pre-proline 0 CA--C 1.532 0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.537 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.552 ' N ' ' HD1' ' A' ' 75' ' ' HIS . 75.1 Cg_exo -44.45 -50.04 8.44 Favored 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 122.267 1.978 . . . . 0.0 112.269 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.473 ' N ' HD21 ' A' ' 77' ' ' ASN . 1.3 m-80 -55.73 -4.37 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.771 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.534 ' H ' ' C ' ' A' ' 76' ' ' PRO . 5.2 mp -140.03 130.89 31.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.666 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -88.33 -175.81 5.13 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.352 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 84.8 p -79.21 -15.83 57.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.316 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -78.99 -15.21 58.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.479 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 98.61 2.17 57.55 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.7 t -64.74 109.88 2.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.723 0.296 . . . . 0.0 110.6 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 6.2 mt -96.38 132.78 39.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.593 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 43.7 t -87.61 113.2 23.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.557 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.3 mt -135.81 147.3 48.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.435 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -69.08 -52.14 31.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.861 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.559 ' H ' HD12 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -51.87 -39.07 24.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.412 ' O ' ' CD2' ' A' ' 89' ' ' LEU . 1.1 tt -79.92 33.53 0.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.671 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.458 ' H ' ' C ' ' A' ' 88' ' ' ILE . 1.7 tmm_? -148.08 -94.21 0.08 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.348 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.559 ' C ' ' H ' ' A' ' 93' ' ' TRP . 48.9 m -98.56 -44.15 6.58 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.87 0.367 . . . . 0.0 110.973 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -70.23 29.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.181 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.559 ' H ' ' C ' ' A' ' 91' ' ' SER . 63.1 t-105 -78.66 123.5 27.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 0.0 110.479 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.509 ' C ' ' H ' ' A' ' 96' ' ' ALA . 2.6 m -135.94 116.58 11.51 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.613 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -54.26 -1.15 0.12 Allowed 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.536 2.157 . . . . 0.0 112.341 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.509 ' H ' ' C ' ' A' ' 94' ' ' SER . . . -119.45 30.88 6.87 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.442 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.451 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 3.9 pp -104.15 152.02 22.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.76 0.315 . . . . 0.0 110.306 179.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 32.8 m -93.96 150.61 20.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.898 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.488 ' CG2' ' N ' ' A' ' 100' ' ' SER . 3.4 tp -57.09 -44.61 83.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.496 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.488 ' N ' ' CG2' ' A' ' 99' ' ' ILE . 4.4 m -53.0 -39.08 62.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.512 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -53.87 -35.74 61.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.409 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 15.7 t -73.09 -51.43 26.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.72 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 43.5 mt -53.6 -42.78 68.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.684 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.3 mp -59.9 -24.94 64.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.379 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.6 m -74.62 -31.82 62.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.621 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 87.4 mt -70.25 -48.67 59.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.568 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 19.5 m -52.18 -37.36 54.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.685 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.0 m -81.96 -25.01 35.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.701 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.7 tp -67.46 -52.02 44.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.682 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.9 mp -54.75 -51.15 66.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.549 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.401 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 61.0 m -69.75 -14.98 63.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.756 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 111' ' ' CYS . 63.2 m-20 -159.6 81.43 2.49 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.762 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -79.27 -161.34 0.15 Allowed 'Trans proline' 0 C--N 1.309 -1.542 0 C-N-CA 122.503 2.136 . . . . 0.0 111.987 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -131.39 75.56 77.1 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.637 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -49.65 -17.84 2.22 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.745 2.297 . . . . 0.0 112.115 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.97 126.56 33.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.572 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 41.63 60.63 8.56 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.676 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -78.56 -162.53 0.18 Allowed 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.809 2.339 . . . . 0.0 112.258 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.5 tp -92.41 -28.07 17.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.478 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.9 t -133.92 76.85 64.06 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.566 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -50.36 -17.96 3.17 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.92 2.413 . . . . 0.0 112.404 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -68.92 -52.07 33.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.787 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 19.7 mt -78.35 -25.91 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.566 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.41 -51.71 68.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.309 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -54.84 -35.1 63.61 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.723 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 130' ' ' ASP . 23.7 mt -58.83 -56.29 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 110.399 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -63.88 -31.83 73.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.395 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -59.36 -62.44 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.11 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 78.7 p -98.41 -42.26 7.43 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.307 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 126' ' ' ILE . 8.9 m-20 -93.11 79.15 4.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.798 0.333 . . . . 0.0 110.685 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 21.6 tpt85 -78.88 -43.0 25.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.471 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -56.0 -47.23 78.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.671 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -59.82 -57.19 13.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.744 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.431 ' O ' ' OG ' ' A' ' 138' ' ' SER . 72.4 t80 -48.55 -35.85 14.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.794 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -67.76 -29.88 69.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 49.6 ttp85 -78.12 -50.06 12.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.879 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.525 ' N ' ' CD1' ' A' ' 137' ' ' ILE . 1.5 mp -69.07 -45.5 79.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.606 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 134' ' ' TYR . 85.6 p -55.31 -42.17 73.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.852 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -78.69 -48.36 15.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.929 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -50.86 -41.53 58.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.415 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' TRP . . . . . 0.532 ' O ' ' N ' ' A' ' 145' ' ' TYR . 13.7 m95 -74.36 -44.69 51.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.332 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.549 ' O ' ' N ' ' A' ' 146' ' ' ALA . 99.6 m -52.34 -53.98 37.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.749 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -55.7 -31.75 62.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -94.35 -18.88 21.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.543 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . 0.532 ' N ' ' O ' ' A' ' 141' ' ' TRP . 35.1 m-85 -121.59 19.35 11.18 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 121.141 -0.224 . . . . 0.0 111.239 -179.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . 0.549 ' N ' ' O ' ' A' ' 142' ' ' THR . . . -153.32 44.91 0.64 Allowed 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 21.6 mmt . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.419 179.862 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.536 ' SD ' ' CG2' ' B' ' 3' ' ' ILE . 11.4 tmm? . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.438 ' OE1' ' O ' ' B' ' 15' ' ' LEU . 3.8 tp-100 -81.41 145.91 30.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.536 ' CG2' ' SD ' ' B' ' 1' ' ' MET . 2.4 pp -148.02 153.43 11.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.323 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.577 ' CE2' ' CG2' ' B' ' 14' ' ' THR . 24.8 m-85 -106.92 109.88 21.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.443 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 1.4 p -95.68 111.52 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.419 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -99.05 115.97 30.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.27 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.0 p -96.23 174.26 6.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.807 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.09 -10.6 59.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.44 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 4.0 m -68.01 -5.35 16.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.507 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.22 25.02 60.18 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.513 ' CB ' ' HZ1' ' B' ' 11' ' ' LYS . 0.0 OUTLIER -125.65 145.55 50.11 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.825 0.345 . . . . 0.0 110.401 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -123.69 107.9 11.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.352 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 15.6 tt -116.41 147.1 20.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.526 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.577 ' CG2' ' CE2' ' B' ' 4' ' ' PHE . 21.7 p -96.76 124.89 40.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.438 ' O ' ' OE1' ' B' ' 2' ' ' GLN . 4.1 mm? -108.36 164.03 12.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.167 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.519 ' N ' ' OE1' ' B' ' 16' ' ' GLU . 16.0 mp0 -116.2 120.44 39.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.499 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -147.14 139.19 18.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.573 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -80.83 151.57 70.99 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.202 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.66 -25.1 40.64 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 122.579 2.186 . . . . 0.0 112.247 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.9 m -85.16 -17.15 38.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.802 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -66.86 141.23 57.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.341 . . . . 0.0 110.276 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.463 ' OG1' ' OD1' ' B' ' 25' ' ' ASN . 6.6 p -68.93 172.97 5.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.463 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 44.9 mm -70.4 -49.18 55.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.742 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -48.85 -29.56 4.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.258 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.463 ' OD1' ' OG1' ' B' ' 22' ' ' THR . 6.1 m120 -66.93 -50.26 62.92 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 -178.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.42 HG12 ' N ' ' B' ' 27' ' ' LYS . 7.2 p -56.04 -33.62 36.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.917 -179.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.42 ' N ' HG12 ' B' ' 26' ' ' VAL . 1.6 mtpm? -64.09 -29.07 70.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.0 0.429 . . . . 0.0 109.864 179.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.29 -27.85 61.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.768 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -77.39 -52.98 8.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.94 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 96.7 mt -58.4 -52.05 64.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.974 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' B' ' 35' ' ' GLY . 0.0 OUTLIER -56.68 -37.06 70.33 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.619 -179.716 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -74.72 -28.92 60.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.943 0.401 . . . . 0.0 110.204 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 11.5 tptp -76.62 -45.34 30.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.636 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -92.21 -37.06 12.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.694 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . 109.98 -26.35 14.17 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 75.6 mt -61.84 113.51 8.63 Favored Pre-proline 0 C--N 1.329 -0.308 0 C-N-CA 121.352 -0.139 . . . . 0.0 110.631 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -51.42 146.6 24.68 Favored 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 121.991 1.794 . . . . 0.0 111.864 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.533 ' C ' ' H ' ' B' ' 40' ' ' GLN . 48.8 Cg_exo -51.15 -46.27 32.05 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 122.369 2.046 . . . . 0.0 112.27 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -55.67 -2.22 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.445 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.533 ' H ' ' C ' ' B' ' 38' ' ' PRO . 42.2 mt-30 -117.64 -2.14 11.49 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.656 0.265 . . . . 0.0 110.893 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -147.28 127.85 14.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.959 0.409 . . . . 0.0 110.753 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -115.1 155.05 27.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.148 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 mp -110.3 132.22 54.36 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.936 0.398 . . . . 0.0 110.603 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 82.5 mt -131.14 141.51 45.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.01 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -129.07 122.48 30.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.543 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.69 29.09 18.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.44 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.93 28.06 63.37 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.561 ' HZ3' ' CB ' ' B' ' 48' ' ' LYS . 2.1 ttmp? -132.79 131.5 41.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.786 0.327 . . . . 0.0 110.497 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.561 ' H ' ' CD ' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -68.81 133.63 48.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.622 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 71.7 mt -82.78 111.39 18.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.519 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' B' ' 51' ' ' GLU . 0.3 OUTLIER -49.37 124.36 9.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.281 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -56.72 -35.72 68.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.044 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.66 62.77 0.7 Allowed Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 4.7 mmt-85 -152.17 171.19 18.3 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 10.6 p -111.76 147.0 36.6 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.401 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 18.6 mt -60.36 -27.9 67.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.482 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 8.1 t -59.8 -28.99 67.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.521 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -70.14 -45.06 67.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.599 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -70.18 -1.34 9.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.418 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 48.01 56.83 6.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.787 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 mt -94.37 127.83 46.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.581 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -80.85 -171.2 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.629 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.533 ' C ' ' H ' ' B' ' 65' ' ' SER . 0.0 OUTLIER -85.44 164.09 18.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.509 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.428 ' H ' ' HG2' ' B' ' 63' ' ' LYS . 20.3 tt0 60.13 0.23 0.27 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.672 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.533 ' H ' ' C ' ' B' ' 63' ' ' LYS . 10.1 p -45.14 168.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.463 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.93 110.01 14.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.484 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.441 ' CD1' ' N ' ' B' ' 67' ' ' LEU . 10.0 mp -95.9 143.39 27.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.417 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -101.2 132.67 46.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.504 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 12.2 tp -111.3 110.59 21.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.635 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -104.37 160.99 4.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.338 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.45 ' CD1' ' N ' ' B' ' 71' ' ' LEU . 10.1 mp -93.73 132.43 38.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.636 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -115.76 131.19 57.01 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.421 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.598 -179.871 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.1 mt -51.58 -36.89 47.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.695 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -60.06 -44.69 94.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.714 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.4 mtt-85 -74.97 -43.81 51.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.679 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 90.3 mt -58.86 -44.22 90.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.681 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -62.4 -31.53 72.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.679 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -60.97 -34.07 74.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.526 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -62.51 -30.65 71.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.58 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.23 -21.64 59.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.576 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.8 m -65.12 -51.05 63.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.421 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 35.8 t0 -75.15 -22.02 58.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.69 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 tp -83.97 -19.43 34.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.671 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.61 -32.7 25.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.777 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.31 -88.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.574 -179.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -113.89 88.88 15.04 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.691 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -80.41 163.96 21.68 Favored 'Trans proline' 0 C--N 1.309 -1.502 0 C-N-CA 122.459 2.106 . . . . 0.0 111.95 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -51.58 127.84 24.01 Favored 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 122.403 2.069 . . . . 0.0 112.061 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.25 -35.34 61.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.686 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -85.57 -44.87 12.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.831 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.479 ' SG ' ' O ' ' A' ' 36' ' ' THR . 10.2 t -95.49 169.68 9.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.889 0.376 . . . . 0.0 110.617 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.2 m -139.08 155.1 48.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.272 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.99 176.15 3.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.749 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.48 138.24 2.77 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -45.02 146.28 2.61 Favored 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 122.294 1.996 . . . . 0.0 111.978 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.4 t -100.38 93.99 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.331 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.521 ' C ' ' H ' ' A' ' 29' ' ' ASP . . . 86.36 172.7 48.77 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.43 ' O ' ' OD1' ' A' ' 28' ' ' ASP . 39.9 t0 -71.87 13.61 0.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.809 0.338 . . . . 0.0 110.593 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.521 ' H ' ' C ' ' A' ' 27' ' ' GLY . 16.5 t70 -107.34 101.91 11.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.549 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.558 ' C ' ' H ' ' A' ' 32' ' ' HIS . 0.1 OUTLIER -55.99 -161.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.129 179.873 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 58.02 0.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.658 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.558 ' H ' ' C ' ' A' ' 30' ' ' MET . 11.1 t-160 -128.12 120.91 28.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.351 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 21.7 m95 -127.81 171.3 11.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.532 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -141.23 157.84 44.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.452 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.63 157.77 43.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.693 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.479 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 7.3 m -145.96 145.92 30.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.436 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mt -146.61 160.15 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.485 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.463 ' O ' ' C ' ' A' ' 39' ' ' GLY . 0.8 OUTLIER -131.0 129.92 42.69 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.479 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 38' ' ' MET . . . -31.0 96.76 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -50.29 144.68 22.9 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 122.356 2.037 . . . . 0.0 112.088 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.67 ' ND2' ' H ' ' A' ' 42' ' ' ASP . 0.7 OUTLIER -56.52 166.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.478 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.677 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 2.5 m-20 58.12 40.97 24.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.459 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.77 149.25 21.82 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.25 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.604 ' CG ' ' HG ' ' A' ' 138' ' ' SER . 51.1 Cg_endo -69.83 0.6 5.47 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.485 2.123 . . . . 0.0 112.264 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.545 ' OH ' ' CD2' ' A' ' 75' ' ' HIS . 30.8 m-85 -90.07 -5.74 56.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.684 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.677 ' NE2' ' H ' ' A' ' 42' ' ' ASP . 72.7 mt-30 -55.83 116.88 3.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.487 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 141.03 -75.5 0.34 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -78.94 171.94 55.19 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.1 t -123.57 147.01 28.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.73 0.3 . . . . 0.0 110.464 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 37.6 m-85 -109.36 170.86 7.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -140.0 153.09 46.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.382 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.512 ' CD2' ' N ' ' A' ' 53' ' ' THR . 7.6 tt -149.87 156.71 42.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.406 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.512 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 2.3 m -137.86 131.26 30.78 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.636 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.467 ' CD1' ' N ' ' A' ' 54' ' ' ILE . 0.7 OUTLIER -101.62 122.12 53.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.548 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -107.88 144.25 35.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.705 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -115.82 128.39 26.01 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.145 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.534 ' C ' ' H ' ' A' ' 59' ' ' ASP . 93.1 Cg_endo -81.28 135.54 9.6 Favored 'Trans proline' 0 N--CA 1.491 1.325 0 C-N-CA 122.297 1.998 . . . . 0.0 112.106 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.9 p -50.26 -11.48 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.222 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.534 ' H ' ' C ' ' A' ' 57' ' ' PRO . 1.2 m-20 -81.26 23.74 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.567 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.497 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 77.2 m-85 75.65 149.2 0.12 Allowed Pre-proline 0 N--CA 1.463 0.182 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.569 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.529 ' C ' ' H ' ' A' ' 63' ' ' LYS . 50.7 Cg_endo -69.11 -30.39 25.38 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.686 2.257 . . . . 0.0 113.841 -179.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.48 ' C ' ' CD1' ' A' ' 62' ' ' PHE . 2.8 p90 -46.61 -13.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.438 -179.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.529 ' H ' ' C ' ' A' ' 61' ' ' PRO . 26.6 mtpt -92.05 154.5 43.37 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.86 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.82 107.67 0.27 Allowed 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.656 2.237 . . . . 0.0 111.908 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.476 ' CD ' ' CZ3' ' A' ' 93' ' ' TRP . 31.5 Cg_exo -55.48 172.13 0.52 Allowed 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.32 2.014 . . . . 0.0 112.267 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.31 82.89 1.71 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.346 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.7 p -86.27 148.07 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.506 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -151.02 135.87 17.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.787 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -87.87 106.65 18.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.009 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -40.01 92.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.691 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.467 ' CG2' ' N ' ' A' ' 72' ' ' ARG . 93.8 m -86.48 166.58 15.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.577 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.467 ' N ' ' CG2' ' A' ' 71' ' ' THR . 0.0 OUTLIER -96.51 145.34 25.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.124 179.814 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.1 tt -153.1 136.53 7.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.577 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.437 ' O ' ' OH ' ' A' ' 134' ' ' TYR . 6.7 t80 -93.2 88.19 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.578 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.545 ' CD2' ' OH ' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -138.08 144.94 45.62 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.036 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -69.88 -24.16 29.43 Favored 'Trans proline' 0 C--N 1.31 -1.468 0 C-N-CA 122.431 2.088 . . . . 0.0 111.816 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -90.69 -17.27 27.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.58 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 48.4 mt -130.32 120.39 48.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.54 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.507 ' ND2' ' H ' ' A' ' 80' ' ' SER . 4.5 t-20 -79.98 159.59 26.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.64 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.507 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 39.7 m -66.91 -21.31 65.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.581 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -72.86 -1.13 15.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.468 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.82 35.09 20.1 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.9 m -96.44 104.77 16.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.759 0.314 . . . . 0.0 110.562 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.572 ' N ' ' CD1' ' A' ' 84' ' ' ILE . 2.0 mp -91.84 134.36 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.23 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 56.9 m -127.22 126.04 42.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.598 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.1 mt -143.39 163.34 33.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.297 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -69.03 -52.22 30.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.761 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.8 pp -59.32 -16.79 10.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.747 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.7 tp -80.84 -12.87 59.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.938 0.399 . . . . 0.0 110.162 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.7 tpt85 -95.87 -130.22 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.472 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.508 ' C ' ' H ' ' A' ' 93' ' ' TRP . 25.7 t -78.81 -17.95 54.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.727 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -72.65 16.32 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.38 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.64 ' CD1' ' N ' ' A' ' 94' ' ' SER . 29.5 t-105 -76.72 157.4 31.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.543 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.64 ' N ' ' CD1' ' A' ' 93' ' ' TRP . 4.6 m -139.68 121.87 10.04 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.302 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -45.77 -9.87 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 122.029 1.82 . . . . 0.0 112.012 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.557 ' H ' ' C ' ' A' ' 94' ' ' SER . . . -110.2 23.01 14.86 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 94' ' ' SER . 2.7 tt -79.89 115.82 19.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.415 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 99' ' ' ILE . 5.3 t -81.95 -171.94 3.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.461 ' N ' ' OG1' ' A' ' 98' ' ' THR . 8.5 mm -92.12 -43.71 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.49 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.1 m -52.91 -18.95 2.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.968 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -82.06 -51.1 8.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.916 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 24.5 t -54.82 -51.45 52.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.734 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.413 ' N ' ' CD1' ' A' ' 103' ' ' LEU . 8.4 mp -53.08 -50.1 65.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.605 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -45.11 89.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.349 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.1 t -48.95 -49.51 40.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.57 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.15 -47.12 95.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.563 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.3 t -55.58 -31.74 62.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.578 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.522 ' HG ' ' N ' ' A' ' 109' ' ' LEU . 19.5 p -71.62 -31.27 66.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.648 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.522 ' N ' ' HG ' ' A' ' 108' ' ' SER . 0.2 OUTLIER -62.31 -49.69 74.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.364 -179.841 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 17.2 mt -63.49 -37.03 85.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.615 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 16.2 t -65.94 -30.51 71.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -145.76 80.15 10.75 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.617 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -79.19 115.34 3.48 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 122.66 2.24 . . . . 0.0 112.197 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -107.79 109.99 62.39 Favored Pre-proline 0 CA--C 1.532 0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.569 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -78.86 37.58 0.67 Allowed 'Trans proline' 0 N--CA 1.491 1.344 0 C-N-CA 122.34 2.027 . . . . 0.0 111.879 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -82.96 -34.15 26.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.738 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -142.01 60.42 10.86 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.803 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -78.86 -174.19 2.18 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.841 2.36 . . . . 0.0 111.951 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.54 12.86 3.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.349 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.0 t -138.45 67.63 45.38 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.252 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -44.71 -20.58 0.37 Allowed 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.874 2.382 . . . . 0.0 112.345 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -69.99 -46.97 64.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.586 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 85.2 mt -77.97 -46.28 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.805 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.98 -44.87 60.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.717 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -54.98 -52.08 64.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.678 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' A' ' 130' ' ' ASP . 57.0 mt -57.81 -56.18 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.581 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -55.36 -31.92 62.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.79 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.481 ' CB ' ' HZ1' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -71.02 -68.15 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.566 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 48.6 p -76.62 -42.22 43.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.219 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' A' ' 126' ' ' ILE . 36.6 m-20 -101.63 94.91 6.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.711 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 5.3 tpt85 -88.03 -30.86 19.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.624 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -74.12 -49.13 25.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.995 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -59.65 -57.23 13.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.728 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.467 ' C ' ' CD1' ' A' ' 134' ' ' TYR . 18.2 t80 -48.55 -44.2 36.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.632 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -54.47 -31.01 54.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.793 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 36.2 ttt85 -76.78 -48.76 17.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.817 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 4.4 mm -56.92 -44.48 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.638 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' SER . . . . . 0.604 ' HG ' ' CG ' ' A' ' 44' ' ' PRO . 90.2 p -47.77 -53.09 16.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.055 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -78.78 -33.18 46.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.22 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -50.83 -47.04 60.2 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.796 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' TRP . . . . . 0.443 ' CE3' ' CE2' ' A' ' 145' ' ' TYR . 27.7 m95 -74.17 -42.12 60.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.639 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 22.9 m -58.5 -18.61 30.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.955 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -75.94 -37.59 58.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.86 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -101.27 -18.94 15.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.205 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . 0.443 ' CE2' ' CE3' ' A' ' 141' ' ' TRP . 71.7 m-85 -109.26 19.26 19.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.6 -179.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -166.53 5.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.666 -0.413 . . . . 0.0 110.821 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 14.3 mtm . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.396 179.867 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.505 ' N ' ' O ' ' B' ' 17' ' ' VAL . 5.2 ptt? . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -84.96 134.33 34.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.686 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.8 pt -132.34 160.97 42.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.414 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -96.98 133.08 42.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.458 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 59.6 t -123.32 103.0 12.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.528 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -85.54 130.02 34.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.46 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.532 ' OG1' ' N ' ' B' ' 11' ' ' LYS . 35.5 p -86.99 176.62 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.874 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tt -75.03 -39.17 61.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.047 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.2 p -69.33 -18.29 63.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.647 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.98 -8.18 21.43 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.532 ' N ' ' OG1' ' B' ' 7' ' ' THR . 1.2 tmtp? -63.73 134.19 54.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.718 0.294 . . . . 0.0 110.346 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 60.5 m -127.74 131.61 49.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.783 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 9.0 pt -148.43 147.18 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.45 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 32.1 p -74.56 142.72 44.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.52 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 tp -127.55 134.97 49.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.312 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -88.4 119.39 28.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.526 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' B' ' 1' ' ' MET . 3.9 t -143.5 166.78 13.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.635 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -120.45 155.75 56.18 Favored Pre-proline 0 C--N 1.332 -0.166 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.925 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.35 -32.88 40.18 Favored 'Trans proline' 0 C--N 1.308 -1.586 0 C-N-CA 122.653 2.235 . . . . 0.0 112.46 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.7 m -86.42 -17.08 35.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.007 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -57.85 129.83 43.71 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.35 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.67 140.91 49.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.343 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 67.3 mt -55.0 -39.69 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.423 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -48.92 -30.01 5.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.562 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -79.91 -34.28 39.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.721 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 86.2 t -53.04 -41.05 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.366 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.419 ' NZ ' ' OD1' ' B' ' 52' ' ' ASP . 1.7 mptm? -57.31 -41.84 80.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.426 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.06 -46.24 85.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.711 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 52.1 mttm -56.16 -53.89 51.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.653 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 4.4 mm -47.99 -42.8 10.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.732 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.421 ' HA ' ' H ' ' B' ' 36' ' ' ILE . 37.3 tt0 -60.21 -54.3 47.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.323 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -60.21 -28.62 68.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.575 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -83.24 -66.0 0.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.502 ' OE2' ' CG2' ' B' ' 7' ' ' THR . 6.2 mt-10 -85.9 -37.47 19.07 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -178.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.76 67.07 0.87 Allowed Glycine 0 CA--C 1.528 0.894 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.978 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.422 ' CD1' ' N ' ' B' ' 36' ' ' ILE . 0.0 OUTLIER -139.68 106.0 6.97 Favored Pre-proline 0 CA--C 1.532 0.275 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.143 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.455 ' C ' ' H ' ' B' ' 39' ' ' ASP . 50.4 Cg_exo -51.17 115.8 2.27 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 121.991 1.794 . . . . 0.0 112.21 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -47.37 -12.17 0.11 Allowed 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.536 2.157 . . . . 0.0 112.439 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.455 ' H ' ' C ' ' B' ' 37' ' ' PRO . 20.5 m-20 -60.32 -28.3 68.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.303 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -130.24 -1.86 4.51 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.499 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -95.6 136.41 36.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.007 0.432 . . . . 0.0 111.13 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.676 ' HE ' ' NH2' ' B' ' 72' ' ' ARG . 0.3 OUTLIER -145.15 146.72 31.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.894 179.466 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.7 mp -108.37 157.45 18.38 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.984 0.421 . . . . 0.0 110.748 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 11.7 mt -144.01 130.43 16.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.409 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.411 ' O ' ' N ' ' B' ' 48' ' ' LYS . 60.7 t80 -111.92 130.23 55.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.499 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.13 33.52 7.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.495 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.6 18.72 80.01 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' B' ' 45' ' ' PHE . 80.5 mttt -122.73 117.96 26.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.775 0.322 . . . . 0.0 110.534 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -56.3 130.35 44.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.439 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.475 ' CD1' ' N ' ' B' ' 50' ' ' LEU . 8.7 mp -68.11 -178.95 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.569 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.526 ' OE1' ' NE ' ' B' ' 54' ' ' ARG . 91.8 mt-10 -132.68 116.47 16.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.366 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.419 ' OD1' ' NZ ' ' B' ' 27' ' ' LYS . 3.9 m-20 -61.67 -21.87 64.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.96 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.97 -67.71 1.92 Allowed Glycine 0 CA--C 1.528 0.846 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.099 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.526 ' NE ' ' OE1' ' B' ' 51' ' ' GLU . 9.5 ptp180 -76.75 174.02 10.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.996 0.427 . . . . 0.0 111.297 -178.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.447 ' O ' ' OD1' ' B' ' 58' ' ' ASP . 16.9 p -91.41 -173.46 3.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.78 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 13.3 mt -80.34 -21.74 42.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.763 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.415 ' OG ' ' OG1' ' B' ' 55' ' ' THR . 35.5 p -53.89 -38.89 65.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.044 -179.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' B' ' 55' ' ' THR . 0.1 OUTLIER -66.94 -33.68 76.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.752 -179.727 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.504 ' C ' ' H ' ' B' ' 61' ' ' ILE . 35.0 m-85 -81.41 15.7 1.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.587 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 55.52 6.12 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.809 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.504 ' H ' ' C ' ' B' ' 59' ' ' TYR . 50.2 mt -75.59 121.61 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.237 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -163.05 92.26 0.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.77 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 44.4 tttt 66.98 148.96 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.748 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 51.28 33.65 10.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 84.6 p -105.12 134.1 48.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.608 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 26.4 m -101.84 113.88 27.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.424 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 10.7 mt -102.6 132.44 48.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.67 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -89.03 110.69 21.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.342 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.4 tp -77.54 142.11 39.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.628 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 33.1 t -135.74 112.02 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.208 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.7 tt -94.22 111.71 23.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.732 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.676 ' NH2' ' HE ' ' B' ' 42' ' ' ARG . 30.4 ttm-85 -81.39 158.81 24.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.115 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 2.5 mp . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.593 -179.816 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.452 ' CD1' ' N ' ' A' ' 3' ' ' LEU . 10.0 mp -50.27 -31.56 14.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.44 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -64.77 -45.08 87.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.294 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -71.23 -38.08 71.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.386 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 75.6 mt -68.42 -38.95 80.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.439 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.481 ' O ' ' ND2' ' A' ' 7' ' ' ASN . 0.5 OUTLIER -62.5 -21.03 65.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.455 179.839 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.7 tttt -60.94 -47.31 87.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.406 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.416 ' N ' ' CD ' ' A' ' 9' ' ' GLU . 23.1 mp0 -59.55 -52.04 67.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.613 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.93 -33.72 18.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.324 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.0 t -61.27 -38.93 88.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.471 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.31 -51.35 63.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.454 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.418 ' N ' ' CD1' ' A' ' 13' ' ' LEU . 9.0 mp -54.92 -27.88 46.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.151 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.54 -16.87 60.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.265 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 56.9 mtp85 -100.71 -57.08 2.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.79 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.41 ' OD2' ' O ' ' A' ' 16' ' ' ASP . 6.4 p-10 -161.77 89.1 1.49 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.952 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -55.07 161.42 6.66 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.513 2.142 . . . . 0.0 111.453 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 21' ' ' CYS . 18.9 Cg_endo -60.28 129.97 32.12 Favored 'Trans proline' 0 C--N 1.307 -1.631 0 C-N-CA 122.368 2.046 . . . . 0.0 111.584 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.14 -52.14 13.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.066 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -60.62 -56.04 26.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.791 0.329 . . . . 0.0 110.663 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.64 ' SG ' ' N ' ' A' ' 22' ' ' SER . 19.4 t -107.37 168.11 9.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.64 ' N ' ' SG ' ' A' ' 21' ' ' CYS . 1.8 p -121.61 169.94 10.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.88 0.371 . . . . 0.0 110.652 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.73 159.42 5.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.487 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.06 116.81 0.46 Allowed Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -80.58 148.14 17.97 Favored 'Trans proline' 0 N--CA 1.49 1.316 0 C-N-CA 122.321 2.014 . . . . 0.0 112.134 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.4 t -69.28 111.32 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.529 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -44.13 -25.91 0.79 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.52 -61.82 1.74 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.781 0.324 . . . . 0.0 110.644 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -142.41 149.59 39.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.638 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -88.02 52.37 2.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.521 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -141.13 8.54 2.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.29 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -134.17 120.87 20.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.865 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 40.9 m95 -124.71 143.58 50.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.703 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -128.55 159.9 34.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.387 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -158.62 141.16 14.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.708 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.445 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 3.9 m -125.01 154.81 40.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.426 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.5 pt -139.97 125.47 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.628 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.591 ' SD ' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -91.31 131.45 36.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.403 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.591 ' N ' ' SD ' ' A' ' 38' ' ' MET . . . -40.66 123.0 2.26 Favored Glycine 0 CA--C 1.531 1.086 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.26 161.66 31.88 Favored 'Trans proline' 0 N--CA 1.492 1.416 0 C-N-CA 122.209 1.939 . . . . 0.0 112.073 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -83.21 46.59 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.527 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.416 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 23.9 t70 -161.21 23.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.51 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.6 t -152.97 142.98 15.2 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.216 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -70.18 64.18 2.04 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.314 2.009 . . . . 0.0 111.92 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -150.77 -1.25 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.348 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -46.47 149.21 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.499 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.5 35.33 63.01 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -150.87 138.5 6.66 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.4 m -115.19 148.17 18.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.795 0.331 . . . . 0.0 110.56 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.581 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 1.9 m-85 -137.54 138.23 39.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.455 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.432 ' O ' ' OG1' ' A' ' 70' ' ' THR . 61.1 m-85 -101.31 138.16 38.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.475 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.02 112.46 16.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.093 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.73 131.29 36.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.408 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.7 mp -113.62 112.79 41.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.577 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -78.0 132.83 37.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.306 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -109.33 105.42 57.18 Favored Pre-proline 0 CA--C 1.532 0.251 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.83 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -83.75 167.14 13.16 Favored 'Trans proline' 0 C--N 1.312 -1.359 0 C-N-CA 122.427 2.084 . . . . 0.0 111.691 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.9 p -63.94 -34.78 78.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.913 0.387 . . . . 0.0 110.412 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -84.57 23.79 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.664 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.579 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 80.0 t80 -54.62 -37.54 56.19 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.081 -179.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 60' ' ' TYR . 17.7 Cg_exo -64.49 -14.75 46.1 Favored 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 121.982 1.788 . . . . 0.0 112.407 -179.271 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -123.21 -49.39 1.94 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.81 0.338 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.79 133.59 26.35 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.205 -179.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -69.89 161.34 46.32 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 122.204 1.936 . . . . 0.0 112.291 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.17 166.1 30.89 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.657 2.238 . . . . 0.0 112.264 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 48.1 tttm -108.83 84.0 1.85 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.415 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.7 p -81.02 148.1 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -151.12 145.9 25.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.541 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.76 114.14 8.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.232 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 51' ' ' PHE . 56.6 p -64.74 -19.97 66.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.668 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 p -123.23 148.78 45.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.532 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -79.51 123.16 27.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.148 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 14.7 tt -134.59 120.86 33.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.587 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.21 98.74 0.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.233 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.538 ' ND1' ' OD1' ' A' ' 77' ' ' ASN . 1.6 t-80 -152.13 121.02 3.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.178 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.518 ' C ' ' H ' ' A' ' 78' ' ' ILE . 84.5 Cg_exo -43.22 -51.75 5.47 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 C-N-CA 122.239 1.959 . . . . 0.0 112.343 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.538 ' OD1' ' ND1' ' A' ' 75' ' ' HIS . 1.3 p30 -65.54 6.58 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.518 ' H ' ' C ' ' A' ' 76' ' ' PRO . 10.4 mt -148.21 115.87 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.654 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.46 ' CG ' ' H ' ' A' ' 80' ' ' SER . 18.4 t-20 -78.47 -157.33 0.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.558 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.46 ' H ' ' CG ' ' A' ' 79' ' ' ASN . 8.4 t -88.76 -26.2 21.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.744 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -73.03 3.67 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.576 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.22 5.26 87.3 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.7 m -56.41 143.67 33.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.332 . . . . 0.0 110.541 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 6.3 mt -131.25 130.06 63.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.516 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 12.2 t -94.66 112.76 24.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.655 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.9 mt -130.51 145.64 51.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.03 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -65.73 -52.07 54.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.912 -179.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.42 HD11 HG23 ' A' ' 88' ' ' ILE . 0.1 OUTLIER -58.97 -20.4 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.566 -178.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.419 ' H ' HD12 ' A' ' 88' ' ' ILE . 4.0 tp -90.67 27.89 1.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 110.44 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -140.42 -102.18 0.15 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 27.3 p -97.91 -17.14 19.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.642 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -87.75 18.53 3.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.659 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 72.1 t-105 -76.02 151.59 37.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.173 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.4 m -142.66 126.38 9.54 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.62 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -45.82 -35.84 14.2 Favored 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 122.179 1.919 . . . . 0.0 112.134 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.83 5.55 51.3 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.966 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.3 tt -43.9 149.69 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.468 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.7 p -105.95 131.98 52.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.474 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.413 ' CG2' ' N ' ' A' ' 100' ' ' SER . 9.7 tp -48.82 -40.02 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.946 0.403 . . . . 0.0 110.12 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.413 ' N ' ' CG2' ' A' ' 99' ' ' ILE . 10.3 t -59.8 -15.28 19.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.763 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -82.41 -34.94 28.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.356 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.7 t -68.84 -54.4 20.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.671 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.19 -37.54 80.54 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.3 -179.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.84 -41.29 91.07 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.324 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.0 m -54.2 -22.01 10.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.823 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.2 mm -69.13 -55.44 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.448 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 111' ' ' CYS . 12.4 t -50.97 -50.19 58.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.552 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 46.7 m -53.91 -33.92 58.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.626 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.52 ' CD1' HD21 ' A' ' 77' ' ' ASN . 0.1 OUTLIER -72.33 -49.62 33.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.473 -179.879 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 39.1 mt -69.35 -28.26 66.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.572 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 107' ' ' CYS . 81.1 m -69.73 -8.45 48.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.474 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -153.79 90.31 3.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.45 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -79.3 80.97 2.92 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.436 2.091 . . . . 0.0 112.089 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -95.97 111.17 55.28 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.447 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -79.12 46.31 2.16 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 122.248 1.965 . . . . 0.0 111.99 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.53 -39.33 13.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.649 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -141.44 62.38 15.37 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.692 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -79.96 -177.1 3.58 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.904 2.403 . . . . 0.0 112.031 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 78.9 mt -101.1 -38.14 8.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.595 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.3 t -116.49 84.17 14.47 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.538 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -47.43 -18.02 0.73 Allowed 'Trans proline' 0 C--N 1.309 -1.54 0 C-N-CA 122.485 2.123 . . . . 0.0 112.017 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -63.85 -41.75 97.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.476 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 43.2 mt -75.18 -32.64 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.445 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.17 -45.8 86.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.689 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -54.96 -35.48 64.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.547 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 130' ' ' ASP . 37.2 mt -69.78 -56.07 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.442 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.528 ' O ' ' NH1' ' A' ' 131' ' ' ARG . 68.3 t80 -62.6 -31.62 72.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.753 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -50.8 -50.77 55.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.37 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 13.6 p -127.61 -39.84 1.8 Allowed 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 121.081 -0.248 . . . . 0.0 111.218 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 126' ' ' ILE . 38.3 t0 -79.96 98.25 7.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.829 0.347 . . . . 0.0 110.847 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.528 ' NH1' ' O ' ' A' ' 127' ' ' TYR . 0.2 OUTLIER -95.37 -40.59 9.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.281 179.709 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.99 -48.99 52.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.828 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 136' ' ' ARG . 49.7 tttp -69.84 -52.86 21.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.479 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -48.38 -27.67 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.461 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -74.92 -29.83 61.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.414 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 133' ' ' LYS . 12.9 ttm-85 -72.7 -50.16 26.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.94 -49.16 84.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 110.706 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' SER . . . . . 0.473 ' O ' ' OG1' ' A' ' 142' ' ' THR . 68.3 m -45.96 -48.11 16.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.923 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 42.5 mtp85 -79.11 -40.55 30.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.202 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -51.01 -41.05 59.55 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.94 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -84.82 -5.69 59.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.903 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 138' ' ' SER . 29.5 m -82.5 -60.28 2.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.911 0.386 . . . . 0.0 110.504 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -62.11 -31.35 71.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.625 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -48.53 -52.11 24.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.187 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -133.02 -33.15 1.17 Allowed 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.425 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 142' ' ' THR . . . -71.72 58.2 0.31 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.905 0.383 . . . . 0.0 110.757 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 2.3 mtm . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.296 179.862 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 39.3 mtm . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -123.42 101.52 7.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.419 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 26.4 pt -97.97 -175.91 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.368 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -126.45 129.14 48.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.886 0.374 . . . . 0.0 110.741 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 89.7 t -107.94 108.76 26.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.405 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.0 tttm -84.91 135.74 33.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.724 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' B' ' 11' ' ' LYS . 16.4 m -104.54 152.19 22.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.404 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 tp -56.48 -31.85 64.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.48 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 2.8 m -78.82 1.47 23.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.539 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.93 0.36 85.73 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.431 ' O ' ' OG1' ' B' ' 7' ' ' THR . 0.7 OUTLIER -74.53 101.27 4.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.86 0.362 . . . . 0.0 110.354 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 32.7 m -94.29 141.86 28.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.456 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.408 HG12 ' HZ3' ' B' ' 33' ' ' LYS . 9.5 tt -151.08 147.04 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.625 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 18.9 p -87.8 130.84 34.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.842 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 8.8 tp -104.85 145.48 30.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.534 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -107.19 109.23 21.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.465 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 12.7 p -155.41 161.26 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.637 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.59 162.21 32.14 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.37 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.99 -16.16 25.82 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.732 2.288 . . . . 0.0 112.437 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.7 t -100.76 7.02 44.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.803 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -80.22 140.21 36.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.46 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 13.0 p -81.6 141.16 33.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.659 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 29.3 mm -49.29 -33.54 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.526 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -48.9 -37.16 18.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.27 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -83.79 -38.44 21.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.641 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 46.0 t -52.94 -48.1 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.366 . . . . 0.0 110.376 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.524 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 75.8 mttt -55.27 -48.97 73.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.38 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.87 -33.86 73.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.305 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 tptp -57.75 -49.37 76.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.246 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 64.8 mt -66.75 -31.99 55.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.607 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' B' ' 35' ' ' GLY . 5.5 tm0? -66.56 -54.52 22.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -60.51 -28.85 68.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.91 0.386 . . . . 0.0 110.375 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.408 ' HZ3' HG12 ' B' ' 13' ' ' ILE . 9.2 tttt -55.07 -66.09 0.47 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.915 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -105.14 -37.2 7.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.119 -179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . 123.73 31.71 0.93 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 22.4 mt -91.99 114.06 60.9 Favored Pre-proline 0 C--N 1.328 -0.338 0 N-CA-C 110.516 -0.179 . . . . 0.0 110.516 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.27 148.69 18.2 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 122.012 1.808 . . . . 0.0 111.716 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -70.71 -20.4 30.41 Favored 'Trans proline' 0 C--N 1.309 -1.525 0 C-N-CA 122.656 2.238 . . . . 0.0 112.51 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -87.09 -1.88 58.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.213 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -116.98 -1.9 11.86 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.042 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' B' ' 27' ' ' LYS . 0.7 OUTLIER -127.65 94.22 3.91 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.772 0.32 . . . . 0.0 110.696 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -97.56 126.4 42.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.299 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.497 ' N ' ' CD1' ' B' ' 43' ' ' LEU . 8.9 mp -85.91 153.56 22.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.695 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 10.2 mt -144.16 128.0 12.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.374 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -118.44 129.68 55.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.55 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.9 28.9 11.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.682 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.36 28.08 58.47 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -134.73 137.76 43.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.808 0.337 . . . . 0.0 110.572 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.62 137.42 49.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.377 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.552 ' CD1' ' N ' ' B' ' 50' ' ' LEU . 7.0 mp -80.72 177.04 9.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.526 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -127.05 136.11 51.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.314 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.7 p30 -60.18 -19.19 52.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.895 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.74 -18.88 39.22 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.764 -0.535 . . . . 0.0 111.764 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.433 ' CB ' ' OH ' ' B' ' 59' ' ' TYR . 0.3 OUTLIER -76.84 166.23 23.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.944 0.402 . . . . 0.0 110.679 -179.724 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 7.4 p -121.17 174.91 6.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.21 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 mp -68.94 -43.89 74.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.104 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 24.3 p -54.06 -28.92 41.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.608 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -58.55 -45.17 89.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.635 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.433 ' OH ' ' CB ' ' B' ' 54' ' ' ARG . 2.6 m-85 -95.05 19.02 11.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.421 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 72.88 -74.08 0.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.918 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 18.7 mm 51.26 93.28 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.344 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.442 ' O ' ' O ' ' B' ' 63' ' ' LYS . 18.8 mm100 -97.58 54.79 1.19 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.923 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' B' ' 62' ' ' GLN . 23.3 ttmt 56.4 158.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 110.575 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 55.21 29.55 12.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.758 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 39.4 m -75.45 168.08 20.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.378 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.9 m -136.46 109.01 7.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.671 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 mp -102.22 156.43 17.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.26 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -98.3 123.64 42.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.611 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.412 ' C ' ' CD2' ' B' ' 69' ' ' LEU . 3.5 tt -108.27 113.78 27.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.282 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 5.1 t -105.97 143.43 16.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.74 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.428 ' CD1' ' N ' ' B' ' 71' ' ' LEU . 10.5 mp -94.44 152.01 18.93 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.509 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 48.5 ttt85 -105.42 98.77 8.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.482 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.308 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.7 mt -67.78 -30.01 69.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.542 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.08 -39.96 63.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.568 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -65.41 -46.19 80.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.859 0.362 . . . . 0.0 110.09 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 73.4 mt -63.2 -45.25 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.559 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -52.94 -30.2 33.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.479 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -66.82 -33.92 76.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.496 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.519 ' OE2' ' N ' ' A' ' 99' ' ' ILE . 2.1 tt0 -69.56 -49.3 55.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.314 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.58 -23.37 6.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.126 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.1 t -63.25 -40.83 98.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.559 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -77.46 -37.12 52.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.555 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 tp -65.28 -61.04 2.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.526 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.92 -27.78 14.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.601 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -38.64 78.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.449 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -172.71 86.02 0.42 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.518 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -46.21 133.52 15.31 Favored 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.464 2.11 . . . . 0.0 111.94 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -51.32 127.69 23.04 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 122.024 1.816 . . . . 0.0 112.03 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.34 -32.98 61.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.948 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -80.45 -56.08 4.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.098 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.0 m -119.02 77.13 1.16 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.807 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.5 m -58.03 141.47 49.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.377 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.96 176.05 12.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.602 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.83 171.02 36.47 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -72.97 145.2 39.56 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.763 2.309 . . . . 0.0 112.042 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.541 ' CG2' HE21 ' A' ' 34' ' ' GLN . 5.0 t -79.42 150.58 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.566 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.59 -12.27 63.81 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -69.22 -54.71 13.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.876 0.369 . . . . 0.0 110.587 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -170.48 144.9 2.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.415 ' C ' ' H ' ' A' ' 32' ' ' HIS . 86.7 mmm -63.54 -17.09 62.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.615 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -74.19 8.53 2.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.56 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.415 ' H ' ' C ' ' A' ' 30' ' ' MET . 19.6 m80 -148.04 120.81 8.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.571 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -111.98 165.89 11.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.057 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.541 HE21 ' CG2' ' A' ' 26' ' ' VAL . 43.0 mt-30 -146.23 141.66 27.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.609 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.508 ' O ' ' CD1' ' A' ' 51' ' ' PHE . . . -123.75 173.22 8.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.165 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.461 ' HG1' ' C ' ' A' ' 35' ' ' ALA . 7.7 m -144.98 145.48 31.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.049 0.452 . . . . 0.0 110.869 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.9 pt -143.25 153.95 16.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.096 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 6.1 ttt -133.96 139.28 46.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.802 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.631 ' C ' ' H ' ' A' ' 41' ' ' ASN . . . -40.33 104.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 41' ' ' ASN . 50.2 Cg_exo -50.51 1.45 0.03 OUTLIER 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.389 2.059 . . . . 0.0 112.322 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.631 ' H ' ' C ' ' A' ' 39' ' ' GLY . 0.3 OUTLIER 82.78 29.83 0.1 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.907 0.384 . . . . 0.0 110.314 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -137.21 -19.15 1.28 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.392 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.0 m -103.03 146.82 33.13 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.424 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -40.68 -34.78 1.35 Allowed 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 122.565 2.177 . . . . 0.0 112.318 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -71.96 48.83 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -74.06 118.22 16.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.583 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.81 -34.69 4.26 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.5 128.61 45.84 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.8 m -92.15 145.64 7.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.715 0.293 . . . . 0.0 110.603 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -132.36 154.92 49.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.4 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.508 ' CD1' ' O ' ' A' ' 35' ' ' ALA . 0.1 OUTLIER -140.12 146.2 38.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.432 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.99 168.97 18.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.412 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.7 m -127.76 160.9 30.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.678 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.5 mp -137.79 133.6 45.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.415 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -112.08 152.82 27.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.646 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.468 ' N ' ' CD1' ' A' ' 56' ' ' PHE . 19.2 m-85 -120.63 138.03 27.02 Favored Pre-proline 0 CA--C 1.53 0.206 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.332 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.52 ' C ' ' H ' ' A' ' 59' ' ' ASP . 82.3 Cg_endo -77.78 131.89 11.55 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 C-N-CA 122.466 2.111 . . . . 0.0 111.99 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.7 p -55.1 -7.34 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.258 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.52 ' H ' ' C ' ' A' ' 57' ' ' PRO . 8.5 t70 -93.7 22.84 5.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.578 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.479 ' CG ' ' C ' ' A' ' 59' ' ' ASP . 1.2 m-85 72.53 151.94 0.14 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.521 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.5 ' C ' ' H ' ' A' ' 63' ' ' LYS . 4.1 Cg_endo -47.96 -20.46 2.07 Favored 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 122.442 2.095 . . . . 0.0 111.877 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -47.45 -15.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 109.977 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.5 ' H ' ' C ' ' A' ' 61' ' ' PRO . 10.5 mptt -109.91 134.33 20.7 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.886 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -52.33 117.6 3.78 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.007 1.805 . . . . 0.0 111.909 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -77.78 172.02 16.39 Favored 'Trans proline' 0 N--CA 1.491 1.324 0 C-N-CA 122.321 2.014 . . . . 0.0 112.13 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -110.21 128.02 55.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.597 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.5 m -104.51 115.98 47.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.343 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -105.15 161.67 14.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.688 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.98 111.47 13.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.38 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.4 p -64.47 -48.06 76.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.572 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.4 m -85.14 136.41 33.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.0 mtp180 -80.09 114.18 18.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.588 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 15.8 tt -112.12 126.94 69.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.262 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -76.57 96.48 4.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.67 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.459 ' O ' ' O ' ' A' ' 78' ' ' ILE . 1.2 t-80 -153.57 125.4 3.76 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.054 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -43.86 -46.88 10.42 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.482 2.121 . . . . 0.0 113.038 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.527 HD21 ' N ' ' A' ' 78' ' ' ILE . 0.4 OUTLIER -72.89 -7.87 52.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.63 -178.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.527 ' N ' HD21 ' A' ' 77' ' ' ASN . 30.6 mt -129.01 126.3 64.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 120.927 0.394 . . . . 0.0 110.918 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -90.68 166.06 13.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.587 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.4 p -73.84 -22.67 59.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.457 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -72.94 -10.12 59.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.521 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.94 23.38 13.47 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.9 m -86.12 136.77 33.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.788 0.328 . . . . 0.0 110.511 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 15.1 mt -137.44 128.99 40.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.581 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 6.1 p -104.24 113.11 26.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.646 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 41.7 mt -136.16 150.58 49.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.482 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.438 ' C ' ' H ' ' A' ' 89' ' ' LEU . 44.0 t0 -69.04 -52.3 30.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.989 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.408 HG23 ' HZ1' ' A' ' 101' ' ' LYS . 2.6 pp -53.19 -11.96 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.748 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.438 ' H ' ' C ' ' A' ' 87' ' ' ASP . 0.8 OUTLIER -79.03 -36.94 40.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.464 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 71.4 mtm180 -73.16 -164.9 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.792 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.501 ' C ' ' H ' ' A' ' 93' ' ' TRP . 49.5 m -41.75 -27.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.798 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -58.25 -4.02 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.523 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.501 ' H ' ' C ' ' A' ' 91' ' ' SER . 40.4 t-105 -73.14 102.93 3.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.503 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.505 ' C ' ' H ' ' A' ' 96' ' ' ALA . 2.7 m -86.53 118.84 70.88 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.565 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -49.52 -7.71 0.09 OUTLIER 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 122.35 2.034 . . . . 0.0 112.309 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.505 ' H ' ' C ' ' A' ' 94' ' ' SER . . . -114.72 28.95 8.36 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.328 -179.306 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.463 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 3.6 pp -104.03 152.03 22.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.718 0.294 . . . . 0.0 110.314 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.451 ' HG1' ' N ' ' A' ' 99' ' ' ILE . 8.2 t -101.94 157.3 16.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.97 0.414 . . . . 0.0 110.895 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.519 ' N ' ' OE2' ' A' ' 9' ' ' GLU . 1.6 tp -70.52 -22.36 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.719 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.8 m -52.97 -49.95 65.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.255 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.408 ' HZ1' HG23 ' A' ' 88' ' ' ILE . 2.1 pttp -63.72 -36.61 84.41 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.023 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 37.5 t -52.94 -33.84 19.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.655 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.1 mt -67.07 -45.47 77.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.584 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.502 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 3.7 mm? -60.02 -38.0 81.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.424 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.22 -48.31 62.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.351 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 72.4 mt -71.03 -53.99 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.525 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 20.0 t -50.97 -38.76 52.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.582 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.3 m -76.54 -30.13 56.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.57 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.1 tp -61.81 -36.07 80.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.526 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 40.7 mt -70.63 -32.07 69.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.354 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 10.7 t -75.03 -10.42 59.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.588 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 113' ' ' PRO . 40.2 t0 -157.6 72.22 4.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.44 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.426 ' O ' ' O ' ' A' ' 112' ' ' ASP . 78.1 Cg_exo -47.18 -176.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.852 2.368 . . . . 0.0 112.276 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -145.04 76.85 13.41 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.539 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -77.72 67.96 7.78 Favored 'Trans proline' 0 C--N 1.307 -1.606 0 C-N-CA 122.626 2.217 . . . . 0.0 111.975 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.423 ' O ' ' OD1' ' A' ' 117' ' ' ASP . 5.1 m-20 -154.66 -33.13 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.375 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 116' ' ' ASP . 2.5 m-20 -139.02 57.63 11.27 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.419 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -72.19 -175.58 1.8 Allowed 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.733 2.289 . . . . 0.0 112.049 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.3 tp -122.82 3.69 9.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.224 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.5 t -146.4 83.17 8.51 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.438 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -47.1 -24.77 3.66 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.653 2.235 . . . . 0.0 112.355 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -69.95 -52.06 27.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.548 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 83.1 mt -68.06 -41.89 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.499 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.28 -39.98 76.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.571 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 -54.89 -37.1 65.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.491 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.431 ' O ' ' O ' ' A' ' 130' ' ' ASP . 15.6 mm -69.34 -56.05 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.786 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -60.04 -31.51 70.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.205 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 18.0 tptt -50.62 -68.08 0.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.194 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.662 ' HG1' ' N ' ' A' ' 130' ' ' ASP . 8.0 p -107.1 -42.18 4.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.636 0.255 . . . . 0.0 111.254 -179.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.662 ' N ' ' HG1' ' A' ' 129' ' ' THR . 3.0 m-20 -82.98 83.47 7.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.738 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 29.3 mmm-85 -91.36 -46.43 8.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.514 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -57.12 -41.48 79.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.569 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -75.26 -30.25 60.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.615 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -47.99 -46.19 32.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.547 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.449 ' N ' HD21 ' A' ' 135' ' ' ASN . 2.4 m120 -60.74 -37.18 80.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.581 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -53.88 -48.67 69.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.595 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.535 ' N ' ' CD1' ' A' ' 137' ' ' ILE . 1.5 mp -69.12 -30.8 47.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.307 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.7 m -72.19 -62.96 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.995 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -25.76 31.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.806 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -72.35 -50.16 28.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.288 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' TRP . . . . . 0.438 ' O ' ' N ' ' A' ' 145' ' ' TYR . 11.4 m95 -68.62 -16.18 63.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.653 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 25.7 m -65.57 -39.23 91.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.9 0.381 . . . . 0.0 110.844 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -76.5 -31.89 57.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.18 -0.464 . . . . 0.0 112.088 -179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.41 ' H ' ' HG2' ' A' ' 144' ' ' LYS . 26.8 pttt -101.27 -18.76 15.96 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 141' ' ' TRP . 41.6 m-85 -128.6 19.43 6.21 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.87 -179.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -158.85 22.6 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.016 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 17.1 mmt . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.368 179.625 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.4 ttm . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -160.18 138.11 9.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.37 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.527 ' CD1' ' N ' ' B' ' 3' ' ' ILE . 0.1 OUTLIER -147.57 166.72 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.658 179.802 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -93.9 146.79 23.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 98.8 t -123.3 102.86 12.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.334 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -83.23 142.33 31.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.504 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.4 m -121.34 160.23 24.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.416 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 tp -65.55 -23.22 66.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.55 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 34.3 p -79.72 1.94 24.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.578 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.62 3.38 86.32 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 25.7 tptt -75.66 135.39 40.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.937 0.399 . . . . 0.0 110.546 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 5.2 m -134.05 107.83 7.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.859 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 13.0 tt -131.53 144.41 37.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.748 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.498 ' O ' ' NZ ' ' B' ' 33' ' ' LYS . 43.1 p -75.69 146.27 40.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.439 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.421 HD13 ' N ' ' B' ' 16' ' ' GLU . 0.6 OUTLIER -122.15 124.72 44.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.057 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.421 ' N ' HD13 ' B' ' 15' ' ' LEU . 48.6 mt-10 -84.51 125.63 32.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.845 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.537 ' CG2' ' H ' ' B' ' 18' ' ' GLU . 13.6 p -149.5 174.43 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.808 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.537 ' H ' ' CG2' ' B' ' 17' ' ' VAL . 36.8 mt-10 -131.93 142.77 46.36 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.252 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -45.15 -34.24 9.26 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 122.483 2.122 . . . . 0.0 112.726 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 15.5 p -84.76 7.07 21.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.047 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -82.83 137.88 34.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.529 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 4.0 m -94.14 140.77 29.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.45 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.1 mm -42.54 -50.17 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.637 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -48.66 -37.5 18.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.808 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -79.54 -42.39 25.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.7 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 38.4 t -53.07 -43.81 49.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.562 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.815 ' N ' ' HZ1' ' B' ' 27' ' ' LYS . 0.1 OUTLIER -61.22 -31.53 71.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.888 0.375 . . . . 0.0 110.136 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.48 -27.92 69.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.03 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -54.55 13.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.447 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 84.1 mt -56.86 -41.8 76.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.593 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.539 ' O ' ' N ' ' B' ' 35' ' ' GLY . 32.4 mt-30 -50.88 -50.79 56.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.628 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -75.55 -28.95 59.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.06 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.498 ' NZ ' ' O ' ' B' ' 14' ' ' THR . 21.1 tttt -72.64 -16.72 61.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.209 -179.136 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -129.09 -37.18 1.7 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.749 0.309 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . 100.97 15.02 29.71 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 34.1 mt -95.49 112.35 58.54 Favored Pre-proline 0 C--N 1.329 -0.293 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -51.47 154.0 9.43 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.051 1.834 . . . . 0.0 112.169 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -73.43 -7.84 20.92 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.907 2.405 . . . . 0.0 112.412 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.419 ' O ' ' OD1' ' B' ' 39' ' ' ASP . 56.8 t0 -60.35 -16.4 34.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.571 -179.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -130.21 -29.03 2.07 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.647 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -70.92 124.72 24.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.068 0.461 . . . . 0.0 111.433 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.404 ' HB3' HH11 ' B' ' 42' ' ' ARG . 5.8 ptm85 -145.15 123.76 12.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.458 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 tp -86.01 149.05 25.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.167 0.508 . . . . 0.0 111.396 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 16.4 mt -141.57 136.74 31.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.253 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -112.64 120.86 42.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.388 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.43 29.43 15.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.417 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.1 -19.84 36.5 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -87.96 128.68 35.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.796 0.331 . . . . 0.0 110.623 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -60.51 137.89 58.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.55 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.3 mt -82.09 125.67 31.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.544 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -53.13 117.2 2.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.307 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -58.4 -39.46 79.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.904 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.55 59.35 2.57 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.452 -0.659 . . . . 0.0 111.452 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 8.2 mmt85 -148.15 164.09 34.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.788 0.328 . . . . 0.0 110.32 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 22.3 p -116.12 152.02 34.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.44 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' B' ' 60' ' ' ASN . 3.9 mm? -57.03 -32.41 66.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.403 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 7.4 t -53.88 -30.61 46.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.367 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -84.9 -43.07 14.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.427 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -75.88 -12.55 60.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.19 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' B' ' 56' ' ' LEU . 7.8 t-20 70.35 -81.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.72 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.437 ' C ' ' O ' ' B' ' 60' ' ' ASN . 68.4 mt 35.05 87.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.694 0.283 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -68.94 176.46 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.697 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -58.01 158.4 6.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.546 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 65.04 47.47 2.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.666 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.0 m -104.98 149.29 25.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.541 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.9 m -107.4 108.97 20.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.611 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 10.8 mt -105.5 150.28 25.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.36 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -95.97 141.97 28.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.921 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.417 ' C ' ' CD2' ' B' ' 69' ' ' LEU . 2.4 tt -129.46 111.71 13.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.223 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -119.43 138.35 50.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.397 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.489 ' CD1' ' N ' ' B' ' 71' ' ' LEU . 7.8 mp -97.07 121.92 39.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.582 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -87.04 85.9 7.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.259 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.461 ' H ' HD11 ' B' ' 73' ' ' LEU . 3.8 mp . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.72 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 mt -51.84 -47.94 64.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.7 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.607 ' H ' ' CD ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -59.46 -36.23 75.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.744 -179.778 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 74.4 mtt-85 -75.4 -50.62 15.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.841 0.353 . . . . 0.0 110.433 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 78.6 mt -52.88 -38.98 29.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.572 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -60.92 -25.43 66.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.75 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -64.0 -49.88 70.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.589 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -57.53 -42.09 82.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.527 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -31.55 67.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.348 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.2 m -59.88 -26.98 66.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.455 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -73.49 -48.73 31.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.536 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.4 mt -70.59 -25.15 62.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.471 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.41 -16.88 60.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.512 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -93.92 -51.35 4.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.424 ' OD2' ' O ' ' A' ' 16' ' ' ASP . 4.3 p-10 -167.63 90.33 0.7 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.818 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -54.1 158.95 8.33 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 122.557 2.172 . . . . 0.0 111.876 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' A' ' 21' ' ' CYS . 54.6 Cg_endo -71.11 137.87 32.43 Favored 'Trans proline' 0 C--N 1.309 -1.528 0 C-N-CA 122.585 2.19 . . . . 0.0 112.002 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.04 -44.0 50.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.683 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -57.56 -54.51 45.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.674 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.433 ' O ' ' O ' ' A' ' 18' ' ' PRO . 10.8 p -113.64 -166.13 1.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.615 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.8 m -157.32 155.71 31.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.491 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.81 161.87 6.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.803 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.49 135.07 1.87 Allowed Glycine 0 CA--C 1.531 1.077 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.68 147.81 31.94 Favored 'Trans proline' 0 N--CA 1.492 1.421 0 C-N-CA 122.33 2.02 . . . . 0.0 112.153 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.2 m -92.01 133.73 32.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.37 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.502 ' C ' ' H ' ' A' ' 29' ' ' ASP . . . -57.04 -178.38 0.49 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.432 ' N ' ' OD1' ' A' ' 28' ' ' ASP . 0.6 OUTLIER 69.35 -10.44 0.55 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.694 0.283 . . . . 0.0 110.798 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.502 ' H ' ' C ' ' A' ' 27' ' ' GLY . 8.6 t70 -172.7 116.28 0.31 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.843 0.354 . . . . 0.0 110.853 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.95 -7.37 58.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.402 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.453 ' N ' ' OD1' ' A' ' 29' ' ' ASP . 6.3 m-85 -89.39 24.48 2.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.49 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.442 ' ND1' ' OD1' ' A' ' 29' ' ' ASP . 32.0 m80 -144.25 120.88 11.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.408 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -120.86 163.15 18.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.508 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 -132.76 174.2 10.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.475 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -162.78 124.04 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.531 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.9 m -113.33 124.91 53.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.478 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 67.3 mt -130.52 157.19 42.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.499 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.499 ' O ' ' SD ' ' A' ' 38' ' ' MET . 3.5 ppp? -133.52 130.3 38.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.434 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.593 ' O ' ' O ' ' A' ' 40' ' ' PRO . . . -48.26 128.34 17.97 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.593 ' O ' ' O ' ' A' ' 39' ' ' GLY . 89.9 Cg_exo -40.59 -116.73 0.0 OUTLIER 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 122.852 2.368 . . . . 0.0 112.896 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.4 ' C ' ' H ' ' A' ' 43' ' ' SER . 19.8 t-20 -128.61 -60.3 1.11 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.65 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -81.5 28.74 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.657 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.4 ' H ' ' C ' ' A' ' 41' ' ' ASN . 0.3 OUTLIER -96.53 155.11 38.24 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.352 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.479 ' C ' ' H ' ' A' ' 46' ' ' GLN . 55.8 Cg_endo -71.22 -53.96 0.17 Allowed 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 122.521 2.147 . . . . 0.0 111.977 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -77.32 22.4 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.418 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.514 ' C ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -64.92 150.89 47.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.505 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.497 ' O ' ' SD ' ' A' ' 147' ' ' MET . . . 83.36 21.26 58.84 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -136.99 161.64 25.16 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -108.02 152.67 9.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.767 0.318 . . . . 0.0 110.502 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -118.48 168.89 10.24 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.64 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -140.07 149.39 43.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.394 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.9 mt -147.71 163.0 38.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.406 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.14 106.73 3.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.333 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.1 mp -101.47 106.57 19.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -80.04 154.88 27.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.637 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.603 ' CE2' ' CE2' ' A' ' 60' ' ' TYR . 19.6 m-85 -122.71 105.74 35.26 Favored Pre-proline 0 CA--C 1.531 0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.598 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -75.29 157.02 41.75 Favored 'Trans proline' 0 C--N 1.313 -1.316 0 C-N-CA 122.074 1.849 . . . . 0.0 111.855 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -48.97 -28.58 3.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.94 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -101.47 23.29 11.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.084 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.603 ' CE2' ' CE2' ' A' ' 56' ' ' PHE . 18.4 t80 -44.3 -53.15 14.74 Favored Pre-proline 0 C--N 1.328 -0.362 0 C-N-CA 120.979 -0.289 . . . . 0.0 111.246 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 60' ' ' TYR . 11.2 Cg_endo -54.13 -13.67 5.19 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 122.28 1.987 . . . . 0.0 112.708 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -119.11 -49.5 2.4 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 121.031 -0.268 . . . . 0.0 111.093 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.491 ' CB ' ' NZ ' ' A' ' 63' ' ' LYS . 7.9 mtmp? -97.77 148.08 33.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.83 159.44 52.8 Favored 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 122.43 2.087 . . . . 0.0 111.869 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.91 171.64 17.77 Favored 'Trans proline' 0 C--N 1.308 -1.595 0 C-N-CA 122.701 2.267 . . . . 0.0 112.058 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -108.93 86.14 2.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.147 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.0 p -81.15 148.1 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.76 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -153.7 120.75 5.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.535 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.528 ' O ' ' NH2' ' A' ' 72' ' ' ARG . 0.2 OUTLIER -74.51 108.85 7.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.358 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.6 p -62.13 -31.52 72.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.48 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.3 p -89.7 124.85 34.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.555 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.528 ' NH2' ' O ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -72.78 88.93 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.259 179.842 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 16.2 tt -97.95 144.65 10.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.455 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -98.92 101.98 13.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.531 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.521 ' CD2' ' OH ' ' A' ' 134' ' ' TYR . 1.1 t-80 -146.69 132.42 9.34 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.132 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -43.11 -52.11 5.08 Favored 'Trans proline' 0 C--N 1.312 -1.372 0 C-N-CA 122.449 2.099 . . . . 0.0 112.618 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' A' ' 85' ' ' CYS . 8.0 t-20 -76.09 -0.61 22.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.361 -179.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.42 ' O ' ' O ' ' A' ' 75' ' ' HIS . 5.3 mm -126.04 166.11 22.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.805 0.336 . . . . 0.0 110.369 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 54.0 p30 -144.55 -176.27 4.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.563 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.6 m -85.08 -18.26 34.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.676 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.678 ' N ' HD21 ' A' ' 81' ' ' ASN . 0.6 OUTLIER -73.16 -15.71 61.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.591 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.05 11.1 68.0 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t -86.98 109.47 19.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.73 0.3 . . . . 0.0 110.596 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.2 mp -98.07 133.76 38.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.538 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.427 ' O ' ' OD1' ' A' ' 77' ' ' ASN . 11.7 t -107.87 117.02 33.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.606 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 mt -145.29 162.74 36.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.219 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -64.0 -52.08 61.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.423 ' CG2' ' NZ ' ' A' ' 101' ' ' LYS . 2.7 pp -62.97 -11.7 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.76 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.403 ' CD1' ' O ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -93.11 24.6 3.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.991 0.424 . . . . 0.0 109.881 179.5 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' A' ' 92' ' ' GLN . 24.3 mtp85 -135.7 -159.97 1.01 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.393 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.58 ' C ' ' H ' ' A' ' 93' ' ' TRP . 8.3 t -38.07 -24.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.825 0.345 . . . . 0.0 110.942 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.535 ' N ' ' O ' ' A' ' 90' ' ' ARG . 33.9 mt-30 -71.93 29.03 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.48 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.58 ' H ' ' C ' ' A' ' 91' ' ' SER . 72.8 t-105 -92.81 110.26 21.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.58 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.55 ' O ' ' N ' ' A' ' 96' ' ' ALA . 1.2 m -94.88 121.51 62.53 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.458 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -45.7 -9.39 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 122.151 1.901 . . . . 0.0 112.3 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -143.4 65.76 1.32 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.995 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.6 pp -104.08 152.06 22.53 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.475 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.55 ' O ' ' N ' ' A' ' 100' ' ' SER . 12.8 p -82.61 93.85 7.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.072 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 18.5 tt -38.53 -23.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.55 ' N ' ' O ' ' A' ' 98' ' ' THR . 40.7 t -53.34 -36.27 61.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.651 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.423 ' NZ ' ' CG2' ' A' ' 88' ' ' ILE . 3.9 ptmm? -72.07 -35.84 69.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.721 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 88.4 t -57.91 -50.23 78.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.479 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.522 ' N ' ' CD1' ' A' ' 103' ' ' LEU . 6.8 mp -66.81 -46.1 76.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.387 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.56 -40.32 91.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.414 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.6 m -50.19 -39.96 45.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.536 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 71.5 mt -60.19 -48.21 89.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.427 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 95.3 m -52.88 -37.24 60.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.541 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.1 t -73.56 -28.06 61.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.559 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 112' ' ' ASP . 6.3 tt -76.74 -43.41 37.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.489 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 96.1 mt -54.31 -45.86 72.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.496 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 10.1 t -82.9 5.06 23.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.582 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 109' ' ' LEU . 33.5 t0 -158.12 104.3 1.72 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.479 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -78.88 -174.17 2.17 Favored 'Trans proline' 0 C--N 1.313 -1.321 0 C-N-CA 122.289 1.993 . . . . 0.0 112.139 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -156.19 106.96 2.07 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.501 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.453 ' O ' ' CB ' ' A' ' 116' ' ' ASP . 72.4 Cg_endo -79.53 -158.0 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.346 0 C-N-CA 122.304 2.003 . . . . 0.0 111.984 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 115' ' ' PRO . 7.9 t70 81.11 73.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.992 0.425 . . . . 0.0 110.462 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 41.37 68.12 2.69 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_exo -62.92 -149.44 0.02 OUTLIER 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.743 2.296 . . . . 0.0 111.825 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.97 -27.37 28.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.069 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.0 m -130.99 77.76 74.65 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.475 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -46.3 -17.75 0.37 Allowed 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.737 2.291 . . . . 0.0 112.347 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -61.85 -49.16 77.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.624 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 18.6 mt -73.51 -29.07 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.543 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.03 -45.93 82.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.712 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -54.96 -42.05 71.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.646 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 24.6 mt -70.81 -47.57 62.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.478 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -64.8 -31.18 72.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -50.51 -68.07 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.024 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.512 ' HG1' ' N ' ' A' ' 130' ' ' ASP . 1.8 p -112.47 -42.16 3.72 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.647 0.261 . . . . 0.0 111.171 -179.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.512 ' N ' ' HG1' ' A' ' 129' ' ' THR . 14.9 t0 -79.59 61.2 3.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.717 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -73.59 -20.67 60.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.578 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.5 -34.0 77.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.543 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 20.8 ttmt -76.25 -50.78 13.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.49 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.521 ' OH ' ' CD2' ' A' ' 75' ' ' HIS . 71.8 t80 -47.66 -27.37 1.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.699 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.04 -46.29 65.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.791 -179.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.491 ' HG3' ' N ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -71.49 -33.56 69.37 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.135 -179.242 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.491 ' N ' ' HG3' ' A' ' 136' ' ' ARG . 11.0 mt -67.2 -30.83 50.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.868 0.366 . . . . 0.0 110.653 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 7.4 t -68.82 -55.02 12.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.315 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 5.4 ptt-85 -68.09 -24.87 65.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.2 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -68.19 -50.08 56.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.977 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -71.74 1.15 7.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.988 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 146' ' ' ALA . 33.8 m -76.49 -60.51 2.31 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.161 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.416 ' O ' ' O ' ' A' ' 147' ' ' MET . 17.6 tt0 -65.8 -31.52 72.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.061 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 22.9 tttp -52.09 -48.04 64.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.339 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -133.28 -33.28 1.13 Allowed 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 142' ' ' THR . . . -67.55 -24.68 65.56 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.907 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' MET . . . . . 0.497 ' SD ' ' O ' ' A' ' 47' ' ' GLY . 69.8 mtm . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.41 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 46.3 ttp . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -98.25 142.09 30.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.446 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.7 pt -140.15 145.08 26.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.427 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -93.32 121.82 35.09 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.526 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -98.94 106.1 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.521 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -87.25 128.3 35.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.484 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 43.5 p -92.89 -175.88 4.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.81 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 tp -75.97 5.09 7.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.575 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 18.1 p -123.89 9.8 8.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.626 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' B' ' 12' ' ' THR . . . 87.36 -26.35 7.16 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.76 94.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.788 0.327 . . . . 0.0 110.701 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.462 ' N ' ' O ' ' B' ' 10' ' ' GLY . 7.1 t -103.45 128.68 50.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.558 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 11.7 pt -138.54 143.97 31.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.458 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.97 143.22 43.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.424 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.66 138.94 48.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.318 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -95.8 120.19 35.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.558 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 6.9 m -148.16 144.63 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.535 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' B' ' 20' ' ' SER . 54.4 mm-40 -77.82 121.92 84.86 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.328 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -45.25 -12.72 0.06 OUTLIER 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 122.205 1.936 . . . . 0.0 112.318 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.506 ' N ' ' O ' ' B' ' 18' ' ' GLU . 15.9 p -103.09 -17.33 15.45 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.109 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' B' ' 18' ' ' GLU . 0.8 OUTLIER -65.83 129.93 41.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 0.0 110.169 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.4 p -76.12 145.27 40.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.525 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 9.7 mt -46.74 -33.94 2.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.076 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.408 ' O ' ' OE2' ' B' ' 24' ' ' GLU . 1.8 tm-20 -48.63 -34.97 12.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 110.572 -179.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.0 -29.91 24.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.541 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 89.7 t -59.47 -47.35 91.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.616 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.422 ' CB ' ' HZ2' ' B' ' 27' ' ' LYS . 0.3 OUTLIER -51.11 -33.27 25.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.422 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.77 -33.02 58.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.411 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -74.3 -52.94 10.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.53 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 16.3 tt -59.47 -31.83 47.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.132 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' B' ' 35' ' ' GLY . 4.3 tm0? -58.04 -54.14 50.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.53 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.411 ' OD2' ' OE1' ' B' ' 31' ' ' GLN . 9.2 m-20 -67.76 -28.95 68.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.76 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -66.06 0.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.974 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -81.26 -37.19 28.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.881 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . 113.6 -21.46 16.63 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.528 ' CD1' ' NE2' ' B' ' 41' ' ' GLN . 0.6 OUTLIER -61.91 143.7 94.29 Favored Pre-proline 0 C--N 1.33 -0.268 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.087 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -70.75 161.71 45.13 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.294 1.996 . . . . 0.0 112.055 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -62.69 -42.03 27.98 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.485 2.123 . . . . 0.0 112.277 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -54.89 -32.77 61.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.259 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -90.69 -1.89 57.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.064 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.528 ' NE2' ' CD1' ' B' ' 36' ' ' ILE . 73.6 mm-40 -94.39 126.0 39.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.941 0.4 . . . . 0.0 111.01 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 50.6 ttt85 -144.62 99.67 3.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.758 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.402 HD11 ' H ' ' B' ' 43' ' ' LEU . 1.3 mp -85.94 131.74 34.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.377 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.419 HG23 HD13 ' B' ' 44' ' ' ILE . 48.3 mm -124.26 157.87 31.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.063 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.441 ' O ' ' N ' ' B' ' 48' ' ' LYS . 28.0 t80 -160.05 130.5 5.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.846 0.355 . . . . 0.0 110.76 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 45.77 29.13 0.65 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.754 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.46 28.13 70.15 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' B' ' 45' ' ' PHE . 29.8 tttp -122.29 116.97 25.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.77 0.319 . . . . 0.0 110.42 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -59.34 119.74 8.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.538 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 6.7 mp -66.12 85.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -48.06 127.55 12.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.644 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -55.01 -30.99 60.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.086 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.64 41.96 2.6 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.366 -0.693 . . . . 0.0 111.366 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -146.87 163.84 34.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.845 0.355 . . . . 0.0 110.405 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.508 ' O ' ' CE2' ' B' ' 59' ' ' TYR . 3.2 p -99.8 177.07 5.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.135 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.513 ' N ' ' CD1' ' B' ' 56' ' ' LEU . 8.2 mp -80.05 -49.26 12.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.828 0.347 . . . . 0.0 110.532 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 29.4 t -53.92 -28.37 36.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.743 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -50.57 -44.98 56.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.268 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.508 ' CE2' ' O ' ' B' ' 55' ' ' THR . 0.7 OUTLIER -86.68 -41.54 14.11 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.847 -179.625 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . 0.474 ' CG ' ' N ' ' B' ' 61' ' ' ILE . 5.4 t-20 172.23 -95.75 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.365 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.474 ' N ' ' CG ' ' B' ' 60' ' ' ASN . 5.1 mp 39.29 87.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.628 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . 0.418 ' O ' ' O ' ' B' ' 63' ' ' LYS . 6.2 pt20 -102.37 62.51 0.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.574 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' B' ' 62' ' ' GLN . 16.7 ttpt 60.28 137.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.713 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 50.78 48.81 22.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.525 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.0 t -103.37 158.42 16.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.551 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.2 m -97.82 139.92 32.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.522 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 4.8 mp -131.93 146.48 52.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.512 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -93.18 144.44 25.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.7 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 tp -125.69 110.06 13.32 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.389 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 5.0 t -103.92 119.35 52.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.36 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.6 mp -84.6 125.72 32.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.789 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.431 ' CB ' HH11 ' B' ' 72' ' ' ARG . 0.0 OUTLIER -81.31 128.58 33.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.174 179.576 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 12.4 mt . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.732 -179.778 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 39.4 mt -61.84 -19.91 63.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.614 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.418 ' HD2' ' H ' ' A' ' 4' ' ' LYS . 1.5 mptp? -70.6 -49.53 46.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.61 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.98 -44.59 47.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.64 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 84.0 mt -53.18 -42.72 47.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.575 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 7' ' ' ASN . 57.1 t-20 -67.92 -19.89 65.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.577 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -60.98 -47.03 88.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.556 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -65.33 -43.06 92.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.555 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 tp -49.96 -28.09 6.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.381 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.7 t -60.11 -49.13 78.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.447 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -71.01 -22.06 62.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.496 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 tp -77.13 -29.11 54.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.642 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.86 -18.47 32.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.729 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.26 -54.27 2.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.589 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -135.18 82.87 40.51 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.812 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -80.34 164.38 21.67 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.487 2.124 . . . . 0.0 111.867 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -51.41 127.98 24.15 Favored 'Trans proline' 0 C--N 1.31 -1.474 0 C-N-CA 122.372 2.048 . . . . 0.0 111.99 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.06 -43.92 50.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.608 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -77.21 -56.1 4.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.623 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.0 m -93.99 -155.91 0.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.711 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.0 m -170.45 167.26 8.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.487 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -157.33 175.99 13.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.597 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.25 119.83 0.51 Allowed Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.671 -0.971 . . . . 0.0 110.671 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -44.77 142.65 4.86 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 122.163 1.909 . . . . 0.0 112.097 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.447 ' C ' ' H ' ' A' ' 28' ' ' ASP . 21.2 t -77.23 143.16 13.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.552 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.69 -13.03 0.74 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.447 ' H ' ' C ' ' A' ' 26' ' ' VAL . 13.7 t70 -71.13 -63.22 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 110.379 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -170.16 176.79 4.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.399 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.429 ' O ' ' CD1' ' A' ' 33' ' ' TRP . 11.9 mtp -75.97 -18.7 59.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.71 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -63.71 -44.47 93.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.293 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.401 ' NE2' ' CD2' ' A' ' 55' ' ' HIS . 69.3 m80 -99.0 121.14 40.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.337 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.429 ' CD1' ' O ' ' A' ' 30' ' ' MET . 7.3 m95 -111.51 171.33 7.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.967 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -131.86 175.04 9.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.525 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -157.54 161.02 38.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.568 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.2 m -146.08 123.91 11.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.473 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 95.1 mt -135.33 142.46 39.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.729 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.3 ttt -103.17 145.19 30.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.147 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.56 143.61 46.39 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.31 -168.96 0.42 Allowed 'Trans proline' 0 N--CA 1.493 1.474 0 C-N-CA 122.494 2.13 . . . . 0.0 112.047 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -96.69 32.68 2.01 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.551 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.509 ' C ' ' HG ' ' A' ' 43' ' ' SER . 34.7 m-20 -155.19 43.7 0.47 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.616 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.509 ' HG ' ' C ' ' A' ' 42' ' ' ASP . 4.5 m -157.09 126.86 3.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.32 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.523 ' C ' ' H ' ' A' ' 46' ' ' GLN . 85.7 Cg_exo -41.44 -36.39 2.82 Favored 'Trans proline' 0 N--CA 1.491 1.328 0 C-N-CA 122.284 1.989 . . . . 0.0 112.329 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.433 ' OH ' ' OG ' ' A' ' 138' ' ' SER . 50.0 m-85 -60.63 -0.43 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.742 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.523 ' H ' ' C ' ' A' ' 44' ' ' PRO . 10.2 tt0 -46.11 131.62 9.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.455 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.03 40.4 7.56 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -147.03 172.22 27.55 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.8 t -129.51 138.44 54.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.799 0.333 . . . . 0.0 110.477 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -104.72 159.23 15.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.711 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.427 ' O ' ' OG1' ' A' ' 70' ' ' THR . 64.3 m-85 -140.09 131.62 27.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.17 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 mp -137.36 148.14 46.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.74 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.8 m -112.87 141.63 46.46 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.254 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.9 mp -118.9 119.48 61.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.624 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.401 ' CD2' ' NE2' ' A' ' 32' ' ' HIS . 12.1 t-80 -104.58 121.5 43.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.447 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -95.9 150.05 36.81 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.393 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -59.23 145.37 98.0 Favored 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 122.034 1.823 . . . . 0.0 111.282 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.3 p -81.12 9.13 7.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.114 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.651 ' O ' ' CG ' ' A' ' 60' ' ' TYR . 23.5 m-20 -117.76 -13.84 10.15 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.437 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.651 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 2.2 m-85 152.52 157.94 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.626 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.62 7.53 3.45 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.543 2.162 . . . . 0.0 113.232 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -87.87 -25.98 23.0 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.319 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -73.94 145.31 83.66 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.246 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -52.45 119.46 5.92 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.196 1.931 . . . . 0.0 112.087 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -79.12 172.07 15.37 Favored 'Trans proline' 0 N--CA 1.491 1.33 0 C-N-CA 122.377 2.051 . . . . 0.0 112.022 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -125.78 96.7 4.86 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.725 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.1 t -91.24 148.1 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.493 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -146.76 145.44 29.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.514 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -86.05 114.86 23.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.386 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 51' ' ' PHE . 40.6 p -74.68 -48.1 27.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.822 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.8 m -70.39 157.43 37.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.572 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -82.27 93.09 7.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.454 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.1 tp -103.18 152.72 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.335 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -135.61 78.49 1.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.47 ' O ' ' O ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -124.17 147.03 53.33 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.317 -179.834 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -44.24 -63.67 0.31 Allowed 'Trans proline' 0 C--N 1.311 -1.408 0 C-N-CA 122.471 2.114 . . . . 0.0 112.692 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -77.69 8.95 3.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.583 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.47 ' O ' ' O ' ' A' ' 75' ' ' HIS . 6.4 mm -132.75 115.88 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 120.944 0.402 . . . . 0.0 110.555 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.734 HD21 ' H ' ' A' ' 81' ' ' ASN . 0.2 OUTLIER -90.57 148.74 22.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.478 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.693 ' N ' HD21 ' A' ' 79' ' ' ASN . 4.1 m -76.71 -1.52 28.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.579 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.734 ' H ' HD21 ' A' ' 79' ' ' ASN . 0.5 OUTLIER -86.94 -7.79 57.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.653 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.55 -2.84 42.57 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.7 m -77.36 94.23 4.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.821 0.343 . . . . 0.0 110.598 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.411 HG22 HD12 ' A' ' 84' ' ' ILE . 55.7 mt -99.87 108.44 22.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.503 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 11.9 t -70.11 117.27 11.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.753 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.1 mt -145.7 145.51 30.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.507 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -69.14 -52.02 32.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.954 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.425 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.1 OUTLIER -52.71 -21.09 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.719 -179.631 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.57 24.9 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.896 0.379 . . . . 0.0 110.306 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 61.5 mtt-85 -139.25 -103.01 0.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.483 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.541 ' C ' ' H ' ' A' ' 93' ' ' TRP . 10.2 t -98.06 -28.02 13.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.862 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -73.35 29.03 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.65 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.541 ' H ' ' C ' ' A' ' 91' ' ' SER . 70.3 t-105 -95.24 154.95 16.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.632 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.7 m -165.46 142.03 4.57 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.493 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -74.19 -0.09 9.15 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.38 2.053 . . . . 0.0 112.179 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -98.65 -43.67 6.73 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.985 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.9 pp -43.98 151.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.661 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 t -98.84 149.45 22.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.1 tp -52.9 -27.73 12.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.0 m -63.4 -37.27 86.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.034 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -57.77 -51.1 70.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.173 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.9 p -69.22 -33.95 60.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.91 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.69 -50.02 75.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.567 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.494 ' O ' ' SG ' ' A' ' 107' ' ' CYS . 4.1 mm? -68.05 -30.23 69.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.555 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 49.8 m -56.74 -33.48 66.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.627 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 85.0 mt -70.99 -56.07 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.551 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 104' ' ' LEU . 15.1 p -54.4 -28.02 40.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.647 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 25.7 m -70.39 -46.27 64.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.54 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.54 -46.71 83.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.276 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.95 -35.52 6.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.34 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 15.8 t -73.05 -54.85 7.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.704 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -99.95 107.59 47.46 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.524 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -79.5 -162.97 0.2 Allowed 'Trans proline' 0 C--N 1.313 -1.336 0 C-N-CA 122.331 2.021 . . . . 0.0 112.084 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -155.25 74.2 5.47 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.668 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -79.56 74.69 5.43 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.766 2.311 . . . . 0.0 112.006 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -163.78 -58.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.585 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -146.64 58.21 4.26 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.46 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -72.46 -163.83 0.16 Allowed 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.741 2.294 . . . . 0.0 112.112 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.44 -37.87 17.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.562 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 4.0 t -119.56 83.4 27.44 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.748 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo -53.57 -22.34 21.74 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.739 2.293 . . . . 0.0 112.282 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -61.92 -51.96 66.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.582 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 36.0 mt -72.17 -26.41 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.495 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.02 -41.96 85.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.716 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -55.11 -42.09 72.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.725 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 130' ' ' ASP . 36.1 mt -59.14 -56.18 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.549 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -57.5 -31.21 65.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.604 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -50.46 -45.33 56.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.442 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 34.9 p -136.02 -42.18 0.66 Allowed 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.296 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 126' ' ' ILE . 37.1 m-20 -75.72 93.02 3.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.834 0.35 . . . . 0.0 110.564 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.8 tpp85 -97.86 -29.97 13.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.596 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.538 ' O ' ' ND2' ' A' ' 135' ' ' ASN . 10.0 t70 -70.54 -36.75 73.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.668 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -81.79 -37.49 27.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.517 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 134' ' ' TYR . 32.6 t80 -52.05 -30.93 27.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 132' ' ' ASP . 18.6 p30 -83.05 -31.18 27.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.007 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.52 ' N ' ' OD1' ' A' ' 135' ' ' ASN . 16.9 ttm-85 -63.08 -50.06 72.05 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.653 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.531 ' N ' ' CD1' ' A' ' 137' ' ' ILE . 1.3 mp -63.53 -53.36 46.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' SER . . . . . 0.433 ' OG ' ' OH ' ' A' ' 45' ' ' TYR . 36.0 m -53.4 -53.57 49.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.384 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -55.23 -24.98 30.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.447 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -73.48 -50.04 23.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.758 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -78.25 1.14 22.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.826 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' A' ' 138' ' ' SER . 28.8 m -76.47 -60.38 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.2 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -76.19 -31.85 58.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.11 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.22 -54.66 15.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.312 -179.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . 0.56 ' C ' ' H ' ' A' ' 147' ' ' MET . 83.3 m-85 -132.46 -33.06 1.28 Allowed 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.699 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.21 37.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.865 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' MET . . . . . 0.56 ' H ' ' C ' ' A' ' 145' ' ' TYR . 32.3 mtt . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.276 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 30.2 ttp . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -130.94 147.77 52.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.498 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.6 pt -143.53 158.5 16.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.47 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -94.02 139.94 30.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.532 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 16.6 t -132.99 102.77 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.327 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -98.33 127.93 44.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.654 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.9 m -92.8 156.25 17.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.458 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.2 tp -55.94 -21.95 23.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.422 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 19.4 p -70.52 -10.35 59.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.557 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.72 -16.82 59.83 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -64.4 151.08 45.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.791 0.329 . . . . 0.0 110.562 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.3 m -137.0 133.25 35.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.511 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 17.6 pt -151.02 147.01 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.57 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 17.2 p -85.52 148.1 26.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.556 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.0 139.16 54.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.478 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -88.26 115.24 25.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.516 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 9.8 m -146.86 -177.68 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.488 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' B' ' 21' ' ' ASP . 14.0 mp0 -141.38 131.14 12.81 Favored Pre-proline 0 CA--C 1.532 0.251 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.314 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -44.71 -31.18 4.77 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 122.285 1.99 . . . . 0.0 112.503 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.0 m -83.63 -17.2 42.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.078 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' B' ' 18' ' ' GLU . 7.1 t70 -75.14 133.05 41.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.464 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.93 144.92 54.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.389 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.409 HD13 HH22 ' B' ' 54' ' ' ARG . 12.3 mt -60.52 -28.26 42.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.421 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' B' ' 25' ' ' ASN . 8.5 pt-20 -49.73 -39.24 36.58 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.538 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.429 ' N ' ' CG ' ' B' ' 24' ' ' GLU . 13.7 t-20 -75.88 -36.4 59.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.694 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 95.4 t -52.91 -34.0 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -67.02 -28.87 68.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.351 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.55 -36.05 52.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -80.33 -30.99 38.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.468 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 14.5 tt -74.2 -35.77 41.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.046 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -71.29 -38.06 71.81 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.562 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -75.07 -28.83 60.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.705 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -71.01 -49.95 39.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.269 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -95.25 -37.33 11.06 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.122 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.21 28.17 6.59 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -109.66 142.98 26.91 Favored Pre-proline 0 CA--C 1.533 0.311 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.04 132.0 13.66 Favored 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 122.515 2.144 . . . . 0.0 112.276 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -73.68 -11.12 23.98 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.45 2.1 . . . . 0.0 112.089 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -59.8 -23.8 63.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.325 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -130.04 -20.9 3.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.679 0.276 . . . . 0.0 111.027 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.94 82.64 8.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.342 . . . . 0.0 110.603 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 1.9 ptp85 -88.52 139.3 30.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.585 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.53 ' N ' ' CD1' ' B' ' 43' ' ' LEU . 7.8 mp -91.12 142.85 27.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.443 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 82.1 mt -136.0 142.29 39.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.666 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -133.6 125.4 28.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.306 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.38 28.94 17.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.636 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.73 28.1 61.7 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -135.79 129.84 33.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.842 0.353 . . . . 0.0 110.568 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -67.67 146.02 54.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.468 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.9 mt -87.83 159.9 18.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -108.59 139.09 43.85 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.255 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.489 ' N ' ' OD1' ' B' ' 52' ' ' ASP . 0.7 OUTLIER -79.0 -27.14 43.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 -179.576 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.29 -64.89 3.41 Favored Glycine 0 CA--C 1.529 0.914 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.499 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.583 ' NH2' ' O ' ' B' ' 55' ' ' THR . 3.2 ptm180 -76.84 177.11 7.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.103 0.478 . . . . 0.0 111.813 -178.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.713 ' HG1' ' H ' ' B' ' 57' ' ' SER . 0.6 OUTLIER -108.94 164.4 12.44 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.707 -179.777 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 12.5 mt -53.27 -14.95 0.8 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.713 ' H ' ' HG1' ' B' ' 55' ' ' THR . 23.3 t -57.13 -28.86 63.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.484 -179.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.575 ' CB ' ' HE ' ' B' ' 54' ' ' ARG . 3.0 t0 -76.92 -45.33 28.27 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.203 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -72.45 -10.21 59.51 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.244 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 54.29 52.76 11.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.647 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.408 HG23 HD11 ' B' ' 61' ' ' ILE . 71.9 mt -91.22 95.53 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.585 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -54.31 -172.66 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.603 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -81.76 175.86 10.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.645 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.523 ' N ' ' OE1' ' B' ' 64' ' ' GLU . 0.4 OUTLIER 47.77 25.45 0.71 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.488 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 7.3 p -87.22 136.47 32.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.53 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 12.0 p -87.89 140.96 28.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.503 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.11 140.2 53.27 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.319 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -91.84 112.15 23.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.14 121.78 34.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.172 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' B' ' 71' ' ' LEU . 88.6 t -103.98 161.14 4.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.664 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.454 ' N ' ' CG1' ' B' ' 70' ' ' VAL . 14.8 tp -136.0 106.62 6.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.393 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -93.64 105.51 17.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.476 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . 0.405 ' H ' HD13 ' B' ' 73' ' ' LEU . 4.0 mp . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.649 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.419 ' O ' ' OD1' ' A' ' 7' ' ' ASN . 26.6 mt -65.72 -20.22 66.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.57 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.426 ' HD2' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -79.1 -54.76 5.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.684 -179.888 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.679 ' HE ' ' N ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -55.48 -52.73 62.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.597 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 84.9 mt -53.09 -50.37 45.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.633 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' A' ' 3' ' ' LEU . 4.6 m-20 -52.93 -26.17 14.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.627 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -66.58 -44.08 83.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.442 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -61.58 -25.09 67.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.491 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.73 -42.34 61.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.398 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.5 m -63.52 -36.11 82.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.46 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -72.68 -29.2 63.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.558 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 mt -62.34 -49.11 76.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.461 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.06 -40.67 52.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.75 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 -74.96 -11.33 60.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.567 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -170.96 74.15 0.55 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.583 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -62.26 133.6 44.39 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.737 2.291 . . . . 0.0 111.69 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -51.22 132.65 39.74 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 121.895 1.73 . . . . 0.0 111.508 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.12 -52.08 11.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.541 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.599 ' NE2' ' SG ' ' A' ' 107' ' ' CYS . 11.8 tt0 -84.27 6.86 21.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.317 -179.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.508 ' SG ' ' O ' ' A' ' 20' ' ' GLN . 44.3 m -153.95 -162.77 1.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.936 0.398 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.8 p -179.0 108.39 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.26 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.45 175.86 5.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.024 0.44 . . . . 0.0 110.951 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -176.07 136.67 3.37 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.533 -1.027 . . . . 0.0 110.533 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.86 143.28 32.97 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.329 2.02 . . . . 0.0 112.132 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.2 m -130.1 153.97 39.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.488 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.29 155.23 27.81 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -62.11 -24.5 67.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 110.457 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -95.34 157.01 16.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.66 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -90.49 6.79 42.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.389 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -81.24 -33.83 32.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.644 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -90.47 123.43 34.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.684 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -127.02 173.43 9.66 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.882 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -146.56 175.16 10.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.803 0.335 . . . . 0.0 110.522 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -151.39 161.94 41.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.504 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.7 m -141.74 125.23 16.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.505 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 65.7 mt -130.27 139.8 50.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.562 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 19.6 ttm -104.18 152.79 21.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.459 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.533 ' O ' ' O ' ' A' ' 40' ' ' PRO . . . -68.16 124.35 19.54 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.533 ' O ' ' O ' ' A' ' 39' ' ' GLY . 82.4 Cg_exo -40.11 -109.88 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 122.689 2.259 . . . . 0.0 112.688 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.416 ' H ' ' HB2' ' A' ' 40' ' ' PRO . 64.3 m-80 -155.59 -68.15 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.78 0.324 . . . . 0.0 110.509 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -68.35 -6.92 26.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.553 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.448 ' C ' ' H ' ' A' ' 45' ' ' TYR . 4.9 m -81.91 151.17 66.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.414 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.92 38.4 0.31 Allowed 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.555 2.17 . . . . 0.0 112.09 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.448 ' H ' ' C ' ' A' ' 43' ' ' SER . 97.5 m-85 -141.73 27.1 1.86 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.578 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -48.9 116.89 1.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.595 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.8 43.94 26.69 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -107.69 115.72 4.63 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 m -106.8 109.86 29.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.93 0.395 . . . . 0.0 110.506 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.508 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 2.6 m-85 -104.13 160.84 14.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.531 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.428 ' O ' ' OG1' ' A' ' 70' ' ' THR . 12.8 m-85 -140.17 111.92 7.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.753 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.2 pp -114.45 148.77 37.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.122 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -94.92 157.12 16.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.772 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.4 mt -131.61 115.48 28.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.148 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -112.31 127.74 56.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.586 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -108.62 104.79 55.46 Favored Pre-proline 0 CA--C 1.53 0.211 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.737 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -56.66 167.97 2.57 Favored 'Trans proline' 0 N--CA 1.492 1.432 0 C-N-CA 121.98 1.787 . . . . 0.0 111.363 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -40.83 93.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.95 0.405 . . . . 0.0 110.155 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -86.73 23.57 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.231 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.602 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 19.6 t80 -59.46 -37.49 51.87 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.555 -179.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 60' ' ' TYR . 31.7 Cg_exo -57.82 -11.74 10.24 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.022 1.815 . . . . 0.0 112.023 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -123.47 -49.01 1.92 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -91.18 146.34 33.34 Favored Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.11 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -53.32 167.34 0.84 Allowed 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 122.349 2.033 . . . . 0.0 111.873 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -85.01 172.11 8.86 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.837 2.358 . . . . 0.0 112.19 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 42.6 tttm -114.39 82.14 1.66 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.229 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.6 t -81.33 148.07 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.704 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -147.44 125.68 12.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.611 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -86.4 115.81 24.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.284 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 51' ' ' PHE . 26.7 p -79.13 -48.18 14.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.124 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.3 m -64.69 97.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.735 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.3 mtp85 -49.85 113.07 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.407 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 13.2 tt -134.15 128.9 53.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.341 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.08 94.9 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.968 0.413 . . . . 0.0 110.097 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.75 ' CE1' HD22 ' A' ' 77' ' ' ASN . 1.0 OUTLIER -145.37 117.54 5.22 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.972 -179.566 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.558 ' C ' ' H ' ' A' ' 78' ' ' ILE . 81.6 Cg_exo -41.64 -51.46 4.32 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 122.319 2.013 . . . . 0.0 112.716 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.75 HD22 ' CE1' ' A' ' 75' ' ' HIS . 0.2 OUTLIER -63.93 7.07 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.82 -179.868 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.558 ' H ' ' C ' ' A' ' 76' ' ' PRO . 7.1 mt -147.88 129.19 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.922 0.391 . . . . 0.0 110.833 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.527 ' C ' HD21 ' A' ' 79' ' ' ASN . 0.1 OUTLIER -99.94 -164.19 1.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.471 179.885 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 75.1 m -76.67 -7.48 55.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.466 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.454 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 81.0 m-20 -90.31 -16.09 29.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.614 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.407 ' O ' ' CD1' ' A' ' 84' ' ' ILE . . . 91.88 -7.27 79.25 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.454 ' H ' HD22 ' A' ' 79' ' ' ASN . 53.1 m -54.94 118.13 4.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.716 0.293 . . . . 0.0 110.432 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.407 ' CD1' ' O ' ' A' ' 82' ' ' GLY . 3.4 mp -104.76 123.33 58.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.733 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 67.2 m -93.77 113.04 25.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.331 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.1 mt -123.83 175.59 6.81 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.527 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -69.14 -52.31 29.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.428 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.611 ' H ' ' CD1' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -64.09 -31.86 55.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.034 -179.468 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.439 ' H ' HD12 ' A' ' 88' ' ' ILE . 0.9 OUTLIER -73.65 36.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.515 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.51 ' H ' ' C ' ' A' ' 88' ' ' ILE . 74.4 mtt180 -150.61 -120.16 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.546 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.515 ' C ' ' H ' ' A' ' 93' ' ' TRP . 16.1 p -85.89 -29.83 23.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.666 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.421 ' O ' ' CD ' ' A' ' 92' ' ' GLN . 0.0 OUTLIER -75.18 29.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.274 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.515 ' H ' ' C ' ' A' ' 91' ' ' SER . 75.9 t-105 -87.81 155.96 19.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.773 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.504 ' O ' ' CD2' ' A' ' 97' ' ' LEU . 3.3 m -168.73 136.54 1.67 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.218 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -68.82 2.1 3.3 Favored 'Trans proline' 0 C--N 1.31 -1.462 0 C-N-CA 122.035 1.823 . . . . 0.0 112.027 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.05 -36.49 12.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.526 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.504 ' CD2' ' O ' ' A' ' 94' ' ' SER . 2.3 pp -53.8 152.1 5.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.587 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.3 p -107.68 174.0 6.07 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.937 0.399 . . . . 0.0 110.801 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.3 mm -87.42 -20.69 7.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.452 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.2 m -57.82 -48.69 79.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.785 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.595 ' CB ' ' HZ2' ' A' ' 101' ' ' LYS . 0.4 OUTLIER -68.63 -34.73 76.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 -179.782 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 69.0 t -52.5 -33.93 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.485 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.22 -42.43 98.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.156 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 15.2 mt -67.3 -36.05 80.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.37 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.2 m -52.1 -45.99 65.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.514 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 69.9 mt -68.03 -42.77 85.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.421 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.599 ' SG ' ' NE2' ' A' ' 20' ' ' GLN . 6.4 t -59.88 -50.44 73.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.391 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.0 t -51.92 -45.71 64.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.464 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -52.02 61.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.156 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.5 tp -54.14 -26.03 25.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.463 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 9.5 t -68.92 -43.05 75.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.521 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -146.28 129.69 8.28 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.335 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -76.4 -163.65 0.21 Allowed 'Trans proline' 0 N--CA 1.492 1.422 0 C-N-CA 122.286 1.991 . . . . 0.0 112.124 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.571 ' O ' ' O ' ' A' ' 115' ' ' PRO . 13.5 t-20 -161.78 118.53 1.34 Allowed Pre-proline 0 CA--C 1.533 0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.319 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.571 ' O ' ' O ' ' A' ' 114' ' ' ASN . 96.9 Cg_exo -42.34 -118.22 0.0 OUTLIER 'Trans proline' 0 N--CA 1.497 1.73 0 C-N-CA 122.687 2.258 . . . . 0.0 112.804 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 116' ' ' ASP . 0.5 OUTLIER 59.73 -152.57 0.39 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.841 0.353 . . . . 0.0 110.722 -179.761 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -135.15 71.04 68.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.07 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -61.94 -151.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.985 2.457 . . . . 0.0 112.323 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.2 mt -55.18 -59.13 5.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.86 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.8 t -117.95 84.27 20.71 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.803 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -50.56 -19.76 5.38 Favored 'Trans proline' 0 C--N 1.309 -1.543 0 C-N-CA 122.664 2.242 . . . . 0.0 112.21 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -61.84 -52.06 65.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.464 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 79.0 mt -57.38 -41.47 78.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.511 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.98 -36.09 81.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.553 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -56.25 -34.21 66.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.426 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 65.0 mt -74.1 -47.26 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.293 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -60.09 -30.74 69.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.733 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.02 -68.12 0.2 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.016 -178.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.445 ' CG2' ' N ' ' A' ' 130' ' ' ASP . 14.5 t -109.95 -42.28 4.26 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.733 0.302 . . . . 0.0 111.234 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.445 ' N ' ' CG2' ' A' ' 129' ' ' THR . 1.6 m-20 -76.33 81.53 3.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.732 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.422 ' HA ' ' HE ' ' A' ' 131' ' ' ARG . 0.1 OUTLIER -89.92 -32.12 16.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.301 179.743 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -55.19 -49.03 72.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.632 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -70.34 -49.44 49.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.447 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -48.08 -31.25 5.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.441 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -72.03 -32.57 67.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.617 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -69.74 -50.11 46.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.765 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.51 ' N ' ' CD1' ' A' ' 137' ' ' ILE . 1.5 mp -61.47 -55.02 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.585 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' SER . . . . . 0.46 ' O ' ' OG1' ' A' ' 142' ' ' THR . 38.9 m -52.41 -41.15 62.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.287 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 31.4 ttt85 -77.55 -26.49 50.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.296 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' A' ' 140' ' ' GLU . 0.0 OUTLIER -73.58 -50.11 22.91 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.642 -179.738 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -71.42 1.32 6.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.953 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' A' ' 138' ' ' SER . 97.4 m -78.0 -60.24 2.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.876 0.369 . . . . 0.0 111.149 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -69.65 -31.79 70.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.422 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -52.58 -50.27 63.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.787 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . 0.489 ' C ' ' H ' ' A' ' 147' ' ' MET . 44.8 m-85 -133.21 -33.12 1.15 Allowed 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 120.594 -0.442 . . . . 0.0 112.063 -178.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.53 43.75 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.981 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' MET . . . . . 0.489 ' H ' ' C ' ' A' ' 145' ' ' TYR . 4.9 mmt . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.229 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.9 tpp . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -73.62 105.91 5.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.435 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 37.2 pt -124.26 159.79 29.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.654 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -97.06 142.33 29.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.263 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 76.4 t -129.84 103.04 7.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.394 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -90.14 155.09 19.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.514 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 6.0 m -132.69 160.96 35.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.502 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.5 ' C ' ' H ' ' B' ' 10' ' ' GLY . 0.9 OUTLIER -56.06 -39.14 71.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.485 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' THR . . . . . 0.504 ' C ' ' H ' ' B' ' 11' ' ' LYS . 20.5 p -75.21 19.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.5 ' H ' ' C ' ' B' ' 8' ' ' LEU . . . 74.56 -21.69 1.48 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.504 ' H ' ' C ' ' B' ' 9' ' ' THR . 5.8 tmtm? -44.11 115.91 0.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.716 0.293 . . . . 0.0 110.387 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -135.78 122.78 21.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.729 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 12.3 pt -151.03 145.3 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.419 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.456 ' HG1' ' H ' ' B' ' 14' ' ' THR . 0.2 OUTLIER -66.96 139.92 57.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.377 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.67 165.13 13.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.555 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -117.33 119.79 36.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.197 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 3.7 t -133.4 161.25 41.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.939 0.399 . . . . 0.0 110.961 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' B' ' 20' ' ' SER . 3.5 tp10 -104.17 124.74 36.42 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.051 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -44.86 -10.73 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 122.226 1.951 . . . . 0.0 112.465 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.541 ' N ' ' O ' ' B' ' 18' ' ' GLU . 4.4 m -112.03 -17.2 12.91 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.894 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' B' ' 18' ' ' GLU . 18.9 m-20 -62.55 136.21 57.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 110.379 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.465 ' H ' ' HG1' ' B' ' 22' ' ' THR . 1.2 p -81.79 176.49 9.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.607 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.504 ' CG2' ' HZ3' ' B' ' 27' ' ' LYS . 7.6 mm -75.0 -20.16 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.721 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -70.15 -32.42 70.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.938 0.399 . . . . 0.0 110.121 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.31 -44.11 13.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.042 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -52.74 -33.95 19.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.246 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.504 ' HZ3' ' CG2' ' B' ' 23' ' ' ILE . 35.6 mttp -62.8 -31.27 72.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.9 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.15 -27.66 53.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.66 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -76.1 -29.61 57.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.05 -179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' B' ' 34' ' ' GLU . 90.1 mt -75.51 -52.35 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.732 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.34 -29.94 64.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 110.352 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -75.2 -29.0 60.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.727 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 25.1 ttmt -100.45 -17.64 17.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.26 -179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' B' ' 30' ' ' ILE . 33.7 mt-10 -108.46 -36.98 6.08 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 121.111 -0.236 . . . . 0.0 110.602 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.67 -22.21 34.56 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 4.2 pt -61.69 114.96 12.68 Favored Pre-proline 0 CA--C 1.533 0.326 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.376 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.35 142.0 38.85 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.163 1.909 . . . . 0.0 112.344 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.536 ' C ' ' H ' ' B' ' 40' ' ' GLN . 72.3 Cg_exo -43.08 -39.62 8.28 Favored 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 122.702 2.268 . . . . 0.0 112.755 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -55.18 -1.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.733 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.536 ' H ' ' C ' ' B' ' 38' ' ' PRO . 59.6 mt-30 -126.22 -1.81 6.99 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 121.001 -0.279 . . . . 0.0 111.159 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.641 ' N ' HE21 ' B' ' 41' ' ' GLN . 0.0 OUTLIER -76.98 121.19 23.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.961 0.41 . . . . 0.0 111.491 -179.371 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -145.36 105.3 4.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.719 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.504 ' CD2' ' N ' ' B' ' 43' ' ' LEU . 3.7 mm? -85.86 139.71 31.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.101 0.476 . . . . 0.0 111.097 -179.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.4 tp -137.97 131.76 42.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.917 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -139.54 137.05 35.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.612 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.92 37.97 25.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.54 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.43 15.07 58.69 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -126.26 137.02 53.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.805 0.336 . . . . 0.0 110.501 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -74.53 142.0 44.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.499 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.573 ' CD1' ' N ' ' B' ' 50' ' ' LEU . 4.7 mp -87.91 132.89 34.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.592 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -61.33 148.29 41.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.291 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -68.98 -24.75 64.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.857 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -117.72 73.29 0.29 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.475 ' CB ' ' OH ' ' B' ' 59' ' ' TYR . 1.8 mmt-85 -153.27 144.89 23.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.789 0.328 . . . . 0.0 110.194 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.46 ' OG1' ' OD2' ' B' ' 58' ' ' ASP . 6.9 p -91.65 147.43 23.01 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.582 ' CD2' ' N ' ' B' ' 56' ' ' LEU . 1.9 mm? -58.65 -36.9 74.86 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.687 -0.405 . . . . 0.0 109.954 -179.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.434 ' O ' ' ND2' ' B' ' 60' ' ' ASN . 30.9 t -55.83 -29.06 59.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.607 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.46 ' OD2' ' OG1' ' B' ' 55' ' ' THR . 64.1 m-20 -64.27 -45.12 89.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.673 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.475 ' OH ' ' CB ' ' B' ' 54' ' ' ARG . 24.6 m-85 -80.32 -1.39 40.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.427 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' B' ' 57' ' ' SER . 1.5 m120 56.52 69.32 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 30.9 mm -81.23 166.56 2.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.256 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -124.31 158.18 33.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.468 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.548 ' HZ1' ' CD ' ' B' ' 64' ' ' GLU . 4.9 ttpp -56.19 144.97 27.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.276 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.548 ' CD ' ' HZ1' ' B' ' 63' ' ' LYS . 7.3 mp0 55.6 29.41 13.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.402 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.1 t -52.6 168.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.556 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.9 m -130.19 110.7 11.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.647 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -122.42 155.42 36.13 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.126 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -110.51 144.56 39.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.328 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.427 ' C ' ' CD2' ' B' ' 69' ' ' LEU . 5.5 tt -122.65 118.41 28.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.667 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 17.1 m -104.94 136.21 39.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.329 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 24.9 mt -84.23 115.66 22.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.527 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -85.67 121.21 28.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.444 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 2.8 mp . . . . . 0 C--N 1.332 -0.194 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.447 -179.834 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.615 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 2.6 mm? -58.6 -36.92 74.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.216 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.405 ' HG3' ' H ' ' A' ' 5' ' ' ARG . 9.3 pttt -79.13 -49.22 12.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.747 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.405 ' H ' ' HG3' ' A' ' 4' ' ' LYS . 4.6 ttm180 -57.44 -55.36 35.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.801 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.4 mt -53.02 -38.92 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.566 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -66.3 -19.86 65.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.615 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.86 -50.08 74.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.437 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -67.11 -34.7 78.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.639 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.04 -37.95 72.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.512 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.8 t -59.94 -50.34 74.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.66 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -73.74 -21.98 60.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.575 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.7 tp -76.84 -48.61 17.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.658 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.66 -60.79 2.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.779 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.2 mtp-105 -44.67 -38.45 4.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.769 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -161.57 90.8 1.47 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.653 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -79.21 150.65 22.9 Favored 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 122.305 2.004 . . . . 0.0 111.893 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -51.65 127.83 24.09 Favored 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 122.166 1.911 . . . . 0.0 111.926 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.11 -35.26 61.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.546 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -59.36 -25.84 64.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.716 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.2 p -161.99 137.28 7.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.805 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.567 ' HG ' ' N ' ' A' ' 23' ' ' ALA . 3.3 t -88.46 149.97 23.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.336 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.567 ' N ' ' HG ' ' A' ' 22' ' ' SER . . . -163.8 159.16 20.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.74 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.9 154.14 11.2 Favored Glycine 0 CA--C 1.528 0.871 0 N-CA-C 110.811 -0.915 . . . . 0.0 110.811 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -73.23 148.03 43.27 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 122.61 2.207 . . . . 0.0 112.09 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.7 t -85.55 131.6 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.486 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 52.42 -167.52 0.93 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -78.44 -1.59 34.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 110.589 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -71.16 101.49 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.544 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.525 ' O ' ' CG ' ' A' ' 31' ' ' PHE . 1.9 mmt -84.49 81.19 8.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.409 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.525 ' CG ' ' O ' ' A' ' 30' ' ' MET . 38.7 m-85 -163.85 -39.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.703 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -101.65 120.77 40.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.881 0.372 . . . . 0.0 110.841 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -117.51 155.66 29.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.759 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -146.07 170.87 15.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.771 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -159.8 175.73 12.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.436 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.2 t -146.04 154.46 41.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.621 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.9 mt -142.09 136.92 30.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.539 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.494 ' SD ' ' O ' ' B' ' 71' ' ' LEU . 10.5 ttp -107.96 148.74 29.27 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.639 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.543 ' C ' ' H ' ' A' ' 41' ' ' ASN . . . -47.37 109.16 0.38 Allowed Glycine 0 CA--C 1.531 1.079 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.512 ' CB ' ' SG ' ' A' ' 111' ' ' CYS . 77.0 Cg_exo -47.24 -6.9 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.309 2.006 . . . . 0.0 112.308 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.543 ' H ' ' C ' ' A' ' 39' ' ' GLY . 2.7 m-20 74.34 48.45 0.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.554 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 2.3 m-20 -155.06 -47.21 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.352 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.89 162.78 48.73 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.215 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.513 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 37.5 Cg_endo -67.54 76.57 0.53 Allowed 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.562 2.175 . . . . 0.0 112.016 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.513 ' CD2' ' O ' ' A' ' 44' ' ' PRO . 3.3 m-85 -175.54 15.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -52.66 133.02 36.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.654 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.89 -0.56 88.27 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -90.85 111.43 3.95 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.6 m -86.22 131.28 34.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.743 0.306 . . . . 0.0 110.367 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -113.24 146.44 39.32 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.746 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.479 ' H ' ' HG1' ' A' ' 71' ' ' THR . 42.2 m-85 -131.66 135.13 46.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.186 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.3 pp -138.28 130.66 28.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.548 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.0 m -95.04 163.34 13.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.417 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.45 ' CG2' ' N ' ' A' ' 55' ' ' HIS . 63.0 mt -128.61 162.64 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.237 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.45 ' N ' ' CG2' ' A' ' 54' ' ' ILE . 93.9 m-70 -145.39 106.19 4.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.578 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -80.74 140.22 50.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.224 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -73.95 157.69 46.88 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.421 2.081 . . . . 0.0 112.029 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.5 p -79.76 0.05 32.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.336 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.479 ' C ' ' CG ' ' A' ' 60' ' ' TYR . 1.2 m-20 -109.34 23.11 14.94 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.523 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 62' ' ' PHE . 4.6 m-85 74.33 149.86 0.13 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.581 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.475 ' O ' ' N ' ' A' ' 63' ' ' LYS . 96.0 Cg_exo -37.71 -23.05 0.05 OUTLIER 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 122.59 2.193 . . . . 0.0 112.306 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 60' ' ' TYR . 16.3 m-85 -45.19 -17.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.236 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 61' ' ' PRO . 12.8 mttt -107.16 139.29 20.31 Favored Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.263 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -52.57 117.86 4.1 Favored 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 122.023 1.816 . . . . 0.0 111.773 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -79.01 146.53 20.4 Favored 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 122.222 1.948 . . . . 0.0 111.999 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -88.19 139.02 30.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.798 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.5 t -137.13 143.44 34.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.013 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -140.79 170.88 14.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.995 0.426 . . . . 0.0 110.897 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.4 ' H ' ' HA3' ' A' ' 82' ' ' GLY . 0.1 OUTLIER -120.81 104.21 9.69 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.21 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -66.03 -26.71 67.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.707 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.479 ' HG1' ' H ' ' A' ' 51' ' ' PHE . 4.1 m -87.02 143.36 27.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.675 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.2 mmt-85 -83.77 94.17 8.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.337 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.429 ' CG2' ' O ' ' A' ' 73' ' ' ILE . 3.3 tt -104.39 122.45 57.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.233 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -89.61 52.64 2.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.739 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -97.46 135.17 21.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.966 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -69.08 66.58 1.37 Allowed 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.104 1.869 . . . . 0.0 111.972 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.512 ' OD1' ' SG ' ' A' ' 85' ' ' CYS . 3.9 t-20 -173.86 -6.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.406 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 42.4 mt -132.64 128.37 57.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.369 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.684 ' ND2' ' H ' ' A' ' 80' ' ' SER . 0.4 OUTLIER -73.5 -159.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.707 -179.777 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.684 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 15.5 p -84.41 -37.1 21.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.744 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.476 ' ND2' ' OG ' ' A' ' 83' ' ' SER . 27.8 p-10 -72.94 1.46 8.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.5 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.4 ' HA3' ' H ' ' A' ' 69' ' ' PHE . . . 80.3 33.35 32.26 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.476 ' OG ' ' ND2' ' A' ' 81' ' ' ASN . 39.1 m -73.62 102.52 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 0.0 110.431 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.6 mt -91.9 127.76 43.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.592 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.512 ' SG ' ' OD1' ' A' ' 77' ' ' ASN . 31.2 p -81.56 113.01 19.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.36 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.5 mt -133.87 111.35 10.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.337 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -59.44 -24.09 63.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.758 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.408 HD13 HG23 ' A' ' 88' ' ' ILE . 3.4 mm -51.95 -47.61 41.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.44 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.44 ' N ' ' CD1' ' A' ' 89' ' ' LEU . 9.7 mp -53.15 -38.83 63.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.977 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 92' ' ' GLN . 61.6 mtp180 -65.64 -167.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.66 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.483 ' C ' ' H ' ' A' ' 93' ' ' TRP . 15.7 t -37.36 -26.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.218 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.526 ' N ' ' O ' ' A' ' 90' ' ' ARG . 27.1 mm-40 -77.32 28.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.649 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.483 ' H ' ' C ' ' A' ' 91' ' ' SER . 71.0 t-105 -105.38 102.95 12.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.564 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.549 ' C ' ' H ' ' A' ' 96' ' ' ALA . 1.0 OUTLIER -87.12 121.73 71.35 Favored Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.363 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -45.76 -9.52 0.04 OUTLIER 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 122.122 1.881 . . . . 0.0 112.167 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.549 ' H ' ' C ' ' A' ' 94' ' ' SER . . . -145.08 67.48 1.24 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.4 pp -104.01 150.54 24.15 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.426 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.54 ' O ' ' N ' ' A' ' 100' ' ' SER . 7.2 m -83.15 94.33 7.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.073 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 17.6 tt -38.63 -23.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.54 ' N ' ' O ' ' A' ' 98' ' ' THR . 97.2 p -53.07 -37.58 61.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.701 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -70.61 -36.38 73.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.858 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.1 t -57.61 -52.23 59.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.744 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 10.0 mp -51.93 -46.78 64.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.529 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.03 -39.06 84.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.342 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.2 m -53.53 -41.23 66.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.36 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 86.9 mt -71.06 -34.48 55.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.517 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 47.6 t -65.04 -45.14 86.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.1 p -70.68 -24.93 62.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.642 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 32.5 tp -57.93 -47.57 82.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.68 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.514 ' CD1' ' N ' ' A' ' 110' ' ' LEU . 7.3 mp -73.96 -36.34 64.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.712 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.512 ' SG ' ' CB ' ' A' ' 40' ' ' PRO . 1.8 m -79.46 5.08 13.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.609 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -170.82 68.23 0.5 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.692 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.89 163.69 28.35 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.685 2.257 . . . . 0.0 111.946 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -145.27 72.99 14.46 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.524 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_exo -48.75 113.08 0.75 Allowed 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.792 2.328 . . . . 0.0 112.08 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -140.92 -93.5 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.488 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.462 ' N ' ' CD ' ' A' ' 118' ' ' PRO . 91.3 m-20 -133.06 53.04 9.78 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.62 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' A' ' 117' ' ' ASP . 56.9 Cg_endo -71.62 -174.23 1.22 Allowed 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.704 2.269 . . . . 0.0 111.997 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 30.0 mt -80.35 22.36 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.341 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.414 ' H ' ' C ' ' A' ' 118' ' ' PRO . 5.6 m -150.78 66.21 7.32 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.483 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -64.01 -21.31 68.41 Favored 'Trans proline' 0 C--N 1.307 -1.605 0 C-N-CA 122.49 2.127 . . . . 0.0 112.14 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.04 -40.4 75.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.42 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 56.0 mt -76.43 -26.04 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.335 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.25 -53.05 59.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.458 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -56.89 -50.38 72.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.606 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.429 ' O ' ' O ' ' A' ' 130' ' ' ASP . 71.0 mt -54.26 -47.89 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.948 0.404 . . . . 0.0 110.2 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.657 ' HH ' ' NH2' ' A' ' 131' ' ' ARG . 59.2 t80 -70.96 -31.42 67.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.693 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.61 -68.21 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.34 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.32 -42.23 3.96 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.67 0.271 . . . . 0.0 111.284 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 126' ' ' ILE . 11.5 t0 -74.94 66.89 1.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.982 0.42 . . . . 0.0 110.557 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.657 ' NH2' ' HH ' ' A' ' 127' ' ' TYR . 13.0 mmt180 -72.46 -39.87 67.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.568 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -49.95 -49.06 51.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.018 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -66.0 -49.61 67.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.507 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -47.87 -39.8 19.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.548 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -65.37 -35.33 80.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.472 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -63.49 -50.13 70.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.552 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.538 ' N ' ' CD1' ' A' ' 137' ' ' ILE . 1.5 mp -69.1 -37.12 76.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.325 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.417 ' O ' ' OG1' ' A' ' 142' ' ' THR . 14.5 t -58.14 -44.0 87.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.818 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -78.95 -30.18 44.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.744 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.423 ' OE2' ' O ' ' A' ' 140' ' ' GLU . 3.0 tm-20 -72.17 -37.95 69.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.457 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -78.16 -4.04 45.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.483 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 138' ' ' SER . 6.5 m -77.85 -60.55 2.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.849 0.356 . . . . 0.0 110.506 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.497 ' OE1' ' SD ' ' A' ' 147' ' ' MET . 6.3 mm100 -64.83 -31.15 72.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.237 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 62.6 tttt -48.56 -54.57 13.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.817 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -133.23 -33.37 1.13 Allowed 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.513 -0.475 . . . . 0.0 112.221 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -53.44 -55.78 22.31 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.801 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' MET . . . . . 0.497 ' SD ' ' OE1' ' A' ' 143' ' ' GLN . 4.1 mtt . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.549 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.51 ' N ' ' O ' ' B' ' 17' ' ' VAL . 7.5 ptt? . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.532 ' NE2' ' O ' ' B' ' 15' ' ' LEU . 37.7 tp60 -122.88 143.55 49.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.633 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.3 pt -149.95 145.88 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.3 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.57 ' CE2' ' CG2' ' B' ' 14' ' ' THR . 25.6 m-85 -98.2 142.8 29.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.41 ' O ' ' CG2' ' B' ' 5' ' ' VAL . 5.3 m -135.52 124.28 39.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.252 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -122.96 131.37 53.69 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.582 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.464 ' OG1' ' N ' ' B' ' 8' ' ' LEU . 0.0 OUTLIER -110.36 174.74 5.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.605 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.47 ' CD2' ' N ' ' B' ' 8' ' ' LEU . 3.8 mm? -61.09 -27.01 68.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.34 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.404 ' HG1' ' CG2' ' B' ' 7' ' ' THR . 19.9 p -67.93 -4.93 14.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.538 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.68 -8.4 62.44 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.21 130.81 45.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.776 0.322 . . . . 0.0 110.423 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.8 m -137.01 124.94 22.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.356 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 9.0 pt -150.44 147.2 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.613 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.57 ' CG2' ' CE2' ' B' ' 4' ' ' PHE . 19.2 p -84.4 121.68 27.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.573 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.532 ' O ' ' NE2' ' B' ' 2' ' ' GLN . 11.1 mp -96.4 164.18 12.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.519 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' B' ' 1' ' ' MET . 43.5 mm-40 -117.67 126.77 53.09 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.22 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.51 ' O ' ' N ' ' B' ' 1' ' ' MET . 10.7 p -155.5 154.85 6.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.856 0.36 . . . . 0.0 110.776 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -87.53 150.36 48.55 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.233 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.97 -15.32 43.3 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 122.57 2.18 . . . . 0.0 112.357 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.1 m -96.07 -16.95 21.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.751 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -57.3 169.99 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.342 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -119.12 149.42 41.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.446 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.414 HG21 HD13 ' B' ' 23' ' ' ILE . 13.2 mm -50.84 -19.61 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.932 0.396 . . . . 0.0 110.417 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -72.52 -30.06 64.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.605 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -85.07 -49.53 8.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.0 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 p -52.8 -35.29 21.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.845 0.355 . . . . 0.0 110.234 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -62.3 -28.85 70.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.988 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.35 -31.13 54.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.822 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.405 ' NZ ' ' CB ' ' B' ' 29' ' ' LYS . 6.6 mtpm? -80.0 -44.42 20.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.43 -179.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 13.4 tt -59.83 -41.71 86.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.053 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' B' ' 35' ' ' GLY . 19.0 pt20 -65.4 -42.25 92.78 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.476 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -66.28 -28.82 69.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.903 0.382 . . . . 0.0 110.379 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.03 -62.9 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.88 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -81.53 -33.48 31.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.039 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . 106.71 -11.14 41.97 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 29.8 mt -67.91 132.07 92.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -68.49 161.19 46.05 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.127 1.885 . . . . 0.0 112.054 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.06 -34.09 38.94 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.779 2.319 . . . . 0.0 112.299 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -54.99 -38.43 67.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.623 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -91.61 -12.38 34.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.594 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -81.24 136.01 35.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.899 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -145.19 151.31 38.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.192 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.7 mt -125.76 122.64 36.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.866 0.365 . . . . 0.0 110.805 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 45.8 mm -123.69 154.84 30.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.136 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' B' ' 48' ' ' LYS . 25.7 t80 -159.46 114.33 2.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.539 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 45.52 31.14 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.578 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.87 27.93 44.11 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' B' ' 45' ' ' PHE . 69.7 mmtt -125.0 116.97 22.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.801 0.334 . . . . 0.0 110.451 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -81.01 131.74 35.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.563 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.422 ' CD1' ' N ' ' B' ' 50' ' ' LEU . 10.1 mp -82.07 134.11 35.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.611 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -83.81 153.63 23.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.42 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -65.67 -37.7 87.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -97.45 67.24 0.83 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -148.01 146.89 29.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.722 0.296 . . . . 0.0 110.28 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 28.5 p -98.86 149.06 23.3 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.487 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.491 ' CD2' ' N ' ' B' ' 56' ' ' LEU . 3.8 mm? -52.41 -45.45 65.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.599 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 12.8 t -58.48 -28.94 65.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.729 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -63.2 -45.09 93.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.742 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -83.34 -4.54 58.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.547 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . 0.41 ' O ' ' NE2' ' B' ' 62' ' ' GLN . 20.5 m120 44.09 55.17 5.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.504 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 36.3 mt -83.34 -6.35 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.628 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.527 ' OE1' ' N ' ' B' ' 62' ' ' GLN . 1.1 mp0 55.71 -170.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.527 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -99.74 166.17 11.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.712 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 53.99 48.27 21.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.786 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 13.3 p -105.1 168.11 9.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.547 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 85.0 m -121.41 109.0 14.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.545 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 17.9 mt -91.37 140.76 29.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.447 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -92.35 107.32 19.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.764 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -89.25 136.2 33.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.272 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 58.4 t -128.6 143.01 42.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.461 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.494 ' O ' ' SD ' ' A' ' 38' ' ' MET . 15.0 mt -97.7 121.58 39.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.736 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 -91.28 85.84 5.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.166 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 5.5 mt -79.49 114.52 18.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.592 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.44 ' O ' ' O ' ' B' ' 75' ' ' GLY . 2.1 tpt180 -81.34 -66.99 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.52 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' B' ' 74' ' ' ARG . . . 47.85 100.32 0.01 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.779 0 CA-C-O 117.99 -1.45 . . . . 0.0 110.995 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.8 mt -50.0 -19.95 0.83 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.373 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -75.86 -49.07 18.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.529 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -75.04 -35.86 61.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.613 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.4 mt -70.11 -49.02 58.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -52.88 -19.95 2.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.867 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.7 ttpp -67.27 -44.85 78.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.621 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.14 -34.2 65.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.478 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 tp -50.16 -40.46 46.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.494 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.3 t -59.94 -33.87 72.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.601 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -60.33 -32.77 71.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.68 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.6 mt -85.76 -12.99 49.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.662 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.83 -56.91 4.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.736 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.423 ' HG3' ' H ' ' A' ' 16' ' ' ASP . 0.8 OUTLIER -45.65 -48.65 14.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.643 -179.861 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.423 ' H ' ' HG3' ' A' ' 15' ' ' ARG . 13.7 t0 -176.39 100.51 0.24 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.358 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -80.95 150.65 18.26 Favored 'Trans proline' 0 C--N 1.312 -1.361 0 C-N-CA 122.32 2.014 . . . . 0.0 111.922 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -51.61 127.89 24.23 Favored 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 122.161 1.908 . . . . 0.0 112.108 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.22 -36.25 61.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.782 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -87.9 -3.94 58.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.7 m -151.03 62.58 0.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.787 0.327 . . . . 0.0 110.804 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.6 p -67.52 150.32 49.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.527 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -157.46 155.92 31.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.487 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -157.1 161.61 31.25 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.86 148.14 35.57 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.85 2.367 . . . . 0.0 112.208 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.5 p -116.37 128.27 73.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.313 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.75 150.47 6.98 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -52.42 -29.79 26.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.791 0.329 . . . . 0.0 110.433 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.426 ' O ' ' OD1' ' A' ' 29' ' ' ASP . 10.5 p30 -79.74 141.63 36.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.525 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.448 ' C ' ' H ' ' A' ' 32' ' ' HIS . 0.8 OUTLIER -90.65 -9.12 48.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.545 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -62.79 -3.68 1.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.387 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.448 ' H ' ' C ' ' A' ' 30' ' ' MET . 1.1 t-80 -136.29 120.95 18.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.384 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 14.8 m95 -115.11 177.24 4.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.35 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.601 HE21 ' H ' ' A' ' 35' ' ' ALA . 1.5 mm100 -145.85 169.19 19.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.362 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.601 ' H ' HE21 ' A' ' 34' ' ' GLN . . . -167.04 145.97 5.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.347 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.6 m -135.38 148.43 49.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.01 0.433 . . . . 0.0 110.721 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.8 pt -150.85 174.02 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.473 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.508 ' SD ' ' O ' ' B' ' 71' ' ' LEU . 6.2 ttt -129.91 156.44 44.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.315 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 40' ' ' PRO . . . -84.63 114.58 3.95 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 39' ' ' GLY . 73.7 Cg_exo -46.15 179.24 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.241 1.96 . . . . 0.0 112.11 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -71.12 -31.46 67.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.622 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -66.09 -23.12 66.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.571 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.542 ' O ' ' N ' ' A' ' 45' ' ' TYR . 5.9 p -96.71 110.83 55.2 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.406 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.532 ' C ' ' H ' ' A' ' 46' ' ' GLN . 71.5 Cg_exo -45.59 -9.78 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 122.264 1.976 . . . . 0.0 112.322 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.542 ' N ' ' O ' ' A' ' 43' ' ' SER . 48.7 m-85 -68.5 10.7 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.564 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.532 ' H ' ' C ' ' A' ' 44' ' ' PRO . 43.4 mt-30 -45.88 121.58 3.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.463 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.32 -28.28 16.73 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.31 165.36 53.9 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.5 m -141.64 133.13 27.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.833 0.349 . . . . 0.0 110.603 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -101.55 161.31 13.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.572 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 70' ' ' THR . 31.2 m-85 -140.04 132.06 27.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.292 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.44 136.3 37.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.441 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 m -108.03 139.94 41.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.543 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.9 mp -105.13 153.94 6.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.42 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -143.32 116.57 9.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.498 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.452 ' N ' ' CD1' ' A' ' 56' ' ' PHE . 25.2 m-85 -89.18 147.53 38.66 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.367 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.25 154.44 41.32 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 C-N-CA 122.461 2.107 . . . . 0.0 111.91 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.7 p -71.04 -9.33 57.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.268 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.471 ' C ' ' CG ' ' A' ' 60' ' ' TYR . 54.4 t0 -97.44 22.51 8.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.571 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.529 ' O ' ' N ' ' A' ' 62' ' ' PHE . 3.2 m-85 72.05 149.76 0.13 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.575 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' A' ' 63' ' ' LYS . 95.9 Cg_exo -37.25 -24.26 0.05 OUTLIER 'Trans proline' 0 C--N 1.312 -1.384 0 C-N-CA 122.694 2.263 . . . . 0.0 112.311 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.529 ' N ' ' O ' ' A' ' 60' ' ' TYR . 22.5 m-85 -45.78 -15.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.415 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 61' ' ' PRO . 6.8 mptt -113.11 147.27 36.93 Favored Pre-proline 0 CA--C 1.534 0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.231 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -55.54 118.43 5.19 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 C-N-CA 122.196 1.931 . . . . 0.0 111.863 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -79.39 159.29 25.96 Favored 'Trans proline' 0 C--N 1.312 -1.378 0 C-N-CA 122.342 2.028 . . . . 0.0 112.113 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.9 mmtm -96.73 137.01 36.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.484 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 p -137.18 147.96 26.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.463 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -158.6 145.99 17.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.579 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -83.52 114.06 21.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.261 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 51' ' ' PHE . 7.6 m -62.53 -46.04 90.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.399 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.435 ' HG1' ' N ' ' A' ' 51' ' ' PHE . 15.7 m -87.39 133.64 33.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.4 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -65.77 148.27 52.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.487 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.4 tt -153.86 137.92 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.389 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -94.79 31.82 1.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.44 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.492 ' O ' ' O ' ' A' ' 76' ' ' PRO . 71.0 t60 -94.64 133.08 27.34 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.374 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.538 ' C ' ' H ' ' A' ' 78' ' ' ILE . 73.0 Cg_exo -43.79 178.23 0.0 OUTLIER 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 122.314 2.01 . . . . 0.0 112.098 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.52 ' N ' ' OD1' ' A' ' 77' ' ' ASN . 1.0 OUTLIER 62.11 -3.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.72 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.538 ' H ' ' C ' ' A' ' 76' ' ' PRO . 47.6 mt -138.43 122.13 20.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.351 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.445 ' N ' ' OD1' ' A' ' 79' ' ' ASN . 1.4 m120 -98.11 -158.24 0.66 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.494 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.5 t -77.21 -18.48 57.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.513 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -81.98 -13.14 57.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.536 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.96 12.37 79.76 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.5 m -59.73 111.83 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.788 0.328 . . . . 0.0 110.503 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.3 mt -92.05 119.49 39.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.548 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 10.4 t -82.18 112.88 19.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.516 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.508 ' CD2' ' HG ' ' A' ' 105' ' ' SER . 13.0 mt -146.95 137.6 23.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.25 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -69.15 -52.02 32.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.969 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.568 ' H ' ' CD1' ' A' ' 88' ' ' ILE . 0.7 OUTLIER -51.5 -37.33 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.538 -179.624 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.47 -35.56 77.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.188 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 92' ' ' GLN . 15.1 mtp-105 -74.75 -165.19 0.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.801 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.572 ' C ' ' H ' ' A' ' 93' ' ' TRP . 15.4 p -37.31 -30.39 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.379 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 90' ' ' ARG . 18.2 mm100 -71.93 29.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.635 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.572 ' H ' ' C ' ' A' ' 91' ' ' SER . 62.5 t-105 -98.69 102.93 14.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.421 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.4 m -90.11 141.18 27.64 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.569 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -74.07 0.46 8.37 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 122.464 2.109 . . . . 0.0 112.19 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -120.06 17.21 12.48 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.013 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.467 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 3.7 pp -86.75 152.08 22.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.43 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.551 ' C ' ' H ' ' A' ' 100' ' ' SER . 38.7 p -94.38 125.83 39.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.357 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.3 tt -55.39 -3.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.653 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.551 ' H ' ' C ' ' A' ' 98' ' ' THR . 8.6 t -71.36 -61.05 1.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.651 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -35.71 61.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.468 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 94.0 t -57.33 -39.98 71.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.532 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.5 mt -68.0 -43.56 78.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.721 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.96 -29.5 68.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.291 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.508 ' HG ' ' CD2' ' A' ' 86' ' ' LEU . 6.9 t -67.28 -28.6 68.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.461 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.8 mm -71.09 -56.1 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.43 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 16.6 t -51.37 -56.07 15.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.733 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.1 t -51.54 -44.47 62.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.655 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.5 tp -49.79 -51.87 36.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.645 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.6 mt -49.59 -50.67 41.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.654 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 15.7 p -82.85 5.08 22.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.762 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 113' ' ' PRO . 66.0 m-20 -143.45 74.21 17.21 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.608 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.454 ' O ' ' O ' ' A' ' 112' ' ' ASP . 44.2 Cg_exo -53.67 -156.73 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.618 0 C-N-CA 122.871 2.38 . . . . 0.0 112.021 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.715 HD21 ' H ' ' A' ' 117' ' ' ASP . 4.7 t30 -166.38 72.16 1.17 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.682 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.92 -30.06 37.75 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.842 2.361 . . . . 0.0 112.23 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' A' ' 117' ' ' ASP . 83.9 m-20 -65.81 -42.3 90.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.705 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.715 ' H ' HD21 ' A' ' 114' ' ' ASN . 84.0 m-20 -141.64 74.81 22.71 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.4 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.529 ' C ' ' H ' ' A' ' 120' ' ' VAL . 74.2 Cg_endo -79.56 -11.62 14.16 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.778 2.319 . . . . 0.0 112.06 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.1 tp 67.86 -9.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.763 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.529 ' H ' ' C ' ' A' ' 118' ' ' PRO . 5.9 p -142.17 67.98 21.88 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.218 0.532 . . . . 0.0 110.408 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -43.93 -24.77 0.89 Allowed 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.844 2.363 . . . . 0.0 112.488 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -62.45 -49.99 73.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.556 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.431 ' H ' HG22 ' A' ' 120' ' ' VAL . 90.5 mt -78.12 -32.51 17.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.749 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.05 -40.75 87.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.872 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 45.0 mtp85 -54.79 -32.48 60.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.62 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 130' ' ' ASP . 39.4 mt -77.11 -56.1 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.474 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.569 ' CE1' ' CD ' ' A' ' 131' ' ' ARG . 58.3 t80 -56.12 -31.85 63.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.527 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -53.42 -68.04 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.002 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 27.3 p -99.17 -42.19 7.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.055 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 126' ' ' ILE . 28.4 m-20 -85.36 77.85 9.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.381 . . . . 0.0 110.579 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.569 ' CD ' ' CE1' ' A' ' 127' ' ' TYR . 15.5 tpp85 -88.62 -39.44 14.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.396 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -63.87 -49.01 74.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.685 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -64.93 -43.8 91.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.603 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -48.25 -43.91 32.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.743 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 131' ' ' ARG . 3.9 m120 -53.07 -46.04 68.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.671 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 56.3 ttt-85 -56.95 -40.37 76.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.743 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.402 HG21 HD13 ' A' ' 137' ' ' ILE . 9.1 mm -63.88 -35.54 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.661 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.448 ' O ' ' OG1' ' A' ' 142' ' ' THR . 43.3 m -66.97 -58.93 3.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.674 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -54.84 -52.25 63.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.772 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -51.03 -45.39 61.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.703 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -75.9 -28.25 57.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.584 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 138' ' ' SER . 34.3 m -64.41 -19.16 65.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.766 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.426 ' O ' ' O ' ' A' ' 147' ' ' MET . 37.8 tt0 -76.22 -44.35 38.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.236 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -101.45 -53.37 3.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.756 0.312 . . . . 0.0 111.704 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -74.92 19.35 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -164.05 -2.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.423 -0.511 . . . . 0.0 111.194 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' MET . . . . . 0.426 ' O ' ' O ' ' A' ' 143' ' ' GLN . 46.8 mtt . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.42 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 17.1 ttp . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -114.73 154.9 27.66 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.976 0.417 . . . . 0.0 110.616 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pp -131.18 163.72 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.374 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.414 ' O ' ' O ' ' B' ' 65' ' ' SER . 6.7 m-85 -96.58 142.76 28.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.967 0.413 . . . . 0.0 110.722 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' B' ' 5' ' ' VAL . 3.8 m -136.95 115.54 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.808 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -95.19 134.38 37.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.956 0.408 . . . . 0.0 111.034 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 15.6 m -89.02 157.07 18.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.582 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 tp -57.3 -18.56 17.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.387 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.426 ' H ' ' HG1' ' B' ' 9' ' ' THR . 18.0 p -91.24 -20.06 22.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.446 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.09 13.46 17.71 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.22 98.45 8.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.74 0.305 . . . . 0.0 110.359 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 11.0 m -95.12 131.41 41.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.784 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 8.4 pt -151.06 147.06 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.413 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 68.1 p -87.32 140.33 29.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.789 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.4 mp -120.29 165.05 15.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.814 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.525 ' O ' ' NZ ' ' B' ' 29' ' ' LYS . 41.7 mt-10 -119.76 117.07 27.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.174 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 12.3 m -137.17 -170.96 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.894 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' B' ' 21' ' ' ASP . 4.9 tt0 -136.06 130.08 18.29 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.002 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -44.37 -34.07 6.94 Favored 'Trans proline' 0 N--CA 1.492 1.412 0 C-N-CA 122.172 1.914 . . . . 0.0 112.252 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.9 m -81.38 -17.07 50.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.551 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' B' ' 18' ' ' GLU . 44.9 t0 -66.87 153.26 43.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.436 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.499 ' OG1' ' ND2' ' B' ' 25' ' ' ASN . 6.5 p -91.81 153.36 19.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.76 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.447 ' CD1' ' N ' ' B' ' 23' ' ' ILE . 2.5 mp -65.1 -9.35 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.356 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -73.09 -29.78 63.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.515 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.499 ' ND2' ' OG1' ' B' ' 22' ' ' THR . 56.5 m-80 -82.59 -47.87 11.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.465 -179.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.401 HG11 ' O ' ' B' ' 23' ' ' ILE . 7.1 p -52.84 -37.52 25.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.402 -179.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.47 ' NZ ' ' OD2' ' B' ' 52' ' ' ASP . 17.4 mttp -57.09 -42.46 80.75 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.71 -29.58 68.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.631 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.525 ' NZ ' ' O ' ' B' ' 16' ' ' GLU . 64.9 mttt -67.85 -44.44 77.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.499 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 83.0 mt -60.16 -31.92 49.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.37 . . . . 0.0 110.138 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.511 ' O ' ' N ' ' B' ' 35' ' ' GLY . 66.6 tt0 -64.34 -54.11 38.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.782 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -62.7 -28.92 70.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.973 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -84.21 -56.71 3.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.917 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.436 ' OE1' ' O ' ' B' ' 34' ' ' GLU . 0.0 OUTLIER -76.94 -37.26 55.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.852 -179.375 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . 100.52 -4.48 56.7 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.1 mt -92.77 132.72 30.6 Favored Pre-proline 0 C--N 1.329 -0.284 0 N-CA-C 110.248 -0.278 . . . . 0.0 110.248 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -68.58 150.14 74.69 Favored 'Trans proline' 0 N--CA 1.494 1.55 0 C-N-CA 121.952 1.768 . . . . 0.0 112.07 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.472 ' C ' ' H ' ' B' ' 40' ' ' GLN . 68.2 Cg_endo -73.12 -27.03 14.3 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 122.82 2.346 . . . . 0.0 112.508 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.437 ' O ' ' OE1' ' B' ' 40' ' ' GLN . 9.0 t70 -54.81 -7.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.747 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.472 ' H ' ' C ' ' B' ' 38' ' ' PRO . 4.1 mp0 -130.12 -1.88 4.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.509 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -126.77 142.5 51.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.9 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.616 ' NH2' ' NE2' ' B' ' 49' ' ' GLN . 9.6 ptm180 -144.3 158.57 43.67 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.473 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.512 ' CD2' ' N ' ' B' ' 43' ' ' LEU . 3.3 mm? -93.76 143.09 26.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.038 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 22.0 mt -144.15 136.4 22.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.189 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.419 ' O ' ' N ' ' B' ' 48' ' ' LYS . 16.9 t80 -136.78 146.46 45.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.523 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.31 29.14 1.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.687 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.44 28.08 66.46 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.484 ' HZ2' ' CB ' ' B' ' 48' ' ' LYS . 9.2 mtmp? -135.24 142.96 46.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.811 0.338 . . . . 0.0 110.607 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.616 ' NE2' ' NH2' ' B' ' 42' ' ' ARG . 17.6 mt-30 -82.0 135.42 35.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.637 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.463 ' CD1' ' N ' ' B' ' 50' ' ' LEU . 9.8 mp -90.14 140.75 29.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.43 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.412 ' H ' ' HH ' ' B' ' 59' ' ' TYR . 42.6 mm-40 -78.34 143.49 36.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.491 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.2 OUTLIER -71.64 -27.47 63.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.789 -179.854 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.26 -15.65 73.71 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.608 -0.597 . . . . 0.0 111.608 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 6.4 mmt-85 -76.9 177.03 8.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.502 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 42.4 p -131.8 146.95 52.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.174 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.543 ' O ' ' N ' ' B' ' 60' ' ' ASN . 6.7 mp -49.74 -23.11 1.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.113 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 12.0 t -57.52 -36.98 72.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.217 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -74.56 -45.01 48.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.274 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' B' ' 61' ' ' ILE . 56.6 m-85 -82.84 -1.51 52.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.302 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' B' ' 56' ' ' LEU . 0.5 OUTLIER 61.28 -79.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.908 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' B' ' 59' ' ' TYR . 1.3 mt 50.57 98.8 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.5 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -70.73 -177.21 1.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.487 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -73.31 158.44 35.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.45 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 54.98 36.77 27.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.544 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.414 ' O ' ' O ' ' B' ' 4' ' ' PHE . 89.9 p -87.64 148.96 24.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.567 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 11.6 m -107.97 111.11 23.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.501 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 83.6 mt -90.91 151.76 20.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.442 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -97.45 103.13 15.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.491 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 14.7 mt -89.16 141.48 28.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.442 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 22.2 m -133.36 150.31 32.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.283 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.508 ' O ' ' SD ' ' A' ' 38' ' ' MET . 12.7 mt -111.89 139.06 47.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.644 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 34.1 mtm105 -112.94 85.89 2.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.232 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 7.0 mp -62.84 167.05 4.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.677 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 52.9 ttp85 -44.06 102.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.646 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -105.9 132.1 10.96 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.708 0 CA-C-O 117.976 -1.458 . . . . 0.0 110.939 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.594 ' N ' ' CE2' ' A' ' 60' ' ' TYR . . . . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tt -49.91 -34.12 19.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.515 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -74.81 -53.19 9.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.6 mtt85 -61.43 -50.37 73.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.791 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.3 mt -52.99 -39.0 30.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.732 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 7' ' ' ASN . 36.3 t-20 -63.27 -23.78 67.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.973 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.574 ' CB ' ' NZ ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -67.51 -35.61 79.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.622 -179.837 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -70.82 -23.97 62.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.52 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.03 -34.12 71.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.407 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.7 t -59.98 -35.45 75.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.709 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 40.4 t0 -83.05 -22.05 33.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.624 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 tp -83.57 -52.57 6.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.66 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.98 -41.13 70.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.816 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.0 ttt85 -79.33 -46.71 17.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.804 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -121.3 79.12 35.79 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.647 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -79.16 161.15 26.37 Favored 'Trans proline' 0 C--N 1.309 -1.526 0 C-N-CA 122.613 2.209 . . . . 0.0 112.084 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.38 135.04 38.1 Favored 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 122.689 2.26 . . . . 0.0 112.165 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.1 -52.05 11.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.798 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.475 ' CG ' ' H ' ' A' ' 21' ' ' CYS . 4.6 pt20 -85.98 -54.49 4.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.674 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.475 ' H ' ' CG ' ' A' ' 20' ' ' GLN . 22.6 m -71.62 165.9 22.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.432 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.492 ' OG ' ' ND1' ' B' ' 68' ' ' HIS . 6.5 t -140.25 127.2 20.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.655 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -142.24 153.96 44.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.399 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -165.15 110.05 0.39 Allowed Glycine 0 CA--C 1.531 1.061 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -49.87 146.26 16.75 Favored 'Trans proline' 0 N--CA 1.493 1.468 0 C-N-CA 122.129 1.886 . . . . 0.0 111.944 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.426 ' O ' ' O ' ' A' ' 27' ' ' GLY . 44.5 t -100.92 151.95 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.509 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 26' ' ' VAL . . . -55.7 -161.47 0.02 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 29' ' ' ASP . 72.6 m-20 54.81 71.25 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 110.588 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 28' ' ' ASP . 3.2 m-20 59.76 143.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.609 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.1 mtp -79.24 67.98 5.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.623 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -125.4 -27.15 3.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.205 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -104.36 120.72 41.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.235 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -116.97 156.6 27.17 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.4 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.421 ' NE2' ' OG1' ' A' ' 53' ' ' THR . 26.9 tp60 -124.57 156.26 37.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.389 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -155.56 158.94 39.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.892 0.377 . . . . 0.0 110.779 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.6 m -146.2 155.09 42.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.561 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.401 HG21 HD13 ' A' ' 37' ' ' ILE . 1.3 pt -145.01 155.09 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.31 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.2 ttt -122.16 126.7 48.89 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.752 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.37 104.31 0.04 OUTLIER Glycine 0 CA--C 1.531 1.046 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -47.81 169.37 0.07 OUTLIER 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.217 1.945 . . . . 0.0 112.095 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.442 ' H ' HD21 ' A' ' 41' ' ' ASN . 1.7 p30 -80.74 -173.27 4.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.64 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.2 t70 50.47 33.62 8.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.648 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 p -157.12 151.44 20.14 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -69.52 -11.84 32.03 Favored 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 122.429 2.086 . . . . 0.0 111.897 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -73.98 -19.75 60.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.571 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -65.17 116.89 7.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.528 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 138.62 10.95 0.88 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -151.94 166.8 31.01 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.9 m -127.88 125.87 65.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.882 0.372 . . . . 0.0 110.484 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -95.37 179.92 5.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.386 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -140.11 129.23 23.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.552 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.2 tt -130.36 158.76 38.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.225 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.421 ' OG1' ' NE2' ' A' ' 34' ' ' GLN . 5.8 m -145.72 132.21 19.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.899 0.38 . . . . 0.0 110.82 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -98.57 133.09 42.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.135 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -113.56 115.48 28.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.86 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -85.64 126.87 65.1 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.178 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.525 ' C ' ' H ' ' A' ' 59' ' ' ASP . 87.4 Cg_endo -80.97 140.31 12.55 Favored 'Trans proline' 0 C--N 1.312 -1.372 0 C-N-CA 122.353 2.035 . . . . 0.0 112.097 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 43.6 p -52.29 -9.89 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.024 0.44 . . . . 0.0 109.892 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.525 ' H ' ' C ' ' A' ' 57' ' ' PRO . 5.2 t0 -83.99 23.72 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.48 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.594 ' CE2' ' N ' ' A' ' 2' ' ' ALA . 54.9 m-85 67.35 154.36 0.13 Allowed Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.984 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.573 ' O ' ' N ' ' A' ' 63' ' ' LYS . 32.5 Cg_exo -54.88 -44.28 51.23 Favored 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 122.865 2.377 . . . . 0.0 113.709 -179.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -44.83 -11.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.343 -178.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.573 ' N ' ' O ' ' A' ' 61' ' ' PRO . 18.3 mmtt -98.92 142.57 24.83 Favored Pre-proline 0 CA--C 1.533 0.294 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -52.6 116.91 3.18 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.116 1.878 . . . . 0.0 111.868 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -80.36 172.15 13.99 Favored 'Trans proline' 0 C--N 1.312 -1.35 0 C-N-CA 122.43 2.087 . . . . 0.0 112.187 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -106.76 96.34 6.37 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.576 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.1 p -93.13 148.06 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.368 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -155.24 150.93 27.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.883 0.373 . . . . 0.0 110.8 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.73 120.24 26.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.221 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.7 m -77.01 -28.41 54.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.67 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.8 m -106.44 114.49 28.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.671 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -49.99 145.48 5.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.253 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.5 tt -153.3 138.77 11.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.71 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -84.93 92.9 8.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.11 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -146.19 142.16 17.31 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.164 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -69.93 -27.38 25.73 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.281 1.987 . . . . 0.0 111.894 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -82.41 -27.0 32.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.316 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 23.0 mm -105.56 131.4 55.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.262 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -92.14 172.54 8.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.798 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.2 m -85.43 -23.59 27.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.384 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -76.11 -15.42 60.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.575 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.1 10.39 34.49 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.1 p -86.47 127.85 34.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.71 0.291 . . . . 0.0 110.426 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.0 mp -125.63 145.78 32.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.642 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 21.8 t -97.73 112.97 24.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.27 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.3 mp -133.86 128.43 34.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.688 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -69.14 -47.99 63.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.415 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.4 pp -55.62 -13.24 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.692 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.8 -12.32 22.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.756 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.433 ' CG ' ' N ' ' A' ' 91' ' ' SER . 6.8 ttp180 -80.63 -110.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.696 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.518 ' C ' ' H ' ' A' ' 93' ' ' TRP . 15.0 p -93.12 -20.23 20.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.657 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -75.64 25.94 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.558 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.518 ' H ' ' C ' ' A' ' 91' ' ' SER . 75.2 t-105 -82.23 102.94 11.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.407 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.533 ' C ' ' H ' ' A' ' 96' ' ' ALA . 1.4 m -82.11 119.58 75.36 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.475 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -46.6 -7.14 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.433 2.088 . . . . 0.0 112.708 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.533 ' H ' ' C ' ' A' ' 94' ' ' SER . . . -144.1 63.67 1.33 Allowed 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.351 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.418 ' H ' ' HG ' ' A' ' 97' ' ' LEU . 2.7 pp -104.22 152.06 22.63 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.326 179.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.6 m -76.52 135.96 39.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.525 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.402 ' CG2' ' N ' ' A' ' 100' ' ' SER . 5.3 tp -51.21 -39.5 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.583 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.402 ' N ' ' CG2' ' A' ' 99' ' ' ILE . 8.2 t -69.78 -12.94 62.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.877 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -62.25 -45.5 93.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.686 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.1 p -73.01 -33.94 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.665 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 42.8 mt -63.92 -39.22 93.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.814 0.34 . . . . 0.0 110.431 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.2 mt -68.18 -40.92 82.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.61 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 59.6 m -51.38 -39.51 57.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.635 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.4 mt -67.21 -43.64 88.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.662 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 46.2 t -50.96 -53.43 33.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.638 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 52.9 p -53.07 -24.87 10.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.695 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.38 -52.11 14.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.513 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.41 ' N ' ' CD1' ' A' ' 110' ' ' LEU . 10.7 mp -58.38 -40.26 81.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.622 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 12.2 t -74.16 -48.29 30.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.609 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 113' ' ' PRO . 12.5 t70 -113.23 96.43 39.17 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.572 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 112' ' ' ASP . 70.4 Cg_exo -48.76 -174.97 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.427 2.084 . . . . 0.0 112.068 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -156.73 84.74 3.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.699 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -78.67 2.04 8.53 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.476 2.117 . . . . 0.0 112.02 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -81.47 106.04 13.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.377 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.404 ' N ' ' HD3' ' A' ' 118' ' ' PRO . 42.3 t0 43.41 65.74 5.28 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.636 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.404 ' HD3' ' N ' ' A' ' 117' ' ' ASP . 34.1 Cg_exo -58.01 -146.2 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.711 2.274 . . . . 0.0 112.073 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.2 tp -132.91 -25.64 1.82 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.25 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.2 t -122.43 80.12 46.13 Favored Pre-proline 0 C--N 1.332 -0.192 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.319 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -46.48 -32.29 11.07 Favored 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.734 2.29 . . . . 0.0 112.432 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -61.98 -47.62 84.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.012 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 70.8 mt -77.05 -35.02 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.065 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.15 -40.39 86.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.338 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -54.75 -31.95 59.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.74 0.305 . . . . 0.0 110.848 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.527 ' O ' ' N ' ' A' ' 130' ' ' ASP . 43.5 mt -70.82 -51.31 37.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.872 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 127' ' ' TYR . 25.9 t80 -71.22 -31.87 68.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.152 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -64.58 -30.82 71.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.544 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.423 ' OG1' ' OD1' ' A' ' 130' ' ' ASP . 35.3 p -117.99 -42.31 2.83 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.701 0.286 . . . . 0.0 111.244 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 126' ' ' ILE . 0.9 OUTLIER -106.34 109.22 21.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.807 -179.641 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 33.8 mmm-85 -93.76 -44.57 8.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.637 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -60.87 -49.01 79.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.653 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 32.9 tttm -61.48 -28.94 69.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.577 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -75.97 -27.92 57.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.586 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -63.26 -46.02 88.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.019 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.443 ' HG3' ' H ' ' A' ' 137' ' ' ILE . 11.0 ptp180 -64.64 -49.94 69.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.071 -179.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.443 ' H ' ' HG3' ' A' ' 136' ' ' ARG . 20.4 mt -61.16 -48.76 87.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.709 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.462 ' HG ' ' N ' ' A' ' 139' ' ' ARG . 92.5 p -45.92 -46.41 16.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.495 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.462 ' N ' ' HG ' ' A' ' 138' ' ' SER . 32.8 ttm-85 -79.18 -33.24 44.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.704 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -62.56 -38.14 88.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.583 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -84.13 -13.57 52.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.62 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.576 ' O ' ' N ' ' A' ' 146' ' ' ALA . 92.9 m -69.91 -60.31 2.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.82 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -61.65 -31.52 71.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.862 0.363 . . . . 0.0 110.911 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -59.29 -37.3 77.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.028 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -125.98 -33.41 2.68 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.86 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . 0.576 ' N ' ' O ' ' A' ' 142' ' ' THR . . . -66.81 -71.04 0.21 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.727 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 14.6 mtt . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.565 179.933 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.571 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -153.12 145.8 24.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.278 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.531 ' CD1' ' N ' ' B' ' 3' ' ' ILE . 0.1 OUTLIER -148.45 148.11 16.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.483 179.709 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -93.78 120.57 34.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 10.5 m -102.19 126.25 56.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.754 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -112.64 118.59 35.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.661 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 47.6 m -94.67 161.89 14.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.375 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 tp -59.02 -16.66 19.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.473 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 65.1 p -83.28 1.74 39.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.588 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.12 -3.1 85.63 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -65.13 123.08 18.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.776 0.322 . . . . 0.0 110.518 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 60.8 m -130.02 121.07 25.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.561 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 7.5 pt -150.99 147.1 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.66 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.73 123.95 30.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.417 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.0 mp -98.35 138.05 36.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.301 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -91.37 113.69 26.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.182 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.546 ' O ' ' N ' ' B' ' 1' ' ' MET . 7.2 p -150.08 145.43 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.768 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -80.0 150.18 71.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.38 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.29 -15.55 46.14 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.629 2.219 . . . . 0.0 112.229 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.1 m -95.52 -14.99 23.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.623 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -56.99 165.01 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.449 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 3.1 m -116.53 140.77 49.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.682 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 30.7 mm -45.33 -39.06 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -48.94 -38.14 22.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.576 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -85.11 -45.67 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.779 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 11.9 t -53.0 -48.86 51.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.69 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.525 ' O ' ' NE2' ' B' ' 31' ' ' GLN . 22.4 mttt -50.88 -41.68 58.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.523 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.28 -27.82 66.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.194 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.547 ' HZ3' ' CB ' ' B' ' 29' ' ' LYS . 1.6 ttmp? -73.75 -54.35 8.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.305 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 14.6 tt -59.3 -32.0 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.796 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' B' ' 27' ' ' LYS . 32.9 mt-30 -59.92 -53.75 54.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.591 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.34 -29.93 61.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.678 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.2 tttp -53.93 -66.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.783 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -82.45 -34.8 27.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.755 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.48 52.29 0.72 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 62.0 mt -128.08 112.27 20.07 Favored Pre-proline 0 C--N 1.33 -0.247 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.34 156.04 6.18 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 122.032 1.821 . . . . 0.0 112.162 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -69.87 -7.88 22.2 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.838 2.359 . . . . 0.0 112.428 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -67.39 -16.78 64.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.861 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -130.23 -10.23 4.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.078 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -65.63 117.97 8.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 110.631 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -145.17 115.98 7.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.404 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.478 ' N ' ' CD1' ' B' ' 43' ' ' LEU . 9.4 mp -87.78 136.68 32.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.759 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 6.8 tp -136.01 141.5 41.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.652 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -147.88 112.33 5.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.461 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.9 31.94 21.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.508 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.93 -8.1 52.2 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -87.97 116.88 26.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.769 0.319 . . . . 0.0 110.503 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -72.65 127.5 32.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.417 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 11.1 mp -76.04 101.27 5.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.371 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -51.55 157.25 1.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.592 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -79.16 -25.4 42.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -103.16 49.23 0.97 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.526 -0.63 . . . . 0.0 111.526 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -143.12 169.38 17.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.835 0.35 . . . . 0.0 110.278 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.527 ' O ' ' CZ ' ' B' ' 59' ' ' TYR . 62.0 p -120.38 172.58 7.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.347 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.4 ' N ' ' CD1' ' B' ' 56' ' ' LEU . 10.0 mp -74.32 -18.76 60.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.379 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.9 p -73.94 -29.04 61.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.571 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.435 ' OD1' ' OG1' ' B' ' 55' ' ' THR . 1.1 m-20 -59.23 -45.11 92.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.625 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.527 ' CZ ' ' O ' ' B' ' 55' ' ' THR . 0.0 OUTLIER -90.81 4.22 52.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.276 179.783 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . 0.427 ' O ' ' O ' ' B' ' 61' ' ' ILE . 5.1 t30 75.09 -71.64 0.12 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.676 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.427 ' O ' ' O ' ' B' ' 60' ' ' ASN . 27.0 mm 57.04 157.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.537 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -127.15 175.35 8.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.463 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -68.37 148.56 50.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.576 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 54.9 24.38 5.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.507 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 11.7 p -60.69 136.99 58.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.672 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 17.2 m -89.42 108.94 19.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.664 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.406 ' N ' ' CD1' ' B' ' 67' ' ' LEU . 10.9 mp -98.79 144.04 28.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.3 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.492 ' ND1' ' OG ' ' A' ' 22' ' ' SER . 21.8 m170 -99.35 141.01 32.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.308 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.44 142.04 51.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.385 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 34.6 m -142.34 124.53 13.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.557 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.435 ' CD1' ' N ' ' B' ' 71' ' ' LEU . 10.2 mp -84.42 133.58 34.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.475 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -83.5 108.49 16.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.568 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 mp -93.82 132.11 38.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.388 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -159.92 130.64 5.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.527 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.08 176.15 49.34 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.732 0 CA-C-O 117.961 -1.466 . . . . 0.0 110.921 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.463 ' H ' ' CD1' ' A' ' 3' ' ' LEU . 5.9 mp -66.17 -28.1 68.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.442 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.0 mttm -61.25 -49.3 77.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.674 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -38.81 82.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.553 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.0 mt -67.5 -48.53 76.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.675 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -53.32 -24.17 11.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.648 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -69.14 -34.0 74.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.572 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -60.49 -29.01 68.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.574 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.74 -29.92 70.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.457 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.5 m -66.13 -27.01 67.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.666 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -73.08 -31.29 64.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.653 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.6 mt -75.11 -20.67 59.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.13 -17.38 46.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.695 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -84.21 -86.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.798 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -117.56 84.74 19.61 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.68 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -49.45 156.66 2.62 Favored 'Trans proline' 0 C--N 1.308 -1.562 0 C-N-CA 122.497 2.131 . . . . 0.0 111.917 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.15 140.2 37.05 Favored 'Trans proline' 0 C--N 1.309 -1.532 0 C-N-CA 122.599 2.199 . . . . 0.0 112.114 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.05 -52.07 11.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.637 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -99.14 -34.99 10.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.708 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.436 ' O ' ' OG ' ' A' ' 22' ' ' SER . 0.1 OUTLIER -76.2 175.32 9.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.484 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' A' ' 21' ' ' CYS . 3.6 m -168.17 95.23 0.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.367 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.36 160.84 25.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.72 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.52 158.75 14.96 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -73.44 131.96 16.98 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.582 2.188 . . . . 0.0 112.165 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.1 m -130.19 93.79 2.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.496 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 143.51 165.12 10.63 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -74.74 2.43 10.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 0.0 110.428 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -133.12 128.34 35.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.372 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.3 mtp -74.48 6.61 3.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.666 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -78.29 7.34 6.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.287 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -147.97 120.91 8.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.617 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -118.06 177.22 4.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.072 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -143.44 157.81 44.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.368 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -162.28 149.19 13.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.464 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.5 p -144.19 152.16 40.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.978 0.418 . . . . 0.0 110.747 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.419 ' CG2' ' SG ' ' A' ' 21' ' ' CYS . 5.8 pt -151.5 128.28 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.386 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.607 ' SD ' ' N ' ' A' ' 39' ' ' GLY . 1.1 tmm? -86.5 141.66 28.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.403 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.607 ' N ' ' SD ' ' A' ' 38' ' ' MET . . . -39.3 110.18 0.14 Allowed Glycine 0 CA--C 1.531 1.087 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -43.94 155.32 0.22 Allowed 'Trans proline' 0 N--CA 1.491 1.382 0 C-N-CA 122.214 1.943 . . . . 0.0 112.2 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -81.63 163.18 22.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.628 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 42' ' ' ASP . 10.5 t70 61.88 32.33 18.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.745 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.6 t -157.05 145.65 14.61 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.538 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.514 ' O ' ' N ' ' A' ' 46' ' ' GLN . 80.3 Cg_exo -38.87 -43.91 2.29 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 C-N-CA 122.637 2.225 . . . . 0.0 112.397 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -44.94 -15.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.833 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' A' ' 44' ' ' PRO . 8.3 mm100 -45.98 117.12 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.403 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.4 58.66 2.53 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -161.63 102.42 0.21 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.493 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 29.3 m -80.39 149.87 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.785 0.326 . . . . 0.0 110.552 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.493 ' CD1' ' O ' ' A' ' 49' ' ' VAL . 46.5 m-85 -145.43 136.27 24.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.55 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -109.88 150.83 27.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.384 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.72 147.62 26.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.36 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.77 167.08 12.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.339 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.3 mp -137.76 124.37 27.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.597 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -97.59 156.1 16.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.554 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -136.15 105.94 9.5 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.642 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.404 ' O ' ' N ' ' A' ' 60' ' ' TYR . 71.6 Cg_endo -81.16 157.5 20.1 Favored 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 122.279 1.986 . . . . 0.0 111.869 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 34.4 p -48.98 -36.15 16.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 110.408 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -89.26 23.14 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.394 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.553 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 46.9 t80 -43.68 -53.68 11.87 Favored Pre-proline 0 CA--C 1.534 0.347 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.588 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.553 ' HD2' ' N ' ' A' ' 60' ' ' TYR . 13.5 Cg_endo -55.8 -7.5 1.6 Allowed 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 122.13 1.887 . . . . 0.0 112.369 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -123.2 -37.01 2.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.982 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -109.7 119.23 48.38 Favored Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.691 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -52.3 162.35 2.17 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 122.036 1.824 . . . . 0.0 111.635 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.27 165.22 28.08 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 C-N-CA 122.635 2.223 . . . . 0.0 112.209 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.6 90.36 3.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.315 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.0 t -80.88 134.39 27.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.3 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -141.82 138.98 32.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.368 . . . . 0.0 110.884 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -84.35 110.28 18.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.296 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.7 p -61.71 -20.04 63.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.439 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.2 m -106.74 103.04 12.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.536 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.4 114.78 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.399 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 16.7 tt -116.43 156.7 17.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.562 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -94.22 47.6 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.552 ' HD1' ' N ' ' A' ' 76' ' ' PRO . 1.6 t-80 -101.22 116.32 63.99 Favored Pre-proline 0 CA--C 1.532 0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.537 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.552 ' N ' ' HD1' ' A' ' 75' ' ' HIS . 75.1 Cg_exo -44.45 -50.04 8.44 Favored 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 122.267 1.978 . . . . 0.0 112.269 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.473 ' N ' HD21 ' A' ' 77' ' ' ASN . 1.3 m-80 -55.73 -4.37 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.771 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.534 ' H ' ' C ' ' A' ' 76' ' ' PRO . 5.2 mp -140.03 130.89 31.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.666 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -88.33 -175.81 5.13 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.352 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 84.8 p -79.21 -15.83 57.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.316 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -78.99 -15.21 58.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.479 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 98.61 2.17 57.55 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.7 t -64.74 109.88 2.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.723 0.296 . . . . 0.0 110.6 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 6.2 mt -96.38 132.78 39.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.593 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 43.7 t -87.61 113.2 23.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.557 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.3 mt -135.81 147.3 48.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.435 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -69.08 -52.14 31.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.861 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.559 ' H ' HD12 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -51.87 -39.07 24.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.412 ' O ' ' CD2' ' A' ' 89' ' ' LEU . 1.1 tt -79.92 33.53 0.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.671 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.458 ' H ' ' C ' ' A' ' 88' ' ' ILE . 1.7 tmm_? -148.08 -94.21 0.08 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.348 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.559 ' C ' ' H ' ' A' ' 93' ' ' TRP . 48.9 m -98.56 -44.15 6.58 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.87 0.367 . . . . 0.0 110.973 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -70.23 29.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.181 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.559 ' H ' ' C ' ' A' ' 91' ' ' SER . 63.1 t-105 -78.66 123.5 27.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 0.0 110.479 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.509 ' C ' ' H ' ' A' ' 96' ' ' ALA . 2.6 m -135.94 116.58 11.51 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.613 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -54.26 -1.15 0.12 Allowed 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.536 2.157 . . . . 0.0 112.341 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.509 ' H ' ' C ' ' A' ' 94' ' ' SER . . . -119.45 30.88 6.87 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.442 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.451 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 3.9 pp -104.15 152.02 22.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.76 0.315 . . . . 0.0 110.306 179.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 32.8 m -93.96 150.61 20.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.898 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.488 ' CG2' ' N ' ' A' ' 100' ' ' SER . 3.4 tp -57.09 -44.61 83.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.496 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.488 ' N ' ' CG2' ' A' ' 99' ' ' ILE . 4.4 m -53.0 -39.08 62.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.512 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -53.87 -35.74 61.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.409 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 15.7 t -73.09 -51.43 26.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.72 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 43.5 mt -53.6 -42.78 68.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.684 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.3 mp -59.9 -24.94 64.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.379 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.6 m -74.62 -31.82 62.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.621 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 87.4 mt -70.25 -48.67 59.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.568 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 19.5 m -52.18 -37.36 54.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.685 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.0 m -81.96 -25.01 35.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.701 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.7 tp -67.46 -52.02 44.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.682 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.9 mp -54.75 -51.15 66.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.549 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.401 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 61.0 m -69.75 -14.98 63.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.756 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 111' ' ' CYS . 63.2 m-20 -159.6 81.43 2.49 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.762 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -79.27 -161.34 0.15 Allowed 'Trans proline' 0 C--N 1.309 -1.542 0 C-N-CA 122.503 2.136 . . . . 0.0 111.987 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -131.39 75.56 77.1 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.637 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -49.65 -17.84 2.22 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.745 2.297 . . . . 0.0 112.115 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.97 126.56 33.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.572 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 41.63 60.63 8.56 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.676 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -78.56 -162.53 0.18 Allowed 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.809 2.339 . . . . 0.0 112.258 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.5 tp -92.41 -28.07 17.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.478 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.9 t -133.92 76.85 64.06 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.566 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -50.36 -17.96 3.17 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.92 2.413 . . . . 0.0 112.404 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -68.92 -52.07 33.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.787 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 19.7 mt -78.35 -25.91 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.566 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.41 -51.71 68.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.309 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -54.84 -35.1 63.61 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.723 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 130' ' ' ASP . 23.7 mt -58.83 -56.29 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 110.399 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -63.88 -31.83 73.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.395 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -59.36 -62.44 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.11 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 78.7 p -98.41 -42.26 7.43 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.307 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 126' ' ' ILE . 8.9 m-20 -93.11 79.15 4.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.798 0.333 . . . . 0.0 110.685 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 21.6 tpt85 -78.88 -43.0 25.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.471 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -56.0 -47.23 78.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.671 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -59.82 -57.19 13.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.744 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.431 ' O ' ' OG ' ' A' ' 138' ' ' SER . 72.4 t80 -48.55 -35.85 14.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.794 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -67.76 -29.88 69.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 49.6 ttp85 -78.12 -50.06 12.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.879 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.525 ' N ' ' CD1' ' A' ' 137' ' ' ILE . 1.5 mp -69.07 -45.5 79.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.606 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 134' ' ' TYR . 85.6 p -55.31 -42.17 73.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.852 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -78.69 -48.36 15.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.929 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -50.86 -41.53 58.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.415 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' TRP . . . . . 0.532 ' O ' ' N ' ' A' ' 145' ' ' TYR . 13.7 m95 -74.36 -44.69 51.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.332 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.549 ' O ' ' N ' ' A' ' 146' ' ' ALA . 99.6 m -52.34 -53.98 37.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.749 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -55.7 -31.75 62.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -94.35 -18.88 21.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.543 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . 0.532 ' N ' ' O ' ' A' ' 141' ' ' TRP . 35.1 m-85 -121.59 19.35 11.18 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 121.141 -0.224 . . . . 0.0 111.239 -179.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . 0.549 ' N ' ' O ' ' A' ' 142' ' ' THR . . . -153.32 44.91 0.64 Allowed 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 21.6 mmt . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.419 179.862 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.536 ' SD ' ' CG2' ' B' ' 3' ' ' ILE . 11.4 tmm? . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.438 ' OE1' ' O ' ' B' ' 15' ' ' LEU . 3.8 tp-100 -81.41 145.91 30.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.536 ' CG2' ' SD ' ' B' ' 1' ' ' MET . 2.4 pp -148.02 153.43 11.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.323 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.577 ' CE2' ' CG2' ' B' ' 14' ' ' THR . 24.8 m-85 -106.92 109.88 21.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.443 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 1.4 p -95.68 111.52 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.419 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -99.05 115.97 30.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.27 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.0 p -96.23 174.26 6.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.807 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.09 -10.6 59.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.44 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 4.0 m -68.01 -5.35 16.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.507 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.22 25.02 60.18 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.513 ' CB ' ' HZ1' ' B' ' 11' ' ' LYS . 0.0 OUTLIER -125.65 145.55 50.11 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.825 0.345 . . . . 0.0 110.401 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -123.69 107.9 11.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.352 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 15.6 tt -116.41 147.1 20.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.526 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.577 ' CG2' ' CE2' ' B' ' 4' ' ' PHE . 21.7 p -96.76 124.89 40.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.438 ' O ' ' OE1' ' B' ' 2' ' ' GLN . 4.1 mm? -108.36 164.03 12.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.167 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.519 ' N ' ' OE1' ' B' ' 16' ' ' GLU . 16.0 mp0 -116.2 120.44 39.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.499 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -147.14 139.19 18.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.573 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -80.83 151.57 70.99 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.202 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.66 -25.1 40.64 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 122.579 2.186 . . . . 0.0 112.247 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.9 m -85.16 -17.15 38.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.802 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -66.86 141.23 57.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.341 . . . . 0.0 110.276 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.463 ' OG1' ' OD1' ' B' ' 25' ' ' ASN . 6.6 p -68.93 172.97 5.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.463 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 44.9 mm -70.4 -49.18 55.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.742 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -48.85 -29.56 4.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.258 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.463 ' OD1' ' OG1' ' B' ' 22' ' ' THR . 6.1 m120 -66.93 -50.26 62.92 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 -178.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.42 HG12 ' N ' ' B' ' 27' ' ' LYS . 7.2 p -56.04 -33.62 36.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.917 -179.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.42 ' N ' HG12 ' B' ' 26' ' ' VAL . 1.6 mtpm? -64.09 -29.07 70.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.0 0.429 . . . . 0.0 109.864 179.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.29 -27.85 61.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.768 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -77.39 -52.98 8.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.94 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 96.7 mt -58.4 -52.05 64.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.974 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' B' ' 35' ' ' GLY . 0.0 OUTLIER -56.68 -37.06 70.33 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.619 -179.716 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -74.72 -28.92 60.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.943 0.401 . . . . 0.0 110.204 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 11.5 tptp -76.62 -45.34 30.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.636 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -92.21 -37.06 12.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.694 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . 109.98 -26.35 14.17 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 75.6 mt -61.84 113.51 8.63 Favored Pre-proline 0 C--N 1.329 -0.308 0 C-N-CA 121.352 -0.139 . . . . 0.0 110.631 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -51.42 146.6 24.68 Favored 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 121.991 1.794 . . . . 0.0 111.864 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.533 ' C ' ' H ' ' B' ' 40' ' ' GLN . 48.8 Cg_exo -51.15 -46.27 32.05 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 122.369 2.046 . . . . 0.0 112.27 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -55.67 -2.22 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.445 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.533 ' H ' ' C ' ' B' ' 38' ' ' PRO . 42.2 mt-30 -117.64 -2.14 11.49 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.656 0.265 . . . . 0.0 110.893 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -147.28 127.85 14.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.959 0.409 . . . . 0.0 110.753 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -115.1 155.05 27.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.148 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 mp -110.3 132.22 54.36 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.936 0.398 . . . . 0.0 110.603 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 82.5 mt -131.14 141.51 45.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.01 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -129.07 122.48 30.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.543 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.69 29.09 18.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.44 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.93 28.06 63.37 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.561 ' HZ3' ' CB ' ' B' ' 48' ' ' LYS . 2.1 ttmp? -132.79 131.5 41.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.786 0.327 . . . . 0.0 110.497 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.561 ' H ' ' CD ' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -68.81 133.63 48.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.622 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 71.7 mt -82.78 111.39 18.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.519 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' B' ' 51' ' ' GLU . 0.3 OUTLIER -49.37 124.36 9.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.281 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -56.72 -35.72 68.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.044 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.66 62.77 0.7 Allowed Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 4.7 mmt-85 -152.17 171.19 18.3 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 10.6 p -111.76 147.0 36.6 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.401 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 18.6 mt -60.36 -27.9 67.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.482 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 8.1 t -59.8 -28.99 67.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.521 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -70.14 -45.06 67.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.599 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -70.18 -1.34 9.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.418 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 48.01 56.83 6.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.787 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 mt -94.37 127.83 46.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.581 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -80.85 -171.2 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.629 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.533 ' C ' ' H ' ' B' ' 65' ' ' SER . 0.0 OUTLIER -85.44 164.09 18.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.509 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.428 ' H ' ' HG2' ' B' ' 63' ' ' LYS . 20.3 tt0 60.13 0.23 0.27 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.672 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.533 ' H ' ' C ' ' B' ' 63' ' ' LYS . 10.1 p -45.14 168.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.463 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.93 110.01 14.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.484 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.441 ' CD1' ' N ' ' B' ' 67' ' ' LEU . 10.0 mp -95.9 143.39 27.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.417 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -101.2 132.67 46.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.504 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 12.2 tp -111.3 110.59 21.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.635 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -104.37 160.99 4.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.338 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.45 ' CD1' ' N ' ' B' ' 71' ' ' LEU . 10.1 mp -93.73 132.43 38.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.636 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -115.76 131.19 57.01 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.421 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 1.2 mp -132.03 156.78 45.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.598 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 74.85 135.59 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.458 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.87 -134.82 12.09 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.741 0 CA-C-O 117.979 -1.456 . . . . 0.0 110.857 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.1 mt -51.58 -36.89 47.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.695 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -60.06 -44.69 94.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.714 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.4 mtt-85 -74.97 -43.81 51.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.679 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 90.3 mt -58.86 -44.22 90.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.681 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -62.4 -31.53 72.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.679 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -60.97 -34.07 74.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.526 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -62.51 -30.65 71.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.58 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.23 -21.64 59.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.576 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.8 m -65.12 -51.05 63.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.421 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 35.8 t0 -75.15 -22.02 58.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.69 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 tp -83.97 -19.43 34.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.671 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.61 -32.7 25.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.777 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.31 -88.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.574 -179.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -113.89 88.88 15.04 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.691 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -80.41 163.96 21.68 Favored 'Trans proline' 0 C--N 1.309 -1.502 0 C-N-CA 122.459 2.106 . . . . 0.0 111.95 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -51.58 127.84 24.01 Favored 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 122.403 2.069 . . . . 0.0 112.061 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.25 -35.34 61.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.686 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -85.57 -44.87 12.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.831 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.479 ' SG ' ' O ' ' A' ' 36' ' ' THR . 10.2 t -95.49 169.68 9.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.889 0.376 . . . . 0.0 110.617 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.2 m -139.08 155.1 48.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.272 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.99 176.15 3.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.749 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.48 138.24 2.77 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -45.02 146.28 2.61 Favored 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 122.294 1.996 . . . . 0.0 111.978 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.4 t -100.38 93.99 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.331 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.521 ' C ' ' H ' ' A' ' 29' ' ' ASP . . . 86.36 172.7 48.77 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.43 ' O ' ' OD1' ' A' ' 28' ' ' ASP . 39.9 t0 -71.87 13.61 0.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.809 0.338 . . . . 0.0 110.593 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.521 ' H ' ' C ' ' A' ' 27' ' ' GLY . 16.5 t70 -107.34 101.91 11.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.549 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.558 ' C ' ' H ' ' A' ' 32' ' ' HIS . 0.1 OUTLIER -55.99 -161.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.129 179.873 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 58.02 0.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.658 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.558 ' H ' ' C ' ' A' ' 30' ' ' MET . 11.1 t-160 -128.12 120.91 28.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.351 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 21.7 m95 -127.81 171.3 11.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.532 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -141.23 157.84 44.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.452 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.63 157.77 43.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.693 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.479 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 7.3 m -145.96 145.92 30.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.436 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mt -146.61 160.15 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.485 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.463 ' O ' ' C ' ' A' ' 39' ' ' GLY . 0.8 OUTLIER -131.0 129.92 42.69 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.479 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 38' ' ' MET . . . -31.0 96.76 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -50.29 144.68 22.9 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 122.356 2.037 . . . . 0.0 112.088 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.67 ' ND2' ' H ' ' A' ' 42' ' ' ASP . 0.7 OUTLIER -56.52 166.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.478 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.677 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 2.5 m-20 58.12 40.97 24.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.459 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.77 149.25 21.82 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.25 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.604 ' CG ' ' HG ' ' A' ' 138' ' ' SER . 51.1 Cg_endo -69.83 0.6 5.47 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.485 2.123 . . . . 0.0 112.264 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.545 ' OH ' ' CD2' ' A' ' 75' ' ' HIS . 30.8 m-85 -90.07 -5.74 56.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.684 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.677 ' NE2' ' H ' ' A' ' 42' ' ' ASP . 72.7 mt-30 -55.83 116.88 3.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.487 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 141.03 -75.5 0.34 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -78.94 171.94 55.19 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.1 t -123.57 147.01 28.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.73 0.3 . . . . 0.0 110.464 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 37.6 m-85 -109.36 170.86 7.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -140.0 153.09 46.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.382 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.512 ' CD2' ' N ' ' A' ' 53' ' ' THR . 7.6 tt -149.87 156.71 42.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.406 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.512 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 2.3 m -137.86 131.26 30.78 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.636 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.467 ' CD1' ' N ' ' A' ' 54' ' ' ILE . 0.7 OUTLIER -101.62 122.12 53.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.548 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -107.88 144.25 35.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.705 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -115.82 128.39 26.01 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.145 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.534 ' C ' ' H ' ' A' ' 59' ' ' ASP . 93.1 Cg_endo -81.28 135.54 9.6 Favored 'Trans proline' 0 N--CA 1.491 1.325 0 C-N-CA 122.297 1.998 . . . . 0.0 112.106 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.9 p -50.26 -11.48 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.222 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.534 ' H ' ' C ' ' A' ' 57' ' ' PRO . 1.2 m-20 -81.26 23.74 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.567 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.497 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 77.2 m-85 75.65 149.2 0.12 Allowed Pre-proline 0 N--CA 1.463 0.182 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.569 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.529 ' C ' ' H ' ' A' ' 63' ' ' LYS . 50.7 Cg_endo -69.11 -30.39 25.38 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.686 2.257 . . . . 0.0 113.841 -179.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.48 ' C ' ' CD1' ' A' ' 62' ' ' PHE . 2.8 p90 -46.61 -13.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.438 -179.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.529 ' H ' ' C ' ' A' ' 61' ' ' PRO . 26.6 mtpt -92.05 154.5 43.37 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.86 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.82 107.67 0.27 Allowed 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.656 2.237 . . . . 0.0 111.908 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.476 ' CD ' ' CZ3' ' A' ' 93' ' ' TRP . 31.5 Cg_exo -55.48 172.13 0.52 Allowed 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.32 2.014 . . . . 0.0 112.267 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.31 82.89 1.71 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.346 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.7 p -86.27 148.07 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.506 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -151.02 135.87 17.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.787 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -87.87 106.65 18.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.009 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -40.01 92.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.691 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.467 ' CG2' ' N ' ' A' ' 72' ' ' ARG . 93.8 m -86.48 166.58 15.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.577 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.467 ' N ' ' CG2' ' A' ' 71' ' ' THR . 0.0 OUTLIER -96.51 145.34 25.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.124 179.814 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.1 tt -153.1 136.53 7.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.577 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.437 ' O ' ' OH ' ' A' ' 134' ' ' TYR . 6.7 t80 -93.2 88.19 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.578 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.545 ' CD2' ' OH ' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -138.08 144.94 45.62 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.036 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -69.88 -24.16 29.43 Favored 'Trans proline' 0 C--N 1.31 -1.468 0 C-N-CA 122.431 2.088 . . . . 0.0 111.816 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -90.69 -17.27 27.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.58 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 48.4 mt -130.32 120.39 48.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.54 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.507 ' ND2' ' H ' ' A' ' 80' ' ' SER . 4.5 t-20 -79.98 159.59 26.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.64 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.507 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 39.7 m -66.91 -21.31 65.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.581 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -72.86 -1.13 15.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.468 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.82 35.09 20.1 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.9 m -96.44 104.77 16.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.759 0.314 . . . . 0.0 110.562 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.572 ' N ' ' CD1' ' A' ' 84' ' ' ILE . 2.0 mp -91.84 134.36 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.23 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 56.9 m -127.22 126.04 42.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.598 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.1 mt -143.39 163.34 33.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.297 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -69.03 -52.22 30.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.761 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.8 pp -59.32 -16.79 10.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.747 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.7 tp -80.84 -12.87 59.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.938 0.399 . . . . 0.0 110.162 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.7 tpt85 -95.87 -130.22 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.472 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.508 ' C ' ' H ' ' A' ' 93' ' ' TRP . 25.7 t -78.81 -17.95 54.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.727 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -72.65 16.32 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.38 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.64 ' CD1' ' N ' ' A' ' 94' ' ' SER . 29.5 t-105 -76.72 157.4 31.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.543 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.64 ' N ' ' CD1' ' A' ' 93' ' ' TRP . 4.6 m -139.68 121.87 10.04 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.302 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -45.77 -9.87 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 122.029 1.82 . . . . 0.0 112.012 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.557 ' H ' ' C ' ' A' ' 94' ' ' SER . . . -110.2 23.01 14.86 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 94' ' ' SER . 2.7 tt -79.89 115.82 19.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.415 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 99' ' ' ILE . 5.3 t -81.95 -171.94 3.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.461 ' N ' ' OG1' ' A' ' 98' ' ' THR . 8.5 mm -92.12 -43.71 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.49 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.1 m -52.91 -18.95 2.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.968 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -82.06 -51.1 8.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.916 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 24.5 t -54.82 -51.45 52.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.734 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.413 ' N ' ' CD1' ' A' ' 103' ' ' LEU . 8.4 mp -53.08 -50.1 65.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.605 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -45.11 89.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.349 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.1 t -48.95 -49.51 40.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.57 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.15 -47.12 95.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.563 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.3 t -55.58 -31.74 62.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.578 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.522 ' HG ' ' N ' ' A' ' 109' ' ' LEU . 19.5 p -71.62 -31.27 66.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.648 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.522 ' N ' ' HG ' ' A' ' 108' ' ' SER . 0.2 OUTLIER -62.31 -49.69 74.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.364 -179.841 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 17.2 mt -63.49 -37.03 85.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.615 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 16.2 t -65.94 -30.51 71.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -145.76 80.15 10.75 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.617 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -79.19 115.34 3.48 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 122.66 2.24 . . . . 0.0 112.197 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -107.79 109.99 62.39 Favored Pre-proline 0 CA--C 1.532 0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.569 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -78.86 37.58 0.67 Allowed 'Trans proline' 0 N--CA 1.491 1.344 0 C-N-CA 122.34 2.027 . . . . 0.0 111.879 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -82.96 -34.15 26.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.738 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -142.01 60.42 10.86 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.803 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -78.86 -174.19 2.18 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.841 2.36 . . . . 0.0 111.951 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.54 12.86 3.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.349 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.0 t -138.45 67.63 45.38 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.252 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -44.71 -20.58 0.37 Allowed 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.874 2.382 . . . . 0.0 112.345 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -69.99 -46.97 64.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.586 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 85.2 mt -77.97 -46.28 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.805 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.98 -44.87 60.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.717 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -54.98 -52.08 64.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.678 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' A' ' 130' ' ' ASP . 57.0 mt -57.81 -56.18 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.581 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -55.36 -31.92 62.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.79 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.481 ' CB ' ' HZ1' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -71.02 -68.15 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.566 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 48.6 p -76.62 -42.22 43.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.219 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' A' ' 126' ' ' ILE . 36.6 m-20 -101.63 94.91 6.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.711 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 5.3 tpt85 -88.03 -30.86 19.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.624 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -74.12 -49.13 25.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.995 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -59.65 -57.23 13.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.728 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.467 ' C ' ' CD1' ' A' ' 134' ' ' TYR . 18.2 t80 -48.55 -44.2 36.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.632 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -54.47 -31.01 54.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.793 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 36.2 ttt85 -76.78 -48.76 17.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.817 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 4.4 mm -56.92 -44.48 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.638 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.604 ' HG ' ' CG ' ' A' ' 44' ' ' PRO . 90.2 p -47.77 -53.09 16.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.055 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -78.78 -33.18 46.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.22 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -50.83 -47.04 60.2 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.796 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' TRP . . . . . 0.443 ' CE3' ' CE2' ' A' ' 145' ' ' TYR . 27.7 m95 -74.17 -42.12 60.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.639 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 22.9 m -58.5 -18.61 30.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.955 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -75.94 -37.59 58.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.86 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -101.27 -18.94 15.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.205 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . 0.443 ' CE2' ' CE3' ' A' ' 141' ' ' TRP . 71.7 m-85 -109.26 19.26 19.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.6 -179.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -166.53 5.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.666 -0.413 . . . . 0.0 110.821 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 14.3 mtm . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.396 179.867 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.505 ' N ' ' O ' ' B' ' 17' ' ' VAL . 5.2 ptt? . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -84.96 134.33 34.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.686 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.8 pt -132.34 160.97 42.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.414 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -96.98 133.08 42.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.458 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 59.6 t -123.32 103.0 12.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.528 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -85.54 130.02 34.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.46 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.532 ' OG1' ' N ' ' B' ' 11' ' ' LYS . 35.5 p -86.99 176.62 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.874 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tt -75.03 -39.17 61.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.047 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.2 p -69.33 -18.29 63.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.647 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.98 -8.18 21.43 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.532 ' N ' ' OG1' ' B' ' 7' ' ' THR . 1.2 tmtp? -63.73 134.19 54.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.718 0.294 . . . . 0.0 110.346 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 60.5 m -127.74 131.61 49.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.783 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 9.0 pt -148.43 147.18 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.45 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 32.1 p -74.56 142.72 44.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.52 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 tp -127.55 134.97 49.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.312 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -88.4 119.39 28.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.526 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' B' ' 1' ' ' MET . 3.9 t -143.5 166.78 13.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.635 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -120.45 155.75 56.18 Favored Pre-proline 0 C--N 1.332 -0.166 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.925 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.35 -32.88 40.18 Favored 'Trans proline' 0 C--N 1.308 -1.586 0 C-N-CA 122.653 2.235 . . . . 0.0 112.46 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.7 m -86.42 -17.08 35.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.007 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -57.85 129.83 43.71 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.35 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.67 140.91 49.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.343 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 67.3 mt -55.0 -39.69 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.423 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -48.92 -30.01 5.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.562 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -79.91 -34.28 39.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.721 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 86.2 t -53.04 -41.05 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.366 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.419 ' NZ ' ' OD1' ' B' ' 52' ' ' ASP . 1.7 mptm? -57.31 -41.84 80.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.426 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.06 -46.24 85.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.711 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 52.1 mttm -56.16 -53.89 51.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.653 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 4.4 mm -47.99 -42.8 10.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.732 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.421 ' HA ' ' H ' ' B' ' 36' ' ' ILE . 37.3 tt0 -60.21 -54.3 47.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.323 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -60.21 -28.62 68.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.575 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -83.24 -66.0 0.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.502 ' OE2' ' CG2' ' B' ' 7' ' ' THR . 6.2 mt-10 -85.9 -37.47 19.07 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -178.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.76 67.07 0.87 Allowed Glycine 0 CA--C 1.528 0.894 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.978 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.422 ' CD1' ' N ' ' B' ' 36' ' ' ILE . 0.0 OUTLIER -139.68 106.0 6.97 Favored Pre-proline 0 CA--C 1.532 0.275 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.143 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.455 ' C ' ' H ' ' B' ' 39' ' ' ASP . 50.4 Cg_exo -51.17 115.8 2.27 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 121.991 1.794 . . . . 0.0 112.21 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -47.37 -12.17 0.11 Allowed 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.536 2.157 . . . . 0.0 112.439 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.455 ' H ' ' C ' ' B' ' 37' ' ' PRO . 20.5 m-20 -60.32 -28.3 68.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.303 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -130.24 -1.86 4.51 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.499 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -95.6 136.41 36.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.007 0.432 . . . . 0.0 111.13 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.676 ' HE ' ' NH2' ' B' ' 72' ' ' ARG . 0.3 OUTLIER -145.15 146.72 31.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.894 179.466 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.7 mp -108.37 157.45 18.38 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.984 0.421 . . . . 0.0 110.748 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 11.7 mt -144.01 130.43 16.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.409 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.411 ' O ' ' N ' ' B' ' 48' ' ' LYS . 60.7 t80 -111.92 130.23 55.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.499 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.13 33.52 7.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.495 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.6 18.72 80.01 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' B' ' 45' ' ' PHE . 80.5 mttt -122.73 117.96 26.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.775 0.322 . . . . 0.0 110.534 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -56.3 130.35 44.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.439 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.475 ' CD1' ' N ' ' B' ' 50' ' ' LEU . 8.7 mp -68.11 -178.95 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.569 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.526 ' OE1' ' NE ' ' B' ' 54' ' ' ARG . 91.8 mt-10 -132.68 116.47 16.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.366 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.419 ' OD1' ' NZ ' ' B' ' 27' ' ' LYS . 3.9 m-20 -61.67 -21.87 64.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.96 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.97 -67.71 1.92 Allowed Glycine 0 CA--C 1.528 0.846 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.099 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.526 ' NE ' ' OE1' ' B' ' 51' ' ' GLU . 9.5 ptp180 -76.75 174.02 10.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.996 0.427 . . . . 0.0 111.297 -178.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.447 ' O ' ' OD1' ' B' ' 58' ' ' ASP . 16.9 p -91.41 -173.46 3.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.78 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 13.3 mt -80.34 -21.74 42.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.763 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.415 ' OG ' ' OG1' ' B' ' 55' ' ' THR . 35.5 p -53.89 -38.89 65.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.044 -179.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' B' ' 55' ' ' THR . 0.1 OUTLIER -66.94 -33.68 76.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.752 -179.727 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.504 ' C ' ' H ' ' B' ' 61' ' ' ILE . 35.0 m-85 -81.41 15.7 1.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.587 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 55.52 6.12 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.809 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.504 ' H ' ' C ' ' B' ' 59' ' ' TYR . 50.2 mt -75.59 121.61 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.237 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -163.05 92.26 0.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.77 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 44.4 tttt 66.98 148.96 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.748 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 51.28 33.65 10.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 84.6 p -105.12 134.1 48.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.608 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 26.4 m -101.84 113.88 27.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.424 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 10.7 mt -102.6 132.44 48.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.67 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -89.03 110.69 21.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.342 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.4 tp -77.54 142.11 39.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.628 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 33.1 t -135.74 112.02 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.208 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.7 tt -94.22 111.71 23.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.732 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.676 ' NH2' ' HE ' ' B' ' 42' ' ' ARG . 30.4 ttm-85 -81.39 158.81 24.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.115 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 2.5 mp -135.39 -157.3 0.78 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.593 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 62.46 135.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.603 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.34 -5.73 0.06 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.774 0 CA-C-O 118.035 -1.425 . . . . 0.0 110.932 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.452 ' CD1' ' N ' ' A' ' 3' ' ' LEU . 10.0 mp -50.27 -31.56 14.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.44 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -64.77 -45.08 87.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.294 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -71.23 -38.08 71.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.386 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 75.6 mt -68.42 -38.95 80.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.439 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.481 ' O ' ' ND2' ' A' ' 7' ' ' ASN . 0.5 OUTLIER -62.5 -21.03 65.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.455 179.839 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.7 tttt -60.94 -47.31 87.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.406 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.416 ' N ' ' CD ' ' A' ' 9' ' ' GLU . 23.1 mp0 -59.55 -52.04 67.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.613 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.93 -33.72 18.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.324 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.0 t -61.27 -38.93 88.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.471 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.31 -51.35 63.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.454 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.418 ' N ' ' CD1' ' A' ' 13' ' ' LEU . 9.0 mp -54.92 -27.88 46.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.151 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.54 -16.87 60.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.265 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 56.9 mtp85 -100.71 -57.08 2.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.79 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.41 ' OD2' ' O ' ' A' ' 16' ' ' ASP . 6.4 p-10 -161.77 89.1 1.49 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.952 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -55.07 161.42 6.66 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.513 2.142 . . . . 0.0 111.453 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 21' ' ' CYS . 18.9 Cg_endo -60.28 129.97 32.12 Favored 'Trans proline' 0 C--N 1.307 -1.631 0 C-N-CA 122.368 2.046 . . . . 0.0 111.584 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.14 -52.14 13.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.066 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -60.62 -56.04 26.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.791 0.329 . . . . 0.0 110.663 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.64 ' SG ' ' N ' ' A' ' 22' ' ' SER . 19.4 t -107.37 168.11 9.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.64 ' N ' ' SG ' ' A' ' 21' ' ' CYS . 1.8 p -121.61 169.94 10.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.88 0.371 . . . . 0.0 110.652 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.73 159.42 5.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.487 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.06 116.81 0.46 Allowed Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -80.58 148.14 17.97 Favored 'Trans proline' 0 N--CA 1.49 1.316 0 C-N-CA 122.321 2.014 . . . . 0.0 112.134 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.4 t -69.28 111.32 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.529 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -44.13 -25.91 0.79 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.52 -61.82 1.74 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.781 0.324 . . . . 0.0 110.644 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -142.41 149.59 39.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.638 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -88.02 52.37 2.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.521 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -141.13 8.54 2.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.29 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -134.17 120.87 20.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.865 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 40.9 m95 -124.71 143.58 50.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.703 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -128.55 159.9 34.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.387 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -158.62 141.16 14.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.708 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.445 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 3.9 m -125.01 154.81 40.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.426 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.5 pt -139.97 125.47 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.628 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.591 ' SD ' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -91.31 131.45 36.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.403 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.591 ' N ' ' SD ' ' A' ' 38' ' ' MET . . . -40.66 123.0 2.26 Favored Glycine 0 CA--C 1.531 1.086 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.26 161.66 31.88 Favored 'Trans proline' 0 N--CA 1.492 1.416 0 C-N-CA 122.209 1.939 . . . . 0.0 112.073 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -83.21 46.59 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.527 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.416 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 23.9 t70 -161.21 23.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.51 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.6 t -152.97 142.98 15.2 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.216 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -70.18 64.18 2.04 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.314 2.009 . . . . 0.0 111.92 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -150.77 -1.25 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.348 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -46.47 149.21 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.499 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.5 35.33 63.01 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -150.87 138.5 6.66 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.4 m -115.19 148.17 18.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.795 0.331 . . . . 0.0 110.56 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.581 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 1.9 m-85 -137.54 138.23 39.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.455 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.432 ' O ' ' OG1' ' A' ' 70' ' ' THR . 61.1 m-85 -101.31 138.16 38.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.475 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.02 112.46 16.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.093 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.73 131.29 36.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.408 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.7 mp -113.62 112.79 41.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.577 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -78.0 132.83 37.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.306 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -109.33 105.42 57.18 Favored Pre-proline 0 CA--C 1.532 0.251 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.83 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -83.75 167.14 13.16 Favored 'Trans proline' 0 C--N 1.312 -1.359 0 C-N-CA 122.427 2.084 . . . . 0.0 111.691 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.9 p -63.94 -34.78 78.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.913 0.387 . . . . 0.0 110.412 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -84.57 23.79 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.664 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.579 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 80.0 t80 -54.62 -37.54 56.19 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.081 -179.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 60' ' ' TYR . 17.7 Cg_exo -64.49 -14.75 46.1 Favored 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 121.982 1.788 . . . . 0.0 112.407 -179.271 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -123.21 -49.39 1.94 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.81 0.338 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.79 133.59 26.35 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.205 -179.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -69.89 161.34 46.32 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 122.204 1.936 . . . . 0.0 112.291 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.17 166.1 30.89 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.657 2.238 . . . . 0.0 112.264 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 48.1 tttm -108.83 84.0 1.85 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.415 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.7 p -81.02 148.1 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -151.12 145.9 25.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.541 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.76 114.14 8.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.232 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 51' ' ' PHE . 56.6 p -64.74 -19.97 66.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.668 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 p -123.23 148.78 45.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.532 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -79.51 123.16 27.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.148 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 14.7 tt -134.59 120.86 33.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.587 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.21 98.74 0.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.233 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.538 ' ND1' ' OD1' ' A' ' 77' ' ' ASN . 1.6 t-80 -152.13 121.02 3.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.178 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.518 ' C ' ' H ' ' A' ' 78' ' ' ILE . 84.5 Cg_exo -43.22 -51.75 5.47 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 C-N-CA 122.239 1.959 . . . . 0.0 112.343 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.538 ' OD1' ' ND1' ' A' ' 75' ' ' HIS . 1.3 p30 -65.54 6.58 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.518 ' H ' ' C ' ' A' ' 76' ' ' PRO . 10.4 mt -148.21 115.87 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.654 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.46 ' CG ' ' H ' ' A' ' 80' ' ' SER . 18.4 t-20 -78.47 -157.33 0.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.558 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.46 ' H ' ' CG ' ' A' ' 79' ' ' ASN . 8.4 t -88.76 -26.2 21.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.744 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -73.03 3.67 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.576 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.22 5.26 87.3 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.7 m -56.41 143.67 33.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.332 . . . . 0.0 110.541 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 6.3 mt -131.25 130.06 63.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.516 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 12.2 t -94.66 112.76 24.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.655 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.9 mt -130.51 145.64 51.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.03 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -65.73 -52.07 54.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.912 -179.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.42 HD11 HG23 ' A' ' 88' ' ' ILE . 0.1 OUTLIER -58.97 -20.4 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.566 -178.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.419 ' H ' HD12 ' A' ' 88' ' ' ILE . 4.0 tp -90.67 27.89 1.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 110.44 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -140.42 -102.18 0.15 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 27.3 p -97.91 -17.14 19.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.642 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -87.75 18.53 3.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.659 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 72.1 t-105 -76.02 151.59 37.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.173 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.4 m -142.66 126.38 9.54 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.62 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -45.82 -35.84 14.2 Favored 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 122.179 1.919 . . . . 0.0 112.134 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.83 5.55 51.3 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.966 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.3 tt -43.9 149.69 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.468 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.7 p -105.95 131.98 52.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.474 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.413 ' CG2' ' N ' ' A' ' 100' ' ' SER . 9.7 tp -48.82 -40.02 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.946 0.403 . . . . 0.0 110.12 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.413 ' N ' ' CG2' ' A' ' 99' ' ' ILE . 10.3 t -59.8 -15.28 19.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.763 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -82.41 -34.94 28.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.356 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.7 t -68.84 -54.4 20.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.671 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.19 -37.54 80.54 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.3 -179.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.84 -41.29 91.07 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.324 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.0 m -54.2 -22.01 10.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.823 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.2 mm -69.13 -55.44 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.448 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 111' ' ' CYS . 12.4 t -50.97 -50.19 58.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.552 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 46.7 m -53.91 -33.92 58.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.626 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.52 ' CD1' HD21 ' A' ' 77' ' ' ASN . 0.1 OUTLIER -72.33 -49.62 33.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.473 -179.879 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 39.1 mt -69.35 -28.26 66.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.572 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 107' ' ' CYS . 81.1 m -69.73 -8.45 48.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.474 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -153.79 90.31 3.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.45 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -79.3 80.97 2.92 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.436 2.091 . . . . 0.0 112.089 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -95.97 111.17 55.28 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.447 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -79.12 46.31 2.16 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 122.248 1.965 . . . . 0.0 111.99 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.53 -39.33 13.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.649 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -141.44 62.38 15.37 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.692 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -79.96 -177.1 3.58 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.904 2.403 . . . . 0.0 112.031 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 78.9 mt -101.1 -38.14 8.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.595 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.3 t -116.49 84.17 14.47 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.538 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -47.43 -18.02 0.73 Allowed 'Trans proline' 0 C--N 1.309 -1.54 0 C-N-CA 122.485 2.123 . . . . 0.0 112.017 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -63.85 -41.75 97.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.476 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 43.2 mt -75.18 -32.64 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.445 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.17 -45.8 86.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.689 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -54.96 -35.48 64.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.547 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 130' ' ' ASP . 37.2 mt -69.78 -56.07 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.442 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.528 ' O ' ' NH1' ' A' ' 131' ' ' ARG . 68.3 t80 -62.6 -31.62 72.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.753 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -50.8 -50.77 55.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.37 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 13.6 p -127.61 -39.84 1.8 Allowed 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 121.081 -0.248 . . . . 0.0 111.218 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 126' ' ' ILE . 38.3 t0 -79.96 98.25 7.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.829 0.347 . . . . 0.0 110.847 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.528 ' NH1' ' O ' ' A' ' 127' ' ' TYR . 0.2 OUTLIER -95.37 -40.59 9.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.281 179.709 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.99 -48.99 52.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.828 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 136' ' ' ARG . 49.7 tttp -69.84 -52.86 21.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.479 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -48.38 -27.67 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.461 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -74.92 -29.83 61.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.414 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 133' ' ' LYS . 12.9 ttm-85 -72.7 -50.16 26.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.94 -49.16 84.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 110.706 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.473 ' O ' ' OG1' ' A' ' 142' ' ' THR . 68.3 m -45.96 -48.11 16.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.923 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 42.5 mtp85 -79.11 -40.55 30.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.202 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -51.01 -41.05 59.55 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.94 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -84.82 -5.69 59.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.903 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 138' ' ' SER . 29.5 m -82.5 -60.28 2.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.911 0.386 . . . . 0.0 110.504 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -62.11 -31.35 71.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.625 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -48.53 -52.11 24.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.187 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -133.02 -33.15 1.17 Allowed 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.425 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 142' ' ' THR . . . -71.72 58.2 0.31 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.905 0.383 . . . . 0.0 110.757 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 2.3 mtm . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.296 179.862 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 39.3 mtm . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -123.42 101.52 7.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.419 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 26.4 pt -97.97 -175.91 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.368 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -126.45 129.14 48.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.886 0.374 . . . . 0.0 110.741 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 89.7 t -107.94 108.76 26.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.405 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.0 tttm -84.91 135.74 33.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.724 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' B' ' 11' ' ' LYS . 16.4 m -104.54 152.19 22.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.404 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 tp -56.48 -31.85 64.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.48 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 2.8 m -78.82 1.47 23.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.539 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.93 0.36 85.73 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.431 ' O ' ' OG1' ' B' ' 7' ' ' THR . 0.7 OUTLIER -74.53 101.27 4.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.86 0.362 . . . . 0.0 110.354 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 32.7 m -94.29 141.86 28.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.456 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.408 HG12 ' HZ3' ' B' ' 33' ' ' LYS . 9.5 tt -151.08 147.04 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.625 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 18.9 p -87.8 130.84 34.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.842 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 8.8 tp -104.85 145.48 30.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.534 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -107.19 109.23 21.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.465 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 12.7 p -155.41 161.26 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.637 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.59 162.21 32.14 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.37 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.99 -16.16 25.82 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.732 2.288 . . . . 0.0 112.437 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.7 t -100.76 7.02 44.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.803 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -80.22 140.21 36.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.46 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 13.0 p -81.6 141.16 33.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.659 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 29.3 mm -49.29 -33.54 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.526 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -48.9 -37.16 18.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.27 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -83.79 -38.44 21.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.641 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 46.0 t -52.94 -48.1 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.366 . . . . 0.0 110.376 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.524 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 75.8 mttt -55.27 -48.97 73.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.38 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.87 -33.86 73.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.305 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.4 tptp -57.75 -49.37 76.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.246 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 64.8 mt -66.75 -31.99 55.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.607 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' B' ' 35' ' ' GLY . 5.5 tm0? -66.56 -54.52 22.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -60.51 -28.85 68.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.91 0.386 . . . . 0.0 110.375 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.408 ' HZ3' HG12 ' B' ' 13' ' ' ILE . 9.2 tttt -55.07 -66.09 0.47 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.915 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -105.14 -37.2 7.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.119 -179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . 123.73 31.71 0.93 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 22.4 mt -91.99 114.06 60.9 Favored Pre-proline 0 C--N 1.328 -0.338 0 N-CA-C 110.516 -0.179 . . . . 0.0 110.516 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.27 148.69 18.2 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 122.012 1.808 . . . . 0.0 111.716 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -70.71 -20.4 30.41 Favored 'Trans proline' 0 C--N 1.309 -1.525 0 C-N-CA 122.656 2.238 . . . . 0.0 112.51 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -87.09 -1.88 58.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.213 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -116.98 -1.9 11.86 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.042 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' B' ' 27' ' ' LYS . 0.7 OUTLIER -127.65 94.22 3.91 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.772 0.32 . . . . 0.0 110.696 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -97.56 126.4 42.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.299 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.497 ' N ' ' CD1' ' B' ' 43' ' ' LEU . 8.9 mp -85.91 153.56 22.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.695 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 10.2 mt -144.16 128.0 12.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.374 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -118.44 129.68 55.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.55 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.9 28.9 11.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.682 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.36 28.08 58.47 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -134.73 137.76 43.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.808 0.337 . . . . 0.0 110.572 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.62 137.42 49.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.377 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.552 ' CD1' ' N ' ' B' ' 50' ' ' LEU . 7.0 mp -80.72 177.04 9.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.526 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -127.05 136.11 51.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.314 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.7 p30 -60.18 -19.19 52.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.895 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.74 -18.88 39.22 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.764 -0.535 . . . . 0.0 111.764 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.433 ' CB ' ' OH ' ' B' ' 59' ' ' TYR . 0.3 OUTLIER -76.84 166.23 23.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.944 0.402 . . . . 0.0 110.679 -179.724 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 7.4 p -121.17 174.91 6.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.21 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 mp -68.94 -43.89 74.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.104 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 24.3 p -54.06 -28.92 41.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.608 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -58.55 -45.17 89.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.635 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.433 ' OH ' ' CB ' ' B' ' 54' ' ' ARG . 2.6 m-85 -95.05 19.02 11.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.421 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 72.88 -74.08 0.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.918 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 18.7 mm 51.26 93.28 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.344 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.442 ' O ' ' O ' ' B' ' 63' ' ' LYS . 18.8 mm100 -97.58 54.79 1.19 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.923 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' B' ' 62' ' ' GLN . 23.3 ttmt 56.4 158.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 110.575 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 55.21 29.55 12.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.758 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 39.4 m -75.45 168.08 20.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.378 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.9 m -136.46 109.01 7.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.671 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 mp -102.22 156.43 17.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.26 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -98.3 123.64 42.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.611 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.412 ' C ' ' CD2' ' B' ' 69' ' ' LEU . 3.5 tt -108.27 113.78 27.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.282 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 5.1 t -105.97 143.43 16.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.74 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.428 ' CD1' ' N ' ' B' ' 71' ' ' LEU . 10.5 mp -94.44 152.01 18.93 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.509 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 48.5 ttt85 -105.42 98.77 8.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.482 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.26 158.74 38.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.308 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 17.5 ttp85 -168.25 72.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.677 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 166.89 37.85 0.02 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.775 0 CA-C-O 118.04 -1.422 . . . . 0.0 110.945 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.7 mt -67.78 -30.01 69.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.542 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.08 -39.96 63.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.568 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -65.41 -46.19 80.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.859 0.362 . . . . 0.0 110.09 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 73.4 mt -63.2 -45.25 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.559 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -52.94 -30.2 33.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.479 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -66.82 -33.92 76.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.496 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.519 ' OE2' ' N ' ' A' ' 99' ' ' ILE . 2.1 tt0 -69.56 -49.3 55.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.314 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.58 -23.37 6.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.126 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.1 t -63.25 -40.83 98.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.559 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -77.46 -37.12 52.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.555 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 tp -65.28 -61.04 2.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.526 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.92 -27.78 14.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.601 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -38.64 78.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.449 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -172.71 86.02 0.42 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.518 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -46.21 133.52 15.31 Favored 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.464 2.11 . . . . 0.0 111.94 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -51.32 127.69 23.04 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 122.024 1.816 . . . . 0.0 112.03 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.34 -32.98 61.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.948 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -80.45 -56.08 4.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.098 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.0 m -119.02 77.13 1.16 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.807 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.5 m -58.03 141.47 49.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.377 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.96 176.05 12.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.602 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.83 171.02 36.47 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -72.97 145.2 39.56 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.763 2.309 . . . . 0.0 112.042 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.541 ' CG2' HE21 ' A' ' 34' ' ' GLN . 5.0 t -79.42 150.58 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.566 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.59 -12.27 63.81 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -69.22 -54.71 13.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.876 0.369 . . . . 0.0 110.587 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -170.48 144.9 2.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.415 ' C ' ' H ' ' A' ' 32' ' ' HIS . 86.7 mmm -63.54 -17.09 62.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.615 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -74.19 8.53 2.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.56 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.415 ' H ' ' C ' ' A' ' 30' ' ' MET . 19.6 m80 -148.04 120.81 8.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.571 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -111.98 165.89 11.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.057 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.541 HE21 ' CG2' ' A' ' 26' ' ' VAL . 43.0 mt-30 -146.23 141.66 27.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.609 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.508 ' O ' ' CD1' ' A' ' 51' ' ' PHE . . . -123.75 173.22 8.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.165 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.461 ' HG1' ' C ' ' A' ' 35' ' ' ALA . 7.7 m -144.98 145.48 31.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.049 0.452 . . . . 0.0 110.869 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.9 pt -143.25 153.95 16.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.096 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 6.1 ttt -133.96 139.28 46.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.802 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.631 ' C ' ' H ' ' A' ' 41' ' ' ASN . . . -40.33 104.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 41' ' ' ASN . 50.2 Cg_exo -50.51 1.45 0.03 OUTLIER 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.389 2.059 . . . . 0.0 112.322 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.631 ' H ' ' C ' ' A' ' 39' ' ' GLY . 0.3 OUTLIER 82.78 29.83 0.1 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.907 0.384 . . . . 0.0 110.314 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -137.21 -19.15 1.28 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.392 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.0 m -103.03 146.82 33.13 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.424 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -40.68 -34.78 1.35 Allowed 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 122.565 2.177 . . . . 0.0 112.318 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -71.96 48.83 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -74.06 118.22 16.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.583 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.81 -34.69 4.26 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.5 128.61 45.84 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.8 m -92.15 145.64 7.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.715 0.293 . . . . 0.0 110.603 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -132.36 154.92 49.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.4 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.508 ' CD1' ' O ' ' A' ' 35' ' ' ALA . 0.1 OUTLIER -140.12 146.2 38.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.432 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.99 168.97 18.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.412 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.7 m -127.76 160.9 30.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.678 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.5 mp -137.79 133.6 45.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.415 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -112.08 152.82 27.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.646 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.468 ' N ' ' CD1' ' A' ' 56' ' ' PHE . 19.2 m-85 -120.63 138.03 27.02 Favored Pre-proline 0 CA--C 1.53 0.206 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.332 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.52 ' C ' ' H ' ' A' ' 59' ' ' ASP . 82.3 Cg_endo -77.78 131.89 11.55 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 C-N-CA 122.466 2.111 . . . . 0.0 111.99 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.7 p -55.1 -7.34 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.258 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.52 ' H ' ' C ' ' A' ' 57' ' ' PRO . 8.5 t70 -93.7 22.84 5.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.578 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.479 ' CG ' ' C ' ' A' ' 59' ' ' ASP . 1.2 m-85 72.53 151.94 0.14 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.521 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.5 ' C ' ' H ' ' A' ' 63' ' ' LYS . 4.1 Cg_endo -47.96 -20.46 2.07 Favored 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 122.442 2.095 . . . . 0.0 111.877 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -47.45 -15.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 109.977 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.5 ' H ' ' C ' ' A' ' 61' ' ' PRO . 10.5 mptt -109.91 134.33 20.7 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.886 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -52.33 117.6 3.78 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.007 1.805 . . . . 0.0 111.909 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -77.78 172.02 16.39 Favored 'Trans proline' 0 N--CA 1.491 1.324 0 C-N-CA 122.321 2.014 . . . . 0.0 112.13 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -110.21 128.02 55.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.597 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.5 m -104.51 115.98 47.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.343 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -105.15 161.67 14.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.688 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.98 111.47 13.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.38 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.4 p -64.47 -48.06 76.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.572 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.4 m -85.14 136.41 33.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.0 mtp180 -80.09 114.18 18.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.588 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 15.8 tt -112.12 126.94 69.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.262 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -76.57 96.48 4.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.67 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.459 ' O ' ' O ' ' A' ' 78' ' ' ILE . 1.2 t-80 -153.57 125.4 3.76 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.054 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -43.86 -46.88 10.42 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.482 2.121 . . . . 0.0 113.038 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.527 HD21 ' N ' ' A' ' 78' ' ' ILE . 0.4 OUTLIER -72.89 -7.87 52.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.63 -178.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.527 ' N ' HD21 ' A' ' 77' ' ' ASN . 30.6 mt -129.01 126.3 64.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 120.927 0.394 . . . . 0.0 110.918 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -90.68 166.06 13.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.587 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.4 p -73.84 -22.67 59.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.457 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -72.94 -10.12 59.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.521 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.94 23.38 13.47 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.9 m -86.12 136.77 33.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.788 0.328 . . . . 0.0 110.511 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 15.1 mt -137.44 128.99 40.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.581 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 6.1 p -104.24 113.11 26.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.646 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 41.7 mt -136.16 150.58 49.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.482 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.438 ' C ' ' H ' ' A' ' 89' ' ' LEU . 44.0 t0 -69.04 -52.3 30.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.989 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.408 HG23 ' HZ1' ' A' ' 101' ' ' LYS . 2.6 pp -53.19 -11.96 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.748 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.438 ' H ' ' C ' ' A' ' 87' ' ' ASP . 0.8 OUTLIER -79.03 -36.94 40.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.464 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 71.4 mtm180 -73.16 -164.9 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.792 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.501 ' C ' ' H ' ' A' ' 93' ' ' TRP . 49.5 m -41.75 -27.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.798 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -58.25 -4.02 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.523 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.501 ' H ' ' C ' ' A' ' 91' ' ' SER . 40.4 t-105 -73.14 102.93 3.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.503 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.505 ' C ' ' H ' ' A' ' 96' ' ' ALA . 2.7 m -86.53 118.84 70.88 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.565 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -49.52 -7.71 0.09 OUTLIER 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 122.35 2.034 . . . . 0.0 112.309 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.505 ' H ' ' C ' ' A' ' 94' ' ' SER . . . -114.72 28.95 8.36 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.328 -179.306 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.463 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 3.6 pp -104.03 152.03 22.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.718 0.294 . . . . 0.0 110.314 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.451 ' HG1' ' N ' ' A' ' 99' ' ' ILE . 8.2 t -101.94 157.3 16.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.97 0.414 . . . . 0.0 110.895 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.519 ' N ' ' OE2' ' A' ' 9' ' ' GLU . 1.6 tp -70.52 -22.36 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.719 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.8 m -52.97 -49.95 65.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.255 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.408 ' HZ1' HG23 ' A' ' 88' ' ' ILE . 2.1 pttp -63.72 -36.61 84.41 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.023 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 37.5 t -52.94 -33.84 19.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.655 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.1 mt -67.07 -45.47 77.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.584 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.502 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 3.7 mm? -60.02 -38.0 81.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.424 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.22 -48.31 62.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.351 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 72.4 mt -71.03 -53.99 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.525 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 20.0 t -50.97 -38.76 52.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.582 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.3 m -76.54 -30.13 56.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.57 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.1 tp -61.81 -36.07 80.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.526 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 40.7 mt -70.63 -32.07 69.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.354 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 10.7 t -75.03 -10.42 59.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.588 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 113' ' ' PRO . 40.2 t0 -157.6 72.22 4.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.44 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.426 ' O ' ' O ' ' A' ' 112' ' ' ASP . 78.1 Cg_exo -47.18 -176.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.852 2.368 . . . . 0.0 112.276 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -145.04 76.85 13.41 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.539 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -77.72 67.96 7.78 Favored 'Trans proline' 0 C--N 1.307 -1.606 0 C-N-CA 122.626 2.217 . . . . 0.0 111.975 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.423 ' O ' ' OD1' ' A' ' 117' ' ' ASP . 5.1 m-20 -154.66 -33.13 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.375 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 116' ' ' ASP . 2.5 m-20 -139.02 57.63 11.27 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.419 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -72.19 -175.58 1.8 Allowed 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.733 2.289 . . . . 0.0 112.049 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.3 tp -122.82 3.69 9.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.224 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.5 t -146.4 83.17 8.51 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.438 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -47.1 -24.77 3.66 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.653 2.235 . . . . 0.0 112.355 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -69.95 -52.06 27.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.548 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 83.1 mt -68.06 -41.89 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.499 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.28 -39.98 76.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.571 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 -54.89 -37.1 65.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.491 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.431 ' O ' ' O ' ' A' ' 130' ' ' ASP . 15.6 mm -69.34 -56.05 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.786 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -60.04 -31.51 70.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.205 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 18.0 tptt -50.62 -68.08 0.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.194 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.662 ' HG1' ' N ' ' A' ' 130' ' ' ASP . 8.0 p -107.1 -42.18 4.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.636 0.255 . . . . 0.0 111.254 -179.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.662 ' N ' ' HG1' ' A' ' 129' ' ' THR . 3.0 m-20 -82.98 83.47 7.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.738 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 29.3 mmm-85 -91.36 -46.43 8.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.514 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -57.12 -41.48 79.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.569 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -75.26 -30.25 60.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.615 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -47.99 -46.19 32.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.547 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.449 ' N ' HD21 ' A' ' 135' ' ' ASN . 2.4 m120 -60.74 -37.18 80.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.581 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -53.88 -48.67 69.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.595 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.535 ' N ' ' CD1' ' A' ' 137' ' ' ILE . 1.5 mp -69.12 -30.8 47.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.307 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.7 m -72.19 -62.96 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.995 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -25.76 31.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.806 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -72.35 -50.16 28.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.288 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' TRP . . . . . 0.438 ' O ' ' N ' ' A' ' 145' ' ' TYR . 11.4 m95 -68.62 -16.18 63.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.653 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 25.7 m -65.57 -39.23 91.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.9 0.381 . . . . 0.0 110.844 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -76.5 -31.89 57.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.18 -0.464 . . . . 0.0 112.088 -179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.41 ' H ' ' HG2' ' A' ' 144' ' ' LYS . 26.8 pttt -101.27 -18.76 15.96 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 141' ' ' TRP . 41.6 m-85 -128.6 19.43 6.21 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.87 -179.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -158.85 22.6 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.016 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 17.1 mmt . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.368 179.625 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.4 ttm . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -160.18 138.11 9.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.37 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.527 ' CD1' ' N ' ' B' ' 3' ' ' ILE . 0.1 OUTLIER -147.57 166.72 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.658 179.802 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -93.9 146.79 23.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 98.8 t -123.3 102.86 12.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.334 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -83.23 142.33 31.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.504 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.4 m -121.34 160.23 24.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.416 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 tp -65.55 -23.22 66.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.55 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 34.3 p -79.72 1.94 24.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.578 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.62 3.38 86.32 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 25.7 tptt -75.66 135.39 40.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.937 0.399 . . . . 0.0 110.546 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 5.2 m -134.05 107.83 7.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.859 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 13.0 tt -131.53 144.41 37.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.748 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.498 ' O ' ' NZ ' ' B' ' 33' ' ' LYS . 43.1 p -75.69 146.27 40.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.439 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.421 HD13 ' N ' ' B' ' 16' ' ' GLU . 0.6 OUTLIER -122.15 124.72 44.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.057 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.421 ' N ' HD13 ' B' ' 15' ' ' LEU . 48.6 mt-10 -84.51 125.63 32.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.845 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.537 ' CG2' ' H ' ' B' ' 18' ' ' GLU . 13.6 p -149.5 174.43 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.808 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.537 ' H ' ' CG2' ' B' ' 17' ' ' VAL . 36.8 mt-10 -131.93 142.77 46.36 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.252 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -45.15 -34.24 9.26 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 122.483 2.122 . . . . 0.0 112.726 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 15.5 p -84.76 7.07 21.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.047 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -82.83 137.88 34.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.529 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 4.0 m -94.14 140.77 29.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.45 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.1 mm -42.54 -50.17 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.637 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -48.66 -37.5 18.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.808 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -79.54 -42.39 25.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.7 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 38.4 t -53.07 -43.81 49.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.562 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.815 ' N ' ' HZ1' ' B' ' 27' ' ' LYS . 0.1 OUTLIER -61.22 -31.53 71.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.888 0.375 . . . . 0.0 110.136 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.48 -27.92 69.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.03 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -54.55 13.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.447 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 84.1 mt -56.86 -41.8 76.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.593 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.539 ' O ' ' N ' ' B' ' 35' ' ' GLY . 32.4 mt-30 -50.88 -50.79 56.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.628 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -75.55 -28.95 59.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.06 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.498 ' NZ ' ' O ' ' B' ' 14' ' ' THR . 21.1 tttt -72.64 -16.72 61.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.209 -179.136 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -129.09 -37.18 1.7 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.749 0.309 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . 100.97 15.02 29.71 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 34.1 mt -95.49 112.35 58.54 Favored Pre-proline 0 C--N 1.329 -0.293 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -51.47 154.0 9.43 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.051 1.834 . . . . 0.0 112.169 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -73.43 -7.84 20.92 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.907 2.405 . . . . 0.0 112.412 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.419 ' O ' ' OD1' ' B' ' 39' ' ' ASP . 56.8 t0 -60.35 -16.4 34.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.571 -179.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -130.21 -29.03 2.07 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.647 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -70.92 124.72 24.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.068 0.461 . . . . 0.0 111.433 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.404 ' HB3' HH11 ' B' ' 42' ' ' ARG . 5.8 ptm85 -145.15 123.76 12.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.458 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 tp -86.01 149.05 25.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.167 0.508 . . . . 0.0 111.396 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 16.4 mt -141.57 136.74 31.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.253 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -112.64 120.86 42.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.388 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.43 29.43 15.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.417 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.1 -19.84 36.5 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -87.96 128.68 35.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.796 0.331 . . . . 0.0 110.623 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -60.51 137.89 58.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.55 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.3 mt -82.09 125.67 31.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.544 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -53.13 117.2 2.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.307 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -58.4 -39.46 79.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.904 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.55 59.35 2.57 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.452 -0.659 . . . . 0.0 111.452 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 8.2 mmt85 -148.15 164.09 34.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.788 0.328 . . . . 0.0 110.32 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 22.3 p -116.12 152.02 34.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.44 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' B' ' 60' ' ' ASN . 3.9 mm? -57.03 -32.41 66.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.403 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 7.4 t -53.88 -30.61 46.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.367 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -84.9 -43.07 14.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.427 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -75.88 -12.55 60.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.19 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' B' ' 56' ' ' LEU . 7.8 t-20 70.35 -81.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.72 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.437 ' C ' ' O ' ' B' ' 60' ' ' ASN . 68.4 mt 35.05 87.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.694 0.283 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -68.94 176.46 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.697 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -58.01 158.4 6.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.546 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 65.04 47.47 2.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.666 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.0 m -104.98 149.29 25.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.541 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.9 m -107.4 108.97 20.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.611 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 10.8 mt -105.5 150.28 25.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.36 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -95.97 141.97 28.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.921 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.417 ' C ' ' CD2' ' B' ' 69' ' ' LEU . 2.4 tt -129.46 111.71 13.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.223 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -119.43 138.35 50.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.397 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.489 ' CD1' ' N ' ' B' ' 71' ' ' LEU . 7.8 mp -97.07 121.92 39.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.582 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -87.04 85.9 7.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.259 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.461 ' H ' HD11 ' B' ' 73' ' ' LEU . 3.8 mp -52.69 121.99 8.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.72 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -146.04 114.58 6.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.212 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -160.37 -30.58 0.02 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.741 0 CA-C-O 117.952 -1.471 . . . . 0.0 110.93 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 mt -51.84 -47.94 64.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.7 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.607 ' H ' ' CD ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -59.46 -36.23 75.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.744 -179.778 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 74.4 mtt-85 -75.4 -50.62 15.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.841 0.353 . . . . 0.0 110.433 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 78.6 mt -52.88 -38.98 29.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.572 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -60.92 -25.43 66.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.75 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -64.0 -49.88 70.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.589 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -57.53 -42.09 82.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.527 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -31.55 67.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.348 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.2 m -59.88 -26.98 66.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.455 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -73.49 -48.73 31.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.536 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.4 mt -70.59 -25.15 62.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.471 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.41 -16.88 60.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.512 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -93.92 -51.35 4.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.424 ' OD2' ' O ' ' A' ' 16' ' ' ASP . 4.3 p-10 -167.63 90.33 0.7 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.818 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -54.1 158.95 8.33 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 122.557 2.172 . . . . 0.0 111.876 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' A' ' 21' ' ' CYS . 54.6 Cg_endo -71.11 137.87 32.43 Favored 'Trans proline' 0 C--N 1.309 -1.528 0 C-N-CA 122.585 2.19 . . . . 0.0 112.002 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.04 -44.0 50.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.683 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -57.56 -54.51 45.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.674 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.433 ' O ' ' O ' ' A' ' 18' ' ' PRO . 10.8 p -113.64 -166.13 1.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.615 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.8 m -157.32 155.71 31.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.491 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.81 161.87 6.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.803 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.49 135.07 1.87 Allowed Glycine 0 CA--C 1.531 1.077 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.68 147.81 31.94 Favored 'Trans proline' 0 N--CA 1.492 1.421 0 C-N-CA 122.33 2.02 . . . . 0.0 112.153 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.2 m -92.01 133.73 32.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.37 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.502 ' C ' ' H ' ' A' ' 29' ' ' ASP . . . -57.04 -178.38 0.49 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.432 ' N ' ' OD1' ' A' ' 28' ' ' ASP . 0.6 OUTLIER 69.35 -10.44 0.55 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.694 0.283 . . . . 0.0 110.798 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.502 ' H ' ' C ' ' A' ' 27' ' ' GLY . 8.6 t70 -172.7 116.28 0.31 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.843 0.354 . . . . 0.0 110.853 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.95 -7.37 58.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.402 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.453 ' N ' ' OD1' ' A' ' 29' ' ' ASP . 6.3 m-85 -89.39 24.48 2.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.49 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.442 ' ND1' ' OD1' ' A' ' 29' ' ' ASP . 32.0 m80 -144.25 120.88 11.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.408 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -120.86 163.15 18.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.508 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 -132.76 174.2 10.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.475 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -162.78 124.04 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.531 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.9 m -113.33 124.91 53.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.478 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 67.3 mt -130.52 157.19 42.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.499 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.499 ' O ' ' SD ' ' A' ' 38' ' ' MET . 3.5 ppp? -133.52 130.3 38.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.434 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.593 ' O ' ' O ' ' A' ' 40' ' ' PRO . . . -48.26 128.34 17.97 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.593 ' O ' ' O ' ' A' ' 39' ' ' GLY . 89.9 Cg_exo -40.59 -116.73 0.0 OUTLIER 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 122.852 2.368 . . . . 0.0 112.896 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.4 ' C ' ' H ' ' A' ' 43' ' ' SER . 19.8 t-20 -128.61 -60.3 1.11 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.65 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -81.5 28.74 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.657 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.4 ' H ' ' C ' ' A' ' 41' ' ' ASN . 0.3 OUTLIER -96.53 155.11 38.24 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.352 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.479 ' C ' ' H ' ' A' ' 46' ' ' GLN . 55.8 Cg_endo -71.22 -53.96 0.17 Allowed 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 122.521 2.147 . . . . 0.0 111.977 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -77.32 22.4 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.418 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.514 ' C ' ' NE2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -64.92 150.89 47.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.505 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.497 ' O ' ' SD ' ' A' ' 147' ' ' MET . . . 83.36 21.26 58.84 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -136.99 161.64 25.16 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -108.02 152.67 9.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.767 0.318 . . . . 0.0 110.502 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -118.48 168.89 10.24 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.64 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -140.07 149.39 43.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.394 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.9 mt -147.71 163.0 38.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.406 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.14 106.73 3.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.333 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.1 mp -101.47 106.57 19.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -80.04 154.88 27.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.637 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.603 ' CE2' ' CE2' ' A' ' 60' ' ' TYR . 19.6 m-85 -122.71 105.74 35.26 Favored Pre-proline 0 CA--C 1.531 0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.598 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -75.29 157.02 41.75 Favored 'Trans proline' 0 C--N 1.313 -1.316 0 C-N-CA 122.074 1.849 . . . . 0.0 111.855 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -48.97 -28.58 3.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.94 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -101.47 23.29 11.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.084 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.603 ' CE2' ' CE2' ' A' ' 56' ' ' PHE . 18.4 t80 -44.3 -53.15 14.74 Favored Pre-proline 0 C--N 1.328 -0.362 0 C-N-CA 120.979 -0.289 . . . . 0.0 111.246 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 60' ' ' TYR . 11.2 Cg_endo -54.13 -13.67 5.19 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 122.28 1.987 . . . . 0.0 112.708 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -119.11 -49.5 2.4 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 121.031 -0.268 . . . . 0.0 111.093 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.491 ' CB ' ' NZ ' ' A' ' 63' ' ' LYS . 7.9 mtmp? -97.77 148.08 33.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.83 159.44 52.8 Favored 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 122.43 2.087 . . . . 0.0 111.869 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.91 171.64 17.77 Favored 'Trans proline' 0 C--N 1.308 -1.595 0 C-N-CA 122.701 2.267 . . . . 0.0 112.058 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -108.93 86.14 2.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.147 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.0 p -81.15 148.1 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.76 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -153.7 120.75 5.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.535 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.528 ' O ' ' NH2' ' A' ' 72' ' ' ARG . 0.2 OUTLIER -74.51 108.85 7.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.358 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.6 p -62.13 -31.52 72.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.48 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.3 p -89.7 124.85 34.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.555 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.528 ' NH2' ' O ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -72.78 88.93 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.259 179.842 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 16.2 tt -97.95 144.65 10.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.455 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -98.92 101.98 13.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.531 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.521 ' CD2' ' OH ' ' A' ' 134' ' ' TYR . 1.1 t-80 -146.69 132.42 9.34 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.132 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -43.11 -52.11 5.08 Favored 'Trans proline' 0 C--N 1.312 -1.372 0 C-N-CA 122.449 2.099 . . . . 0.0 112.618 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' A' ' 85' ' ' CYS . 8.0 t-20 -76.09 -0.61 22.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.361 -179.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.42 ' O ' ' O ' ' A' ' 75' ' ' HIS . 5.3 mm -126.04 166.11 22.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.805 0.336 . . . . 0.0 110.369 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 54.0 p30 -144.55 -176.27 4.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.563 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.6 m -85.08 -18.26 34.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.676 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.678 ' N ' HD21 ' A' ' 81' ' ' ASN . 0.6 OUTLIER -73.16 -15.71 61.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.591 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.05 11.1 68.0 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t -86.98 109.47 19.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.73 0.3 . . . . 0.0 110.596 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.2 mp -98.07 133.76 38.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.538 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.427 ' O ' ' OD1' ' A' ' 77' ' ' ASN . 11.7 t -107.87 117.02 33.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.606 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 mt -145.29 162.74 36.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.219 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -64.0 -52.08 61.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.423 ' CG2' ' NZ ' ' A' ' 101' ' ' LYS . 2.7 pp -62.97 -11.7 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.76 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.403 ' CD1' ' O ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -93.11 24.6 3.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.991 0.424 . . . . 0.0 109.881 179.5 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' A' ' 92' ' ' GLN . 24.3 mtp85 -135.7 -159.97 1.01 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.393 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.58 ' C ' ' H ' ' A' ' 93' ' ' TRP . 8.3 t -38.07 -24.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.825 0.345 . . . . 0.0 110.942 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.535 ' N ' ' O ' ' A' ' 90' ' ' ARG . 33.9 mt-30 -71.93 29.03 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.48 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.58 ' H ' ' C ' ' A' ' 91' ' ' SER . 72.8 t-105 -92.81 110.26 21.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.58 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.55 ' O ' ' N ' ' A' ' 96' ' ' ALA . 1.2 m -94.88 121.51 62.53 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.458 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -45.7 -9.39 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 122.151 1.901 . . . . 0.0 112.3 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -143.4 65.76 1.32 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.995 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.6 pp -104.08 152.06 22.53 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.475 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.55 ' O ' ' N ' ' A' ' 100' ' ' SER . 12.8 p -82.61 93.85 7.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.072 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 18.5 tt -38.53 -23.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.55 ' N ' ' O ' ' A' ' 98' ' ' THR . 40.7 t -53.34 -36.27 61.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.651 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.423 ' NZ ' ' CG2' ' A' ' 88' ' ' ILE . 3.9 ptmm? -72.07 -35.84 69.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.721 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 88.4 t -57.91 -50.23 78.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.479 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.522 ' N ' ' CD1' ' A' ' 103' ' ' LEU . 6.8 mp -66.81 -46.1 76.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.387 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.56 -40.32 91.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.414 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.6 m -50.19 -39.96 45.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.536 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 71.5 mt -60.19 -48.21 89.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.427 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 95.3 m -52.88 -37.24 60.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.541 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.1 t -73.56 -28.06 61.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.559 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 112' ' ' ASP . 6.3 tt -76.74 -43.41 37.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.489 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 96.1 mt -54.31 -45.86 72.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.496 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 10.1 t -82.9 5.06 23.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.582 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 109' ' ' LEU . 33.5 t0 -158.12 104.3 1.72 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.479 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -78.88 -174.17 2.17 Favored 'Trans proline' 0 C--N 1.313 -1.321 0 C-N-CA 122.289 1.993 . . . . 0.0 112.139 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -156.19 106.96 2.07 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.501 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.453 ' O ' ' CB ' ' A' ' 116' ' ' ASP . 72.4 Cg_endo -79.53 -158.0 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.346 0 C-N-CA 122.304 2.003 . . . . 0.0 111.984 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 115' ' ' PRO . 7.9 t70 81.11 73.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.992 0.425 . . . . 0.0 110.462 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 41.37 68.12 2.69 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_exo -62.92 -149.44 0.02 OUTLIER 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.743 2.296 . . . . 0.0 111.825 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.97 -27.37 28.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.069 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.0 m -130.99 77.76 74.65 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.475 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -46.3 -17.75 0.37 Allowed 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.737 2.291 . . . . 0.0 112.347 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -61.85 -49.16 77.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.624 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 18.6 mt -73.51 -29.07 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.543 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.03 -45.93 82.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.712 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -54.96 -42.05 71.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.646 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 24.6 mt -70.81 -47.57 62.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.478 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -64.8 -31.18 72.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -50.51 -68.07 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.024 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.512 ' HG1' ' N ' ' A' ' 130' ' ' ASP . 1.8 p -112.47 -42.16 3.72 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.647 0.261 . . . . 0.0 111.171 -179.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.512 ' N ' ' HG1' ' A' ' 129' ' ' THR . 14.9 t0 -79.59 61.2 3.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.717 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -73.59 -20.67 60.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.578 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.5 -34.0 77.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.543 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 20.8 ttmt -76.25 -50.78 13.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.49 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.521 ' OH ' ' CD2' ' A' ' 75' ' ' HIS . 71.8 t80 -47.66 -27.37 1.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.699 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.04 -46.29 65.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.791 -179.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.491 ' HG3' ' N ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -71.49 -33.56 69.37 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.135 -179.242 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.491 ' N ' ' HG3' ' A' ' 136' ' ' ARG . 11.0 mt -67.2 -30.83 50.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.868 0.366 . . . . 0.0 110.653 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 7.4 t -68.82 -55.02 12.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.315 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 5.4 ptt-85 -68.09 -24.87 65.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.2 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -68.19 -50.08 56.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.977 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -71.74 1.15 7.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.988 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 146' ' ' ALA . 33.8 m -76.49 -60.51 2.31 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.161 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.416 ' O ' ' O ' ' A' ' 147' ' ' MET . 17.6 tt0 -65.8 -31.52 72.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.061 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 22.9 tttp -52.09 -48.04 64.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.339 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -133.28 -33.28 1.13 Allowed 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 142' ' ' THR . . . -67.55 -24.68 65.56 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.907 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' MET . . . . . 0.497 ' SD ' ' O ' ' A' ' 47' ' ' GLY . 69.8 mtm . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.41 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 46.3 ttp . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -98.25 142.09 30.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.446 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.7 pt -140.15 145.08 26.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.427 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -93.32 121.82 35.09 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.526 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -98.94 106.1 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.521 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -87.25 128.3 35.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.484 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 43.5 p -92.89 -175.88 4.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.81 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 tp -75.97 5.09 7.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.575 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 18.1 p -123.89 9.8 8.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.626 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' B' ' 12' ' ' THR . . . 87.36 -26.35 7.16 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.76 94.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.788 0.327 . . . . 0.0 110.701 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.462 ' N ' ' O ' ' B' ' 10' ' ' GLY . 7.1 t -103.45 128.68 50.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.558 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 11.7 pt -138.54 143.97 31.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.458 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.97 143.22 43.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.424 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.66 138.94 48.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.318 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -95.8 120.19 35.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.558 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 6.9 m -148.16 144.63 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.535 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' B' ' 20' ' ' SER . 54.4 mm-40 -77.82 121.92 84.86 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.328 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -45.25 -12.72 0.06 OUTLIER 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 122.205 1.936 . . . . 0.0 112.318 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.506 ' N ' ' O ' ' B' ' 18' ' ' GLU . 15.9 p -103.09 -17.33 15.45 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.109 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' B' ' 18' ' ' GLU . 0.8 OUTLIER -65.83 129.93 41.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 0.0 110.169 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.4 p -76.12 145.27 40.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.525 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 9.7 mt -46.74 -33.94 2.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.076 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.408 ' O ' ' OE2' ' B' ' 24' ' ' GLU . 1.8 tm-20 -48.63 -34.97 12.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 110.572 -179.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.0 -29.91 24.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.541 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 89.7 t -59.47 -47.35 91.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.616 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.422 ' CB ' ' HZ2' ' B' ' 27' ' ' LYS . 0.3 OUTLIER -51.11 -33.27 25.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.422 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.77 -33.02 58.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.411 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -74.3 -52.94 10.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.53 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 16.3 tt -59.47 -31.83 47.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.132 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' B' ' 35' ' ' GLY . 4.3 tm0? -58.04 -54.14 50.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.53 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.411 ' OD2' ' OE1' ' B' ' 31' ' ' GLN . 9.2 m-20 -67.76 -28.95 68.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.76 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -66.06 0.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.974 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -81.26 -37.19 28.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.881 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . 113.6 -21.46 16.63 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.528 ' CD1' ' NE2' ' B' ' 41' ' ' GLN . 0.6 OUTLIER -61.91 143.7 94.29 Favored Pre-proline 0 C--N 1.33 -0.268 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.087 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -70.75 161.71 45.13 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.294 1.996 . . . . 0.0 112.055 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -62.69 -42.03 27.98 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.485 2.123 . . . . 0.0 112.277 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -54.89 -32.77 61.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.259 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -90.69 -1.89 57.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.064 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.528 ' NE2' ' CD1' ' B' ' 36' ' ' ILE . 73.6 mm-40 -94.39 126.0 39.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.941 0.4 . . . . 0.0 111.01 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 50.6 ttt85 -144.62 99.67 3.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.758 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.402 HD11 ' H ' ' B' ' 43' ' ' LEU . 1.3 mp -85.94 131.74 34.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.377 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.419 HG23 HD13 ' B' ' 44' ' ' ILE . 48.3 mm -124.26 157.87 31.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.063 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.441 ' O ' ' N ' ' B' ' 48' ' ' LYS . 28.0 t80 -160.05 130.5 5.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.846 0.355 . . . . 0.0 110.76 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 45.77 29.13 0.65 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.754 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.46 28.13 70.15 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' B' ' 45' ' ' PHE . 29.8 tttp -122.29 116.97 25.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.77 0.319 . . . . 0.0 110.42 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -59.34 119.74 8.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.538 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 6.7 mp -66.12 85.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -48.06 127.55 12.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.644 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -55.01 -30.99 60.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.086 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.64 41.96 2.6 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.366 -0.693 . . . . 0.0 111.366 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -146.87 163.84 34.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.845 0.355 . . . . 0.0 110.405 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.508 ' O ' ' CE2' ' B' ' 59' ' ' TYR . 3.2 p -99.8 177.07 5.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.135 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.513 ' N ' ' CD1' ' B' ' 56' ' ' LEU . 8.2 mp -80.05 -49.26 12.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.828 0.347 . . . . 0.0 110.532 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 29.4 t -53.92 -28.37 36.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.743 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -50.57 -44.98 56.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.268 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.508 ' CE2' ' O ' ' B' ' 55' ' ' THR . 0.7 OUTLIER -86.68 -41.54 14.11 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.847 -179.625 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . 0.474 ' CG ' ' N ' ' B' ' 61' ' ' ILE . 5.4 t-20 172.23 -95.75 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.365 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.474 ' N ' ' CG ' ' B' ' 60' ' ' ASN . 5.1 mp 39.29 87.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.628 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.418 ' O ' ' O ' ' B' ' 63' ' ' LYS . 6.2 pt20 -102.37 62.51 0.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.574 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' B' ' 62' ' ' GLN . 16.7 ttpt 60.28 137.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.713 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 50.78 48.81 22.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.525 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.0 t -103.37 158.42 16.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.551 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.2 m -97.82 139.92 32.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.522 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 4.8 mp -131.93 146.48 52.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.512 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -93.18 144.44 25.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.7 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 tp -125.69 110.06 13.32 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.389 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 5.0 t -103.92 119.35 52.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.36 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.6 mp -84.6 125.72 32.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.789 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.431 ' CB ' HH11 ' B' ' 72' ' ' ARG . 0.0 OUTLIER -81.31 128.58 33.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.174 179.576 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 12.4 mt -113.51 133.44 55.23 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.732 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 41.9 mtt85 -74.01 -178.25 3.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.437 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . 0.445 ' O ' ' NE2' ' A' ' 46' ' ' GLN . . . 61.31 176.8 2.06 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.719 0 CA-C-O 118.033 -1.426 . . . . 0.0 110.88 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 39.4 mt -61.84 -19.91 63.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.614 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.418 ' HD2' ' H ' ' A' ' 4' ' ' LYS . 1.5 mptp? -70.6 -49.53 46.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.61 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.98 -44.59 47.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.64 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 84.0 mt -53.18 -42.72 47.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.575 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 7' ' ' ASN . 57.1 t-20 -67.92 -19.89 65.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.577 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -60.98 -47.03 88.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.556 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -65.33 -43.06 92.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.555 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 tp -49.96 -28.09 6.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.381 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.7 t -60.11 -49.13 78.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.447 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -71.01 -22.06 62.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.496 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 tp -77.13 -29.11 54.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.642 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.86 -18.47 32.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.729 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.26 -54.27 2.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.589 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -135.18 82.87 40.51 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.812 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -80.34 164.38 21.67 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.487 2.124 . . . . 0.0 111.867 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -51.41 127.98 24.15 Favored 'Trans proline' 0 C--N 1.31 -1.474 0 C-N-CA 122.372 2.048 . . . . 0.0 111.99 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.06 -43.92 50.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.608 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -77.21 -56.1 4.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.623 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.0 m -93.99 -155.91 0.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.711 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.0 m -170.45 167.26 8.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.487 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -157.33 175.99 13.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.597 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.25 119.83 0.51 Allowed Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.671 -0.971 . . . . 0.0 110.671 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -44.77 142.65 4.86 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 122.163 1.909 . . . . 0.0 112.097 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.447 ' C ' ' H ' ' A' ' 28' ' ' ASP . 21.2 t -77.23 143.16 13.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.552 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.69 -13.03 0.74 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.447 ' H ' ' C ' ' A' ' 26' ' ' VAL . 13.7 t70 -71.13 -63.22 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 110.379 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -170.16 176.79 4.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.399 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.429 ' O ' ' CD1' ' A' ' 33' ' ' TRP . 11.9 mtp -75.97 -18.7 59.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.71 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -63.71 -44.47 93.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.293 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.401 ' NE2' ' CD2' ' A' ' 55' ' ' HIS . 69.3 m80 -99.0 121.14 40.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.337 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.429 ' CD1' ' O ' ' A' ' 30' ' ' MET . 7.3 m95 -111.51 171.33 7.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.967 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -131.86 175.04 9.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.525 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -157.54 161.02 38.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.568 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.2 m -146.08 123.91 11.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.473 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 95.1 mt -135.33 142.46 39.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.729 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.3 ttt -103.17 145.19 30.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.147 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.56 143.61 46.39 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.31 -168.96 0.42 Allowed 'Trans proline' 0 N--CA 1.493 1.474 0 C-N-CA 122.494 2.13 . . . . 0.0 112.047 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -96.69 32.68 2.01 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.551 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.509 ' C ' ' HG ' ' A' ' 43' ' ' SER . 34.7 m-20 -155.19 43.7 0.47 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.616 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.509 ' HG ' ' C ' ' A' ' 42' ' ' ASP . 4.5 m -157.09 126.86 3.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.32 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.523 ' C ' ' H ' ' A' ' 46' ' ' GLN . 85.7 Cg_exo -41.44 -36.39 2.82 Favored 'Trans proline' 0 N--CA 1.491 1.328 0 C-N-CA 122.284 1.989 . . . . 0.0 112.329 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.433 ' OH ' ' OG ' ' A' ' 138' ' ' SER . 50.0 m-85 -60.63 -0.43 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.742 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.523 ' H ' ' C ' ' A' ' 44' ' ' PRO . 10.2 tt0 -46.11 131.62 9.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.455 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.03 40.4 7.56 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -147.03 172.22 27.55 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.8 t -129.51 138.44 54.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.799 0.333 . . . . 0.0 110.477 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -104.72 159.23 15.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.711 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.427 ' O ' ' OG1' ' A' ' 70' ' ' THR . 64.3 m-85 -140.09 131.62 27.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.17 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 mp -137.36 148.14 46.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.74 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.8 m -112.87 141.63 46.46 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.254 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.9 mp -118.9 119.48 61.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.624 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.401 ' CD2' ' NE2' ' A' ' 32' ' ' HIS . 12.1 t-80 -104.58 121.5 43.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.447 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -95.9 150.05 36.81 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.393 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -59.23 145.37 98.0 Favored 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 122.034 1.823 . . . . 0.0 111.282 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.3 p -81.12 9.13 7.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.114 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.651 ' O ' ' CG ' ' A' ' 60' ' ' TYR . 23.5 m-20 -117.76 -13.84 10.15 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.437 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.651 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 2.2 m-85 152.52 157.94 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.626 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.62 7.53 3.45 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.543 2.162 . . . . 0.0 113.232 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -87.87 -25.98 23.0 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.319 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -73.94 145.31 83.66 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.246 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -52.45 119.46 5.92 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.196 1.931 . . . . 0.0 112.087 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -79.12 172.07 15.37 Favored 'Trans proline' 0 N--CA 1.491 1.33 0 C-N-CA 122.377 2.051 . . . . 0.0 112.022 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -125.78 96.7 4.86 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.725 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.1 t -91.24 148.1 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.493 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -146.76 145.44 29.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.514 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -86.05 114.86 23.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.386 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 51' ' ' PHE . 40.6 p -74.68 -48.1 27.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.822 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.8 m -70.39 157.43 37.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.572 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -82.27 93.09 7.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.454 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.1 tp -103.18 152.72 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.335 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -135.61 78.49 1.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.47 ' O ' ' O ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -124.17 147.03 53.33 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.317 -179.834 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -44.24 -63.67 0.31 Allowed 'Trans proline' 0 C--N 1.311 -1.408 0 C-N-CA 122.471 2.114 . . . . 0.0 112.692 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -77.69 8.95 3.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.583 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.47 ' O ' ' O ' ' A' ' 75' ' ' HIS . 6.4 mm -132.75 115.88 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 120.944 0.402 . . . . 0.0 110.555 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.734 HD21 ' H ' ' A' ' 81' ' ' ASN . 0.2 OUTLIER -90.57 148.74 22.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.478 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.693 ' N ' HD21 ' A' ' 79' ' ' ASN . 4.1 m -76.71 -1.52 28.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.579 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.734 ' H ' HD21 ' A' ' 79' ' ' ASN . 0.5 OUTLIER -86.94 -7.79 57.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.653 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.55 -2.84 42.57 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.7 m -77.36 94.23 4.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.821 0.343 . . . . 0.0 110.598 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.411 HG22 HD12 ' A' ' 84' ' ' ILE . 55.7 mt -99.87 108.44 22.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.503 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 11.9 t -70.11 117.27 11.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.753 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.1 mt -145.7 145.51 30.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.507 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -69.14 -52.02 32.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.954 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.425 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.1 OUTLIER -52.71 -21.09 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.719 -179.631 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.57 24.9 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.896 0.379 . . . . 0.0 110.306 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 61.5 mtt-85 -139.25 -103.01 0.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.483 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.541 ' C ' ' H ' ' A' ' 93' ' ' TRP . 10.2 t -98.06 -28.02 13.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.862 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -73.35 29.03 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.65 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.541 ' H ' ' C ' ' A' ' 91' ' ' SER . 70.3 t-105 -95.24 154.95 16.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.632 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.7 m -165.46 142.03 4.57 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.493 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -74.19 -0.09 9.15 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.38 2.053 . . . . 0.0 112.179 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -98.65 -43.67 6.73 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.985 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.9 pp -43.98 151.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.661 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 t -98.84 149.45 22.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.1 tp -52.9 -27.73 12.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.0 m -63.4 -37.27 86.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.034 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -57.77 -51.1 70.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.173 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.9 p -69.22 -33.95 60.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.91 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.69 -50.02 75.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.567 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.494 ' O ' ' SG ' ' A' ' 107' ' ' CYS . 4.1 mm? -68.05 -30.23 69.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.555 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 49.8 m -56.74 -33.48 66.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.627 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 85.0 mt -70.99 -56.07 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.551 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 104' ' ' LEU . 15.1 p -54.4 -28.02 40.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.647 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 25.7 m -70.39 -46.27 64.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.54 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.54 -46.71 83.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.276 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.95 -35.52 6.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.34 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 15.8 t -73.05 -54.85 7.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.704 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -99.95 107.59 47.46 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.524 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -79.5 -162.97 0.2 Allowed 'Trans proline' 0 C--N 1.313 -1.336 0 C-N-CA 122.331 2.021 . . . . 0.0 112.084 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -155.25 74.2 5.47 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.668 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -79.56 74.69 5.43 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.766 2.311 . . . . 0.0 112.006 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -163.78 -58.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.585 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -146.64 58.21 4.26 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.46 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -72.46 -163.83 0.16 Allowed 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.741 2.294 . . . . 0.0 112.112 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.44 -37.87 17.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.562 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 4.0 t -119.56 83.4 27.44 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.748 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo -53.57 -22.34 21.74 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.739 2.293 . . . . 0.0 112.282 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -61.92 -51.96 66.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.582 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 36.0 mt -72.17 -26.41 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.495 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.02 -41.96 85.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.716 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -55.11 -42.09 72.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.725 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 130' ' ' ASP . 36.1 mt -59.14 -56.18 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.549 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -57.5 -31.21 65.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.604 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -50.46 -45.33 56.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.442 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 34.9 p -136.02 -42.18 0.66 Allowed 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.296 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 126' ' ' ILE . 37.1 m-20 -75.72 93.02 3.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.834 0.35 . . . . 0.0 110.564 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.8 tpp85 -97.86 -29.97 13.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.596 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.538 ' O ' ' ND2' ' A' ' 135' ' ' ASN . 10.0 t70 -70.54 -36.75 73.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.668 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -81.79 -37.49 27.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.517 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 134' ' ' TYR . 32.6 t80 -52.05 -30.93 27.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 132' ' ' ASP . 18.6 p30 -83.05 -31.18 27.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.007 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.52 ' N ' ' OD1' ' A' ' 135' ' ' ASN . 16.9 ttm-85 -63.08 -50.06 72.05 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.653 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.531 ' N ' ' CD1' ' A' ' 137' ' ' ILE . 1.3 mp -63.53 -53.36 46.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.433 ' OG ' ' OH ' ' A' ' 45' ' ' TYR . 36.0 m -53.4 -53.57 49.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.384 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -55.23 -24.98 30.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.447 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -73.48 -50.04 23.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.758 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -78.25 1.14 22.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.826 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' A' ' 138' ' ' SER . 28.8 m -76.47 -60.38 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.2 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -76.19 -31.85 58.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.11 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.22 -54.66 15.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.312 -179.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . 0.56 ' C ' ' H ' ' A' ' 147' ' ' MET . 83.3 m-85 -132.46 -33.06 1.28 Allowed 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.699 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.21 37.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.865 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' MET . . . . . 0.56 ' H ' ' C ' ' A' ' 145' ' ' TYR . 32.3 mtt . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.276 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 30.2 ttp . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -130.94 147.77 52.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.498 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.6 pt -143.53 158.5 16.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.47 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -94.02 139.94 30.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.532 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 16.6 t -132.99 102.77 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.327 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -98.33 127.93 44.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.654 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.9 m -92.8 156.25 17.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.458 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.2 tp -55.94 -21.95 23.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.422 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 19.4 p -70.52 -10.35 59.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.557 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.72 -16.82 59.83 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -64.4 151.08 45.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.791 0.329 . . . . 0.0 110.562 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.3 m -137.0 133.25 35.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.511 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 17.6 pt -151.02 147.01 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.57 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 17.2 p -85.52 148.1 26.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.556 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.0 139.16 54.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.478 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -88.26 115.24 25.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.516 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 9.8 m -146.86 -177.68 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.488 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' B' ' 21' ' ' ASP . 14.0 mp0 -141.38 131.14 12.81 Favored Pre-proline 0 CA--C 1.532 0.251 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.314 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -44.71 -31.18 4.77 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 122.285 1.99 . . . . 0.0 112.503 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.0 m -83.63 -17.2 42.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.078 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' B' ' 18' ' ' GLU . 7.1 t70 -75.14 133.05 41.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.464 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.93 144.92 54.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.389 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.409 HD13 HH22 ' B' ' 54' ' ' ARG . 12.3 mt -60.52 -28.26 42.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.421 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' B' ' 25' ' ' ASN . 8.5 pt-20 -49.73 -39.24 36.58 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.538 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.429 ' N ' ' CG ' ' B' ' 24' ' ' GLU . 13.7 t-20 -75.88 -36.4 59.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.694 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 95.4 t -52.91 -34.0 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -67.02 -28.87 68.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.351 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.55 -36.05 52.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -80.33 -30.99 38.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.468 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 14.5 tt -74.2 -35.77 41.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.046 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -71.29 -38.06 71.81 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.562 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -75.07 -28.83 60.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.705 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -71.01 -49.95 39.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.269 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -95.25 -37.33 11.06 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.122 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.21 28.17 6.59 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -109.66 142.98 26.91 Favored Pre-proline 0 CA--C 1.533 0.311 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.04 132.0 13.66 Favored 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 122.515 2.144 . . . . 0.0 112.276 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -73.68 -11.12 23.98 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.45 2.1 . . . . 0.0 112.089 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -59.8 -23.8 63.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.325 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -130.04 -20.9 3.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.679 0.276 . . . . 0.0 111.027 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.94 82.64 8.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.342 . . . . 0.0 110.603 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 1.9 ptp85 -88.52 139.3 30.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.585 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.53 ' N ' ' CD1' ' B' ' 43' ' ' LEU . 7.8 mp -91.12 142.85 27.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.443 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 82.1 mt -136.0 142.29 39.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.666 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -133.6 125.4 28.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.306 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.38 28.94 17.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.636 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.73 28.1 61.7 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -135.79 129.84 33.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.842 0.353 . . . . 0.0 110.568 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -67.67 146.02 54.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.468 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.9 mt -87.83 159.9 18.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -108.59 139.09 43.85 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.255 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.489 ' N ' ' OD1' ' B' ' 52' ' ' ASP . 0.7 OUTLIER -79.0 -27.14 43.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 -179.576 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.29 -64.89 3.41 Favored Glycine 0 CA--C 1.529 0.914 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.499 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.583 ' NH2' ' O ' ' B' ' 55' ' ' THR . 3.2 ptm180 -76.84 177.11 7.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.103 0.478 . . . . 0.0 111.813 -178.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.713 ' HG1' ' H ' ' B' ' 57' ' ' SER . 0.6 OUTLIER -108.94 164.4 12.44 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.707 -179.777 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 12.5 mt -53.27 -14.95 0.8 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.713 ' H ' ' HG1' ' B' ' 55' ' ' THR . 23.3 t -57.13 -28.86 63.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.484 -179.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.575 ' CB ' ' HE ' ' B' ' 54' ' ' ARG . 3.0 t0 -76.92 -45.33 28.27 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.203 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -72.45 -10.21 59.51 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.244 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 54.29 52.76 11.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.647 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.408 HG23 HD11 ' B' ' 61' ' ' ILE . 71.9 mt -91.22 95.53 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.585 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -54.31 -172.66 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.603 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -81.76 175.86 10.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.645 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.523 ' N ' ' OE1' ' B' ' 64' ' ' GLU . 0.4 OUTLIER 47.77 25.45 0.71 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.488 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 7.3 p -87.22 136.47 32.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.53 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 12.0 p -87.89 140.96 28.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.503 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.11 140.2 53.27 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.319 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -91.84 112.15 23.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.14 121.78 34.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.172 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' B' ' 71' ' ' LEU . 88.6 t -103.98 161.14 4.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.664 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.454 ' N ' ' CG1' ' B' ' 70' ' ' VAL . 14.8 tp -136.0 106.62 6.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.393 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -93.64 105.51 17.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.476 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.405 ' H ' HD13 ' B' ' 73' ' ' LEU . 4.0 mp -87.79 90.27 8.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.649 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.55 ' O ' ' NE ' ' B' ' 74' ' ' ARG . 0.0 OUTLIER -87.61 -46.91 9.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.296 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -153.35 -51.97 0.01 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.757 0 CA-C-O 118.009 -1.439 . . . . 0.0 110.906 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.419 ' O ' ' OD1' ' A' ' 7' ' ' ASN . 26.6 mt -65.72 -20.22 66.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.57 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.426 ' HD2' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -79.1 -54.76 5.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.684 -179.888 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.679 ' HE ' ' N ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -55.48 -52.73 62.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.597 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 84.9 mt -53.09 -50.37 45.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.633 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' A' ' 3' ' ' LEU . 4.6 m-20 -52.93 -26.17 14.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.627 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -66.58 -44.08 83.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.442 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -61.58 -25.09 67.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.491 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.73 -42.34 61.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.398 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.5 m -63.52 -36.11 82.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.46 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -72.68 -29.2 63.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.558 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 mt -62.34 -49.11 76.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.461 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.06 -40.67 52.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.75 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 -74.96 -11.33 60.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.567 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -170.96 74.15 0.55 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.583 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -62.26 133.6 44.39 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.737 2.291 . . . . 0.0 111.69 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -51.22 132.65 39.74 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 121.895 1.73 . . . . 0.0 111.508 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.12 -52.08 11.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.541 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.599 ' NE2' ' SG ' ' A' ' 107' ' ' CYS . 11.8 tt0 -84.27 6.86 21.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.317 -179.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.508 ' SG ' ' O ' ' A' ' 20' ' ' GLN . 44.3 m -153.95 -162.77 1.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.936 0.398 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.8 p -179.0 108.39 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.26 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.45 175.86 5.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.024 0.44 . . . . 0.0 110.951 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -176.07 136.67 3.37 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.533 -1.027 . . . . 0.0 110.533 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.86 143.28 32.97 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.329 2.02 . . . . 0.0 112.132 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.2 m -130.1 153.97 39.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.488 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.29 155.23 27.81 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -62.11 -24.5 67.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 110.457 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -95.34 157.01 16.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.66 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -90.49 6.79 42.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.389 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -81.24 -33.83 32.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.644 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -90.47 123.43 34.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.684 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -127.02 173.43 9.66 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.882 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -146.56 175.16 10.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.803 0.335 . . . . 0.0 110.522 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -151.39 161.94 41.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.504 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.7 m -141.74 125.23 16.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.505 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 65.7 mt -130.27 139.8 50.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.562 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 19.6 ttm -104.18 152.79 21.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.459 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.533 ' O ' ' O ' ' A' ' 40' ' ' PRO . . . -68.16 124.35 19.54 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.533 ' O ' ' O ' ' A' ' 39' ' ' GLY . 82.4 Cg_exo -40.11 -109.88 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 122.689 2.259 . . . . 0.0 112.688 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.416 ' H ' ' HB2' ' A' ' 40' ' ' PRO . 64.3 m-80 -155.59 -68.15 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.78 0.324 . . . . 0.0 110.509 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -68.35 -6.92 26.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.553 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.448 ' C ' ' H ' ' A' ' 45' ' ' TYR . 4.9 m -81.91 151.17 66.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.414 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.92 38.4 0.31 Allowed 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.555 2.17 . . . . 0.0 112.09 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.448 ' H ' ' C ' ' A' ' 43' ' ' SER . 97.5 m-85 -141.73 27.1 1.86 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.578 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -48.9 116.89 1.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.595 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.8 43.94 26.69 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -107.69 115.72 4.63 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 m -106.8 109.86 29.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.93 0.395 . . . . 0.0 110.506 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.508 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 2.6 m-85 -104.13 160.84 14.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.531 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.428 ' O ' ' OG1' ' A' ' 70' ' ' THR . 12.8 m-85 -140.17 111.92 7.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.753 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.2 pp -114.45 148.77 37.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.122 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -94.92 157.12 16.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.772 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.4 mt -131.61 115.48 28.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.148 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -112.31 127.74 56.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.586 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -108.62 104.79 55.46 Favored Pre-proline 0 CA--C 1.53 0.211 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.737 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -56.66 167.97 2.57 Favored 'Trans proline' 0 N--CA 1.492 1.432 0 C-N-CA 121.98 1.787 . . . . 0.0 111.363 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -40.83 93.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.95 0.405 . . . . 0.0 110.155 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -86.73 23.57 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.231 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.602 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 19.6 t80 -59.46 -37.49 51.87 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.555 -179.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 60' ' ' TYR . 31.7 Cg_exo -57.82 -11.74 10.24 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.022 1.815 . . . . 0.0 112.023 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -123.47 -49.01 1.92 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -91.18 146.34 33.34 Favored Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.11 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -53.32 167.34 0.84 Allowed 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 122.349 2.033 . . . . 0.0 111.873 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -85.01 172.11 8.86 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.837 2.358 . . . . 0.0 112.19 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 42.6 tttm -114.39 82.14 1.66 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.229 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.6 t -81.33 148.07 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.704 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -147.44 125.68 12.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.611 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -86.4 115.81 24.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.284 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 51' ' ' PHE . 26.7 p -79.13 -48.18 14.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.124 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.3 m -64.69 97.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.735 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.3 mtp85 -49.85 113.07 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.407 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 13.2 tt -134.15 128.9 53.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.341 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.08 94.9 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.968 0.413 . . . . 0.0 110.097 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.75 ' CE1' HD22 ' A' ' 77' ' ' ASN . 1.0 OUTLIER -145.37 117.54 5.22 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.972 -179.566 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.558 ' C ' ' H ' ' A' ' 78' ' ' ILE . 81.6 Cg_exo -41.64 -51.46 4.32 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 122.319 2.013 . . . . 0.0 112.716 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.75 HD22 ' CE1' ' A' ' 75' ' ' HIS . 0.2 OUTLIER -63.93 7.07 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.82 -179.868 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.558 ' H ' ' C ' ' A' ' 76' ' ' PRO . 7.1 mt -147.88 129.19 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.922 0.391 . . . . 0.0 110.833 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.527 ' C ' HD21 ' A' ' 79' ' ' ASN . 0.1 OUTLIER -99.94 -164.19 1.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.471 179.885 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 75.1 m -76.67 -7.48 55.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.466 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.454 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 81.0 m-20 -90.31 -16.09 29.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.614 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.407 ' O ' ' CD1' ' A' ' 84' ' ' ILE . . . 91.88 -7.27 79.25 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.454 ' H ' HD22 ' A' ' 79' ' ' ASN . 53.1 m -54.94 118.13 4.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.716 0.293 . . . . 0.0 110.432 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.407 ' CD1' ' O ' ' A' ' 82' ' ' GLY . 3.4 mp -104.76 123.33 58.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.733 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 67.2 m -93.77 113.04 25.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.331 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.1 mt -123.83 175.59 6.81 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.527 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -69.14 -52.31 29.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.428 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.611 ' H ' ' CD1' ' A' ' 88' ' ' ILE . 0.2 OUTLIER -64.09 -31.86 55.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.034 -179.468 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.439 ' H ' HD12 ' A' ' 88' ' ' ILE . 0.9 OUTLIER -73.65 36.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.515 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.51 ' H ' ' C ' ' A' ' 88' ' ' ILE . 74.4 mtt180 -150.61 -120.16 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.546 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.515 ' C ' ' H ' ' A' ' 93' ' ' TRP . 16.1 p -85.89 -29.83 23.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.666 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.421 ' O ' ' CD ' ' A' ' 92' ' ' GLN . 0.0 OUTLIER -75.18 29.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.274 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.515 ' H ' ' C ' ' A' ' 91' ' ' SER . 75.9 t-105 -87.81 155.96 19.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.773 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.504 ' O ' ' CD2' ' A' ' 97' ' ' LEU . 3.3 m -168.73 136.54 1.67 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.218 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -68.82 2.1 3.3 Favored 'Trans proline' 0 C--N 1.31 -1.462 0 C-N-CA 122.035 1.823 . . . . 0.0 112.027 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.05 -36.49 12.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.526 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.504 ' CD2' ' O ' ' A' ' 94' ' ' SER . 2.3 pp -53.8 152.1 5.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.587 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.3 p -107.68 174.0 6.07 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.937 0.399 . . . . 0.0 110.801 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.3 mm -87.42 -20.69 7.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.452 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.2 m -57.82 -48.69 79.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.785 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.595 ' CB ' ' HZ2' ' A' ' 101' ' ' LYS . 0.4 OUTLIER -68.63 -34.73 76.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 -179.782 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 69.0 t -52.5 -33.93 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.485 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.22 -42.43 98.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.156 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 15.2 mt -67.3 -36.05 80.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.37 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.2 m -52.1 -45.99 65.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.514 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 69.9 mt -68.03 -42.77 85.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.421 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.599 ' SG ' ' NE2' ' A' ' 20' ' ' GLN . 6.4 t -59.88 -50.44 73.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.391 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.0 t -51.92 -45.71 64.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.464 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -52.02 61.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.156 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.5 tp -54.14 -26.03 25.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.463 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 9.5 t -68.92 -43.05 75.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.521 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -146.28 129.69 8.28 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.335 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -76.4 -163.65 0.21 Allowed 'Trans proline' 0 N--CA 1.492 1.422 0 C-N-CA 122.286 1.991 . . . . 0.0 112.124 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.571 ' O ' ' O ' ' A' ' 115' ' ' PRO . 13.5 t-20 -161.78 118.53 1.34 Allowed Pre-proline 0 CA--C 1.533 0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.319 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.571 ' O ' ' O ' ' A' ' 114' ' ' ASN . 96.9 Cg_exo -42.34 -118.22 0.0 OUTLIER 'Trans proline' 0 N--CA 1.497 1.73 0 C-N-CA 122.687 2.258 . . . . 0.0 112.804 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 116' ' ' ASP . 0.5 OUTLIER 59.73 -152.57 0.39 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.841 0.353 . . . . 0.0 110.722 -179.761 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -135.15 71.04 68.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.07 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -61.94 -151.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.985 2.457 . . . . 0.0 112.323 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.2 mt -55.18 -59.13 5.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.86 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.8 t -117.95 84.27 20.71 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.803 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -50.56 -19.76 5.38 Favored 'Trans proline' 0 C--N 1.309 -1.543 0 C-N-CA 122.664 2.242 . . . . 0.0 112.21 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -61.84 -52.06 65.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.464 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 79.0 mt -57.38 -41.47 78.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.511 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.98 -36.09 81.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.553 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -56.25 -34.21 66.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.426 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 65.0 mt -74.1 -47.26 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.293 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -60.09 -30.74 69.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.733 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.02 -68.12 0.2 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.016 -178.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.445 ' CG2' ' N ' ' A' ' 130' ' ' ASP . 14.5 t -109.95 -42.28 4.26 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.733 0.302 . . . . 0.0 111.234 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.445 ' N ' ' CG2' ' A' ' 129' ' ' THR . 1.6 m-20 -76.33 81.53 3.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.732 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.422 ' HA ' ' HE ' ' A' ' 131' ' ' ARG . 0.1 OUTLIER -89.92 -32.12 16.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.301 179.743 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -55.19 -49.03 72.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.632 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -70.34 -49.44 49.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.447 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -48.08 -31.25 5.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.441 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -72.03 -32.57 67.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.617 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -69.74 -50.11 46.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.765 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.51 ' N ' ' CD1' ' A' ' 137' ' ' ILE . 1.5 mp -61.47 -55.02 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.585 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.46 ' O ' ' OG1' ' A' ' 142' ' ' THR . 38.9 m -52.41 -41.15 62.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.287 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 31.4 ttt85 -77.55 -26.49 50.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.296 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' A' ' 140' ' ' GLU . 0.0 OUTLIER -73.58 -50.11 22.91 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.642 -179.738 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -71.42 1.32 6.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.953 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' A' ' 138' ' ' SER . 97.4 m -78.0 -60.24 2.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.876 0.369 . . . . 0.0 111.149 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -69.65 -31.79 70.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.422 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -52.58 -50.27 63.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.787 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . 0.489 ' C ' ' H ' ' A' ' 147' ' ' MET . 44.8 m-85 -133.21 -33.12 1.15 Allowed 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 120.594 -0.442 . . . . 0.0 112.063 -178.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -69.53 43.75 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.981 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' MET . . . . . 0.489 ' H ' ' C ' ' A' ' 145' ' ' TYR . 4.9 mmt . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.229 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.9 tpp . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -73.62 105.91 5.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.435 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 37.2 pt -124.26 159.79 29.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.654 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -97.06 142.33 29.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.263 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 76.4 t -129.84 103.04 7.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.394 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -90.14 155.09 19.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.514 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 6.0 m -132.69 160.96 35.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.502 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.5 ' C ' ' H ' ' B' ' 10' ' ' GLY . 0.9 OUTLIER -56.06 -39.14 71.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.485 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.504 ' C ' ' H ' ' B' ' 11' ' ' LYS . 20.5 p -75.21 19.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.5 ' H ' ' C ' ' B' ' 8' ' ' LEU . . . 74.56 -21.69 1.48 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.504 ' H ' ' C ' ' B' ' 9' ' ' THR . 5.8 tmtm? -44.11 115.91 0.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.716 0.293 . . . . 0.0 110.387 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -135.78 122.78 21.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.729 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 12.3 pt -151.03 145.3 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.419 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.456 ' HG1' ' H ' ' B' ' 14' ' ' THR . 0.2 OUTLIER -66.96 139.92 57.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.377 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.67 165.13 13.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.555 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -117.33 119.79 36.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.197 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 3.7 t -133.4 161.25 41.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.939 0.399 . . . . 0.0 110.961 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' B' ' 20' ' ' SER . 3.5 tp10 -104.17 124.74 36.42 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.051 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -44.86 -10.73 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 122.226 1.951 . . . . 0.0 112.465 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.541 ' N ' ' O ' ' B' ' 18' ' ' GLU . 4.4 m -112.03 -17.2 12.91 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.894 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' B' ' 18' ' ' GLU . 18.9 m-20 -62.55 136.21 57.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 110.379 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.465 ' H ' ' HG1' ' B' ' 22' ' ' THR . 1.2 p -81.79 176.49 9.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.607 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.504 ' CG2' ' HZ3' ' B' ' 27' ' ' LYS . 7.6 mm -75.0 -20.16 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.721 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -70.15 -32.42 70.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.938 0.399 . . . . 0.0 110.121 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.31 -44.11 13.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.042 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -52.74 -33.95 19.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.246 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.504 ' HZ3' ' CG2' ' B' ' 23' ' ' ILE . 35.6 mttp -62.8 -31.27 72.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.9 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.15 -27.66 53.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.66 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -76.1 -29.61 57.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.05 -179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' B' ' 34' ' ' GLU . 90.1 mt -75.51 -52.35 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.732 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.34 -29.94 64.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 110.352 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -75.2 -29.0 60.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.727 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 25.1 ttmt -100.45 -17.64 17.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.26 -179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' B' ' 30' ' ' ILE . 33.7 mt-10 -108.46 -36.98 6.08 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 121.111 -0.236 . . . . 0.0 110.602 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.67 -22.21 34.56 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 4.2 pt -61.69 114.96 12.68 Favored Pre-proline 0 CA--C 1.533 0.326 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.376 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.35 142.0 38.85 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.163 1.909 . . . . 0.0 112.344 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.536 ' C ' ' H ' ' B' ' 40' ' ' GLN . 72.3 Cg_exo -43.08 -39.62 8.28 Favored 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 122.702 2.268 . . . . 0.0 112.755 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -55.18 -1.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.733 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.536 ' H ' ' C ' ' B' ' 38' ' ' PRO . 59.6 mt-30 -126.22 -1.81 6.99 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 121.001 -0.279 . . . . 0.0 111.159 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.641 ' N ' HE21 ' B' ' 41' ' ' GLN . 0.0 OUTLIER -76.98 121.19 23.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.961 0.41 . . . . 0.0 111.491 -179.371 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -145.36 105.3 4.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.719 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.504 ' CD2' ' N ' ' B' ' 43' ' ' LEU . 3.7 mm? -85.86 139.71 31.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.101 0.476 . . . . 0.0 111.097 -179.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.4 tp -137.97 131.76 42.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.917 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -139.54 137.05 35.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.612 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.92 37.97 25.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.54 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.43 15.07 58.69 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -126.26 137.02 53.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.805 0.336 . . . . 0.0 110.501 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -74.53 142.0 44.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.499 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.573 ' CD1' ' N ' ' B' ' 50' ' ' LEU . 4.7 mp -87.91 132.89 34.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.592 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -61.33 148.29 41.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.291 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -68.98 -24.75 64.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.857 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -117.72 73.29 0.29 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.475 ' CB ' ' OH ' ' B' ' 59' ' ' TYR . 1.8 mmt-85 -153.27 144.89 23.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.789 0.328 . . . . 0.0 110.194 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.46 ' OG1' ' OD2' ' B' ' 58' ' ' ASP . 6.9 p -91.65 147.43 23.01 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.582 ' CD2' ' N ' ' B' ' 56' ' ' LEU . 1.9 mm? -58.65 -36.9 74.86 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.687 -0.405 . . . . 0.0 109.954 -179.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.434 ' O ' ' ND2' ' B' ' 60' ' ' ASN . 30.9 t -55.83 -29.06 59.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.607 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.46 ' OD2' ' OG1' ' B' ' 55' ' ' THR . 64.1 m-20 -64.27 -45.12 89.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.673 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.475 ' OH ' ' CB ' ' B' ' 54' ' ' ARG . 24.6 m-85 -80.32 -1.39 40.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.427 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' B' ' 57' ' ' SER . 1.5 m120 56.52 69.32 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 30.9 mm -81.23 166.56 2.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.256 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -124.31 158.18 33.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.468 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.548 ' HZ1' ' CD ' ' B' ' 64' ' ' GLU . 4.9 ttpp -56.19 144.97 27.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.276 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.548 ' CD ' ' HZ1' ' B' ' 63' ' ' LYS . 7.3 mp0 55.6 29.41 13.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.402 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.1 t -52.6 168.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.556 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.9 m -130.19 110.7 11.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.647 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -122.42 155.42 36.13 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.126 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -110.51 144.56 39.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.328 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.427 ' C ' ' CD2' ' B' ' 69' ' ' LEU . 5.5 tt -122.65 118.41 28.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.667 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 17.1 m -104.94 136.21 39.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.329 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 24.9 mt -84.23 115.66 22.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.527 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -85.67 121.21 28.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.444 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 2.8 mp -112.35 144.77 41.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.447 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -108.43 -88.48 0.48 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.603 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 170.25 177.79 40.7 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.779 0 CA-C-O 118.013 -1.437 . . . . 0.0 110.967 -179.966 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.757 HD22 ' N ' ' A' ' 3' ' ' LEU . 2.6 mm? -58.6 -36.92 74.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.216 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.3 pttt -79.13 -49.22 12.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.747 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -57.44 -55.36 35.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.801 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.4 mt -53.02 -38.92 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.566 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -66.3 -19.86 65.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.615 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.86 -50.08 74.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.437 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -67.11 -34.7 78.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.639 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.59 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -57.04 -37.95 72.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.512 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.8 t -59.94 -50.34 74.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.66 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -73.74 -21.98 60.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.575 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.7 tp -76.84 -48.61 17.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.658 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.66 -60.79 2.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.779 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.2 mtp-105 -44.67 -38.45 4.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.769 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -161.57 90.8 1.47 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.653 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -79.21 150.65 22.9 Favored 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 122.305 2.004 . . . . 0.0 111.893 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -51.65 127.83 24.09 Favored 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 122.166 1.911 . . . . 0.0 111.926 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.11 -35.26 61.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.546 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -59.36 -25.84 64.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.716 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.2 p -161.99 137.28 7.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.805 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.461 ' HB3' ' CD2' ' B' ' 68' ' ' HIS . 3.3 t -88.46 149.97 23.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.336 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.422 ' HB1' ' O ' ' A' ' 34' ' ' GLN . . . -163.8 159.16 20.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.74 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.9 154.14 11.2 Favored Glycine 0 CA--C 1.528 0.871 0 N-CA-C 110.811 -0.915 . . . . 0.0 110.811 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -73.23 148.03 43.27 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 122.61 2.207 . . . . 0.0 112.09 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.7 t -85.55 131.6 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.486 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 52.42 -167.52 0.93 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -78.44 -1.59 34.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 110.589 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -71.16 101.49 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.544 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.525 ' O ' ' CG ' ' A' ' 31' ' ' PHE . 1.9 mmt -84.49 81.19 8.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.409 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.525 ' CG ' ' O ' ' A' ' 30' ' ' MET . 38.7 m-85 -163.85 -39.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.703 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -101.65 120.77 40.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.881 0.372 . . . . 0.0 110.841 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -117.51 155.66 29.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.759 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.422 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 3.0 pt20 -146.07 170.87 15.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.771 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -159.8 175.73 12.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.436 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.2 t -146.04 154.46 41.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.621 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.9 mt -142.09 136.92 30.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.539 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.494 ' SD ' ' O ' ' B' ' 71' ' ' LEU . 10.5 ttp -107.96 148.74 29.27 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.639 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 41' ' ' ASN . . . -47.37 109.16 0.38 Allowed Glycine 0 CA--C 1.531 1.079 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.512 ' CB ' ' SG ' ' A' ' 111' ' ' CYS . 77.0 Cg_exo -47.24 -6.9 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.309 2.006 . . . . 0.0 112.308 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.539 ' N ' ' O ' ' A' ' 39' ' ' GLY . 2.7 m-20 74.34 48.45 0.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.554 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 2.3 m-20 -155.06 -47.21 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.352 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.89 162.78 48.73 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.215 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.513 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 37.5 Cg_endo -67.54 76.57 0.53 Allowed 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.562 2.175 . . . . 0.0 112.016 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.513 ' CD2' ' O ' ' A' ' 44' ' ' PRO . 3.3 m-85 -175.54 15.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -52.66 133.02 36.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.654 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.89 -0.56 88.27 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -90.85 111.43 3.95 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.405 ' O ' HG23 ' A' ' 49' ' ' VAL . 32.6 m -86.22 131.28 34.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.743 0.306 . . . . 0.0 110.367 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -113.24 146.44 39.32 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.746 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -131.66 135.13 46.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.186 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.3 pp -138.28 130.66 28.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.548 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.533 HG22 ' N ' ' A' ' 54' ' ' ILE . 29.0 m -95.04 163.34 13.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.417 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.564 HG22 ' N ' ' A' ' 55' ' ' HIS . 63.0 mt -128.61 162.64 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.237 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.564 ' N ' HG22 ' A' ' 54' ' ' ILE . 93.9 m-70 -145.39 106.19 4.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.578 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -80.74 140.22 50.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.224 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -73.95 157.69 46.88 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.421 2.081 . . . . 0.0 112.029 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.5 p -79.76 0.05 32.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.336 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.479 ' C ' ' CG ' ' A' ' 60' ' ' TYR . 1.2 m-20 -109.34 23.11 14.94 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.523 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 62' ' ' PHE . 4.6 m-85 74.33 149.86 0.13 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.581 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.475 ' O ' ' N ' ' A' ' 63' ' ' LYS . 96.0 Cg_exo -37.71 -23.05 0.05 OUTLIER 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 122.59 2.193 . . . . 0.0 112.306 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 60' ' ' TYR . 16.3 m-85 -45.19 -17.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.236 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 61' ' ' PRO . 12.8 mttt -107.16 139.29 20.31 Favored Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.263 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -52.57 117.86 4.1 Favored 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 122.023 1.816 . . . . 0.0 111.773 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -79.01 146.53 20.4 Favored 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 122.222 1.948 . . . . 0.0 111.999 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -88.19 139.02 30.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.798 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.5 t -137.13 143.44 34.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.013 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -140.79 170.88 14.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.995 0.426 . . . . 0.0 110.897 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.472 ' H ' ' HA3' ' A' ' 82' ' ' GLY . 0.1 OUTLIER -120.81 104.21 9.69 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.21 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.433 HG22 ' H ' ' A' ' 70' ' ' THR . 0.1 OUTLIER -66.03 -26.71 67.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.707 -179.78 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.1 m -87.02 143.36 27.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.675 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.2 mmt-85 -83.77 94.17 8.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.337 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.558 HG23 ' O ' ' A' ' 73' ' ' ILE . 3.3 tt -104.39 122.45 57.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.233 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -89.61 52.64 2.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.739 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -97.46 135.17 21.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.966 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -69.08 66.58 1.37 Allowed 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.104 1.869 . . . . 0.0 111.972 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.457 ' ND2' HD11 ' A' ' 109' ' ' LEU . 3.9 t-20 -173.86 -6.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.406 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 42.4 mt -132.64 128.37 57.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.369 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.504 ' CG ' ' H ' ' A' ' 80' ' ' SER . 25.7 t-20 -73.5 -159.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.707 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.504 ' H ' ' CG ' ' A' ' 79' ' ' ASN . 15.5 p -84.41 -37.1 21.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.744 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.476 ' ND2' ' OG ' ' A' ' 83' ' ' SER . 27.8 p-10 -72.94 1.46 8.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.5 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.472 ' HA3' ' H ' ' A' ' 69' ' ' PHE . . . 80.3 33.35 32.26 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.476 ' OG ' ' ND2' ' A' ' 81' ' ' ASN . 39.1 m -73.62 102.52 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 0.0 110.431 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.6 mt -91.9 127.76 43.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.592 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 85' ' ' CYS . 31.2 p -81.56 113.01 19.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.36 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.5 mt -133.87 111.35 10.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.337 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -59.44 -24.09 63.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.758 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.467 ' N ' HD13 ' A' ' 88' ' ' ILE . 3.4 mm -51.95 -47.61 41.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.44 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.487 HD12 ' N ' ' A' ' 89' ' ' LEU . 9.7 mp -53.15 -38.83 63.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.977 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 92' ' ' GLN . 61.6 mtp180 -65.64 -167.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.66 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.434 ' C ' ' H ' ' A' ' 93' ' ' TRP . 15.7 t -37.36 -26.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.218 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.526 ' N ' ' O ' ' A' ' 90' ' ' ARG . 27.1 mm-40 -77.32 28.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.649 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.434 ' H ' ' C ' ' A' ' 91' ' ' SER . 71.0 t-105 -105.38 102.95 12.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.564 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.545 ' O ' ' N ' ' A' ' 96' ' ' ALA . 1.0 OUTLIER -87.12 121.73 71.35 Favored Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.363 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -45.76 -9.52 0.04 OUTLIER 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 122.122 1.881 . . . . 0.0 112.167 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -145.08 67.48 1.24 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.466 ' H ' ' HG ' ' A' ' 97' ' ' LEU . 2.4 pp -104.01 150.54 24.15 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.426 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.54 ' O ' ' N ' ' A' ' 100' ' ' SER . 7.2 m -83.15 94.33 7.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.073 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 17.6 tt -38.63 -23.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.54 ' N ' ' O ' ' A' ' 98' ' ' THR . 97.2 p -53.07 -37.58 61.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.701 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -70.61 -36.38 73.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.858 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.1 t -57.61 -52.23 59.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.744 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.407 HD12 ' N ' ' A' ' 103' ' ' LEU . 10.0 mp -51.93 -46.78 64.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.529 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.03 -39.06 84.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.342 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.2 m -53.53 -41.23 66.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.36 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 86.9 mt -71.06 -34.48 55.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.517 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 47.6 t -65.04 -45.14 86.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.1 p -70.68 -24.93 62.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.642 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.457 HD11 ' ND2' ' A' ' 77' ' ' ASN . 32.5 tp -57.93 -47.57 82.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.68 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 110' ' ' LEU . 7.3 mp -73.96 -36.34 64.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.712 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.512 ' SG ' ' CB ' ' A' ' 40' ' ' PRO . 1.8 m -79.46 5.08 13.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.609 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -170.82 68.23 0.5 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.692 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.89 163.69 28.35 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.685 2.257 . . . . 0.0 111.946 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -145.27 72.99 14.46 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.524 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_exo -48.75 113.08 0.75 Allowed 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.792 2.328 . . . . 0.0 112.08 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -140.92 -93.5 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.488 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.462 ' N ' ' CD ' ' A' ' 118' ' ' PRO . 91.3 m-20 -133.06 53.04 9.78 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.62 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' A' ' 117' ' ' ASP . 56.9 Cg_endo -71.62 -174.23 1.22 Allowed 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.704 2.269 . . . . 0.0 111.997 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 30.0 mt -80.35 22.36 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.341 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 5.6 m -150.78 66.21 7.32 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.483 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -64.01 -21.31 68.41 Favored 'Trans proline' 0 C--N 1.307 -1.605 0 C-N-CA 122.49 2.127 . . . . 0.0 112.14 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.04 -40.4 75.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.42 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 56.0 mt -76.43 -26.04 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.335 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.25 -53.05 59.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.458 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -56.89 -50.38 72.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.606 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.429 ' O ' ' O ' ' A' ' 130' ' ' ASP . 71.0 mt -54.26 -47.89 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.948 0.404 . . . . 0.0 110.2 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.574 ' CZ ' ' CZ ' ' A' ' 131' ' ' ARG . 59.2 t80 -70.96 -31.42 67.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.693 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.61 -68.21 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.34 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.32 -42.23 3.96 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.67 0.271 . . . . 0.0 111.284 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 126' ' ' ILE . 11.5 t0 -74.94 66.89 1.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.982 0.42 . . . . 0.0 110.557 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.574 ' CZ ' ' CZ ' ' A' ' 127' ' ' TYR . 13.0 mmt180 -72.46 -39.87 67.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.568 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -49.95 -49.06 51.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.018 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -66.0 -49.61 67.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.507 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -47.87 -39.8 19.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.548 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -65.37 -35.33 80.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.472 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -63.49 -50.13 70.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.552 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.605 HD12 ' N ' ' A' ' 137' ' ' ILE . 1.5 mp -69.1 -37.12 76.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.325 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' SER . . . . . 0.417 ' O ' ' OG1' ' A' ' 142' ' ' THR . 14.5 t -58.14 -44.0 87.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.818 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -78.95 -30.18 44.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.744 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.423 ' OE2' ' O ' ' A' ' 140' ' ' GLU . 3.0 tm-20 -72.17 -37.95 69.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.457 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -78.16 -4.04 45.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.483 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.714 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 6.5 m -77.85 -60.55 2.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.849 0.356 . . . . 0.0 110.506 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.641 ' NE2' ' SD ' ' A' ' 147' ' ' MET . 34.9 mm-40 -64.83 -31.15 72.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.237 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 62.6 tttt -48.56 -54.57 13.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.817 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -133.23 -33.37 1.13 Allowed 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.513 -0.475 . . . . 0.0 112.221 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.714 ' HB3' ' O ' ' A' ' 142' ' ' THR . . . -53.44 -55.78 22.31 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.801 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' MET . . . . . 0.641 ' SD ' ' NE2' ' A' ' 143' ' ' GLN . 4.1 mtt . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.549 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.441 ' O ' ' OE1' ' B' ' 16' ' ' GLU . 7.5 ptt? . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.583 ' NE2' ' OE2' ' B' ' 16' ' ' GLU . 5.2 tp-100 -122.88 143.55 49.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.633 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.3 pt -149.95 145.88 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.3 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.57 ' CE2' ' CG2' ' B' ' 14' ' ' THR . 25.6 m-85 -98.2 142.8 29.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.54 ' O ' HG23 ' B' ' 5' ' ' VAL . 5.3 m -135.52 124.28 39.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.252 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -122.96 131.37 53.69 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.582 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.464 ' OG1' ' N ' ' B' ' 8' ' ' LEU . 0.0 OUTLIER -110.36 174.74 5.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.605 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.471 HD22 ' N ' ' B' ' 8' ' ' LEU . 3.8 mm? -61.09 -27.01 68.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.34 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' THR . . . . . 0.421 ' OG1' HG23 ' B' ' 7' ' ' THR . 19.9 p -67.93 -4.93 14.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.538 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.68 -8.4 62.44 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.21 130.81 45.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.776 0.322 . . . . 0.0 110.423 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.8 m -137.01 124.94 22.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.356 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 9.0 pt -150.44 147.2 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.613 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.57 ' CG2' ' CE2' ' B' ' 4' ' ' PHE . 19.2 p -84.4 121.68 27.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.573 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.435 ' N ' HD12 ' B' ' 15' ' ' LEU . 11.1 mp -96.4 164.18 12.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.519 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.583 ' OE2' ' NE2' ' B' ' 2' ' ' GLN . 43.5 mm-40 -117.67 126.77 53.09 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.22 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.442 HG22 ' N ' ' B' ' 18' ' ' GLU . 10.7 p -155.5 154.85 6.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.856 0.36 . . . . 0.0 110.776 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.442 ' N ' HG22 ' B' ' 17' ' ' VAL . 26.1 mt-10 -87.53 150.36 48.55 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.233 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.97 -15.32 43.3 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 122.57 2.18 . . . . 0.0 112.357 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.1 m -96.07 -16.95 21.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.751 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -57.3 169.99 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.342 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -119.12 149.42 41.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.446 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 13.2 mm -50.84 -19.61 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.932 0.396 . . . . 0.0 110.417 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -72.52 -30.06 64.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.605 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -85.07 -49.53 8.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.0 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 p -52.8 -35.29 21.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.845 0.355 . . . . 0.0 110.234 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -62.3 -28.85 70.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.988 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.35 -31.13 54.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.822 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.405 ' NZ ' ' CB ' ' B' ' 29' ' ' LYS . 6.6 mtpm? -80.0 -44.42 20.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.43 -179.321 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.466 HG23 ' N ' ' B' ' 31' ' ' GLN . 13.4 tt -59.83 -41.71 86.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.053 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' B' ' 35' ' ' GLY . 7.4 pt20 -65.4 -42.25 92.78 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.476 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -66.28 -28.82 69.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.903 0.382 . . . . 0.0 110.379 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.03 -62.9 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.88 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -81.53 -33.48 31.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.039 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . 106.71 -11.14 41.97 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 29.8 mt -67.91 132.07 92.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -68.49 161.19 46.05 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.127 1.885 . . . . 0.0 112.054 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.06 -34.09 38.94 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.779 2.319 . . . . 0.0 112.299 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -54.99 -38.43 67.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.623 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.587 HE22 HD23 ' B' ' 73' ' ' LEU . 8.3 mm-40 -91.61 -12.38 34.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.594 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -81.24 136.01 35.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.899 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.806 ' HE ' HD11 ' B' ' 44' ' ' ILE . 68.6 ttt180 -145.19 151.31 38.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.192 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.7 mt -125.76 122.64 36.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.866 0.365 . . . . 0.0 110.805 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.806 HD11 ' HE ' ' B' ' 42' ' ' ARG . 45.8 mm -123.69 154.84 30.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.136 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' B' ' 48' ' ' LYS . 25.7 t80 -159.46 114.33 2.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.539 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 45.52 31.14 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.578 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.87 27.93 44.11 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' B' ' 45' ' ' PHE . 69.7 mmtt -125.0 116.97 22.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.801 0.334 . . . . 0.0 110.451 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -81.01 131.74 35.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.563 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.578 ' N ' HD12 ' B' ' 50' ' ' LEU . 10.1 mp -82.07 134.11 35.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.611 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -83.81 153.63 23.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.42 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -65.67 -37.7 87.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -97.45 67.24 0.83 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -148.01 146.89 29.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.722 0.296 . . . . 0.0 110.28 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 28.5 p -98.86 149.06 23.3 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.487 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.52 HD22 ' N ' ' B' ' 56' ' ' LEU . 3.8 mm? -52.41 -45.45 65.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.599 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 12.8 t -58.48 -28.94 65.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.729 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -63.2 -45.09 93.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.742 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -83.34 -4.54 58.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.547 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ASN . . . . . 0.41 ' O ' ' NE2' ' B' ' 62' ' ' GLN . 31.4 m-80 44.09 55.17 5.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.504 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 36.3 mt -83.34 -6.35 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.628 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.527 ' OE1' ' N ' ' B' ' 62' ' ' GLN . 1.1 mp0 55.71 -170.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.527 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -99.74 166.17 11.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.712 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 53.99 48.27 21.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.786 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 13.3 p -105.1 168.11 9.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.547 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 85.0 m -121.41 109.0 14.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.545 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 17.9 mt -91.37 140.76 29.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.447 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.461 ' CD2' ' HB3' ' A' ' 22' ' ' SER . 14.8 t60 -92.35 107.32 19.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.764 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.795 HD13 ' O ' ' B' ' 42' ' ' ARG . 3.8 mm? -89.25 136.2 33.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.272 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 58.4 t -128.6 143.01 42.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.461 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.494 ' O ' ' SD ' ' A' ' 38' ' ' MET . 15.0 mt -97.7 121.58 39.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.736 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 -91.28 85.84 5.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.166 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.587 HD23 HE22 ' B' ' 40' ' ' GLN . 5.5 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.592 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.8 mt -50.0 -19.95 0.83 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.373 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.439 ' HZ3' ' HB3' ' A' ' 4' ' ' LYS . 4.3 mmmm -75.86 -49.07 18.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.529 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -75.04 -35.86 61.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.613 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.4 mt -70.11 -49.02 58.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -52.88 -19.95 2.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.867 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.7 ttpp -67.27 -44.85 78.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.621 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.14 -34.2 65.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.478 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.586 HD12 ' CH2' ' A' ' 33' ' ' TRP . 1.2 tp -50.16 -40.46 46.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.494 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.3 t -59.94 -33.87 72.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.601 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -60.33 -32.77 71.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.68 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.6 mt -85.76 -12.99 49.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.662 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.83 -56.91 4.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.736 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.403 ' HG3' ' H ' ' A' ' 16' ' ' ASP . 0.8 OUTLIER -45.65 -48.65 14.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.643 -179.861 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.403 ' H ' ' HG3' ' A' ' 15' ' ' ARG . 13.7 t0 -176.39 100.51 0.24 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.358 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -80.95 150.65 18.26 Favored 'Trans proline' 0 C--N 1.312 -1.361 0 C-N-CA 122.32 2.014 . . . . 0.0 111.922 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -51.61 127.89 24.23 Favored 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 122.161 1.908 . . . . 0.0 112.108 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.22 -36.25 61.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.782 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -87.9 -3.94 58.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.7 m -151.03 62.58 0.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.787 0.327 . . . . 0.0 110.804 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.6 p -67.52 150.32 49.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.527 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -157.46 155.92 31.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.487 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -157.1 161.61 31.25 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.86 148.14 35.57 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.85 2.367 . . . . 0.0 112.208 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 26' ' ' VAL . 13.5 p -116.37 128.27 73.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.313 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.75 150.47 6.98 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -52.42 -29.79 26.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.791 0.329 . . . . 0.0 110.433 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 29' ' ' ASP . 10.5 p30 -79.74 141.63 36.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.525 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.409 ' C ' ' H ' ' A' ' 32' ' ' HIS . 0.8 OUTLIER -90.65 -9.12 48.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.545 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -62.79 -3.68 1.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.387 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.409 ' H ' ' C ' ' A' ' 30' ' ' MET . 1.1 t-80 -136.29 120.95 18.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.384 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.586 ' CH2' HD12 ' A' ' 10' ' ' LEU . 14.8 m95 -115.11 177.24 4.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.35 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -145.85 169.19 19.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.362 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -167.04 145.97 5.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.347 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.6 m -135.38 148.43 49.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.01 0.433 . . . . 0.0 110.721 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.8 pt -150.85 174.02 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.473 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.508 ' SD ' ' O ' ' B' ' 71' ' ' LEU . 6.2 ttt -129.91 156.44 44.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.315 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 40' ' ' PRO . . . -84.63 114.58 3.95 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 39' ' ' GLY . 73.7 Cg_exo -46.15 179.24 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.241 1.96 . . . . 0.0 112.11 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.416 HD21 ' CD2' ' B' ' 73' ' ' LEU . 3.4 m-20 -71.12 -31.46 67.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.622 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -66.09 -23.12 66.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.571 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.542 ' O ' ' N ' ' A' ' 45' ' ' TYR . 5.9 p -96.71 110.83 55.2 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.406 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.507 ' C ' ' H ' ' A' ' 46' ' ' GLN . 71.5 Cg_exo -45.59 -9.78 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 122.264 1.976 . . . . 0.0 112.322 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.542 ' N ' ' O ' ' A' ' 43' ' ' SER . 48.7 m-85 -68.5 10.7 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.564 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.507 ' H ' ' C ' ' A' ' 44' ' ' PRO . 43.4 mt-30 -45.88 121.58 3.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.463 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.32 -28.28 16.73 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.31 165.36 53.9 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.408 ' O ' HG23 ' A' ' 49' ' ' VAL . 20.5 m -141.64 133.13 27.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.833 0.349 . . . . 0.0 110.603 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -101.55 161.31 13.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.572 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 70' ' ' THR . 31.2 m-85 -140.04 132.06 27.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.292 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.523 HD22 ' CE1' ' A' ' 69' ' ' PHE . 0.3 OUTLIER -137.44 136.3 37.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.441 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 m -108.03 139.94 41.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.543 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.404 HD12 ' N ' ' A' ' 54' ' ' ILE . 3.9 mp -105.13 153.94 6.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.42 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -143.32 116.57 9.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.498 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.452 ' CD1' ' N ' ' A' ' 56' ' ' PHE . 25.2 m-85 -89.18 147.53 38.66 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.367 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.25 154.44 41.32 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 C-N-CA 122.461 2.107 . . . . 0.0 111.91 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.7 p -71.04 -9.33 57.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.268 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.471 ' C ' ' CG ' ' A' ' 60' ' ' TYR . 54.4 t0 -97.44 22.51 8.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.571 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.529 ' O ' ' N ' ' A' ' 62' ' ' PHE . 3.2 m-85 72.05 149.76 0.13 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.575 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' A' ' 63' ' ' LYS . 95.9 Cg_exo -37.25 -24.26 0.05 OUTLIER 'Trans proline' 0 C--N 1.312 -1.384 0 C-N-CA 122.694 2.263 . . . . 0.0 112.311 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.529 ' N ' ' O ' ' A' ' 60' ' ' TYR . 22.5 m-85 -45.78 -15.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.415 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 61' ' ' PRO . 6.8 mptt -113.11 147.27 36.93 Favored Pre-proline 0 CA--C 1.534 0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.231 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -55.54 118.43 5.19 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 C-N-CA 122.196 1.931 . . . . 0.0 111.863 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -79.39 159.29 25.96 Favored 'Trans proline' 0 C--N 1.312 -1.378 0 C-N-CA 122.342 2.028 . . . . 0.0 112.113 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.9 mmtm -96.73 137.01 36.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.484 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 p -137.18 147.96 26.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.463 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -158.6 145.99 17.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.579 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.523 ' CE1' HD22 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -83.52 114.06 21.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.261 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 51' ' ' PHE . 7.6 m -62.53 -46.04 90.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.399 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.7 m -87.39 133.64 33.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.4 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -65.77 148.27 52.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.487 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.4 tt -153.86 137.92 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.389 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -94.79 31.82 1.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.44 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.492 ' O ' ' O ' ' A' ' 76' ' ' PRO . 71.0 t60 -94.64 133.08 27.34 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.374 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.525 ' C ' ' H ' ' A' ' 78' ' ' ILE . 73.0 Cg_exo -43.79 178.23 0.0 OUTLIER 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 122.314 2.01 . . . . 0.0 112.098 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.52 ' N ' ' OD1' ' A' ' 77' ' ' ASN . 1.0 OUTLIER 62.11 -3.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.72 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.525 ' H ' ' C ' ' A' ' 76' ' ' PRO . 47.6 mt -138.43 122.13 20.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.351 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.445 ' N ' ' OD1' ' A' ' 79' ' ' ASN . 1.4 m120 -98.11 -158.24 0.66 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.494 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.5 t -77.21 -18.48 57.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.513 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -81.98 -13.14 57.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.536 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.96 12.37 79.76 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.5 m -59.73 111.83 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.788 0.328 . . . . 0.0 110.503 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.3 mt -92.05 119.49 39.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.548 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 10.4 t -82.18 112.88 19.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.516 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.0 mt -146.95 137.6 23.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.25 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -69.15 -52.02 32.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.969 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.79 ' H ' HD12 ' A' ' 88' ' ' ILE . 0.7 OUTLIER -51.5 -37.33 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.538 -179.624 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -61.47 -35.56 77.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.188 179.819 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 92' ' ' GLN . 15.1 mtp-105 -74.75 -165.19 0.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.801 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.541 ' C ' ' H ' ' A' ' 93' ' ' TRP . 15.4 p -37.31 -30.39 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.379 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 90' ' ' ARG . 18.2 mm100 -71.93 29.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.635 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.541 ' H ' ' C ' ' A' ' 91' ' ' SER . 62.5 t-105 -98.69 102.93 14.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.421 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.4 m -90.11 141.18 27.64 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.569 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -74.07 0.46 8.37 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 122.464 2.109 . . . . 0.0 112.19 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -120.06 17.21 12.48 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.013 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.719 ' C ' HD12 ' A' ' 97' ' ' LEU . 3.7 pp -86.75 152.08 22.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.43 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.523 ' C ' ' H ' ' A' ' 100' ' ' SER . 38.7 p -94.38 125.83 39.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.357 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.3 tt -55.39 -3.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.653 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.523 ' H ' ' C ' ' A' ' 98' ' ' THR . 8.6 t -71.36 -61.05 1.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.651 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -35.71 61.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.468 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 94.0 t -57.33 -39.98 71.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.532 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.5 mt -68.0 -43.56 78.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.721 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.96 -29.5 68.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.291 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.9 t -67.28 -28.6 68.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.461 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.8 mm -71.09 -56.1 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.43 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 16.6 t -51.37 -56.07 15.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.733 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.1 t -51.54 -44.47 62.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.655 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.5 tp -49.79 -51.87 36.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.645 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.405 ' HG ' ' H ' ' A' ' 110' ' ' LEU . 61.6 mt -49.59 -50.67 41.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.654 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 15.7 p -82.85 5.08 22.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.762 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 113' ' ' PRO . 66.0 m-20 -143.45 74.21 17.21 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.608 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.454 ' O ' ' O ' ' A' ' 112' ' ' ASP . 44.2 Cg_exo -53.67 -156.73 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.618 0 C-N-CA 122.871 2.38 . . . . 0.0 112.021 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -166.38 72.16 1.17 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.682 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.92 -30.06 37.75 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.842 2.361 . . . . 0.0 112.23 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' A' ' 117' ' ' ASP . 83.9 m-20 -65.81 -42.3 90.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.705 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 116' ' ' ASP . 84.0 m-20 -141.64 74.81 22.71 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.4 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.494 ' C ' ' H ' ' A' ' 120' ' ' VAL . 74.2 Cg_endo -79.56 -11.62 14.16 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.778 2.319 . . . . 0.0 112.06 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.1 tp 67.86 -9.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.763 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.602 HG22 ' H ' ' A' ' 123' ' ' ILE . 5.9 p -142.17 67.98 21.88 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.218 0.532 . . . . 0.0 110.408 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -43.93 -24.77 0.89 Allowed 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.844 2.363 . . . . 0.0 112.488 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -62.45 -49.99 73.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.556 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.602 ' H ' HG22 ' A' ' 120' ' ' VAL . 90.5 mt -78.12 -32.51 17.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.749 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.05 -40.75 87.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.872 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 45.0 mtp85 -54.79 -32.48 60.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.62 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 130' ' ' ASP . 39.4 mt -77.11 -56.1 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.474 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.569 ' CE1' ' CD ' ' A' ' 131' ' ' ARG . 58.3 t80 -56.12 -31.85 63.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.527 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -53.42 -68.04 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.002 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 27.3 p -99.17 -42.19 7.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.055 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 126' ' ' ILE . 28.4 m-20 -85.36 77.85 9.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.381 . . . . 0.0 110.579 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.569 ' CD ' ' CE1' ' A' ' 127' ' ' TYR . 15.5 tpp85 -88.62 -39.44 14.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.396 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -63.87 -49.01 74.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.685 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -64.93 -43.8 91.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.603 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -48.25 -43.91 32.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.743 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 131' ' ' ARG . 3.9 m120 -53.07 -46.04 68.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.671 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 56.3 ttt-85 -56.95 -40.37 76.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.743 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 9.1 mm -63.88 -35.54 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.661 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' SER . . . . . 0.448 ' O ' ' OG1' ' A' ' 142' ' ' THR . 43.3 m -66.97 -58.93 3.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.674 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -54.84 -52.25 63.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.772 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -51.03 -45.39 61.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.703 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -75.9 -28.25 57.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.584 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 138' ' ' SER . 34.3 m -64.41 -19.16 65.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.766 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.426 ' O ' ' O ' ' A' ' 147' ' ' MET . 37.8 tt0 -76.22 -44.35 38.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.236 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -101.45 -53.37 3.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.756 0.312 . . . . 0.0 111.704 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -74.92 19.35 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -164.05 -2.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.423 -0.511 . . . . 0.0 111.194 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' MET . . . . . 0.426 ' O ' ' O ' ' A' ' 143' ' ' GLN . 46.8 mtt . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.42 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 17.1 ttp . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -114.73 154.9 27.66 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.976 0.417 . . . . 0.0 110.616 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pp -131.18 163.72 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.374 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.613 ' CE1' HG22 ' B' ' 14' ' ' THR . 6.7 m-85 -96.58 142.76 28.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.967 0.413 . . . . 0.0 110.722 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.632 ' O ' HG23 ' B' ' 5' ' ' VAL . 3.8 m -136.95 115.54 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.808 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -95.19 134.38 37.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.956 0.408 . . . . 0.0 111.034 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 15.6 m -89.02 157.07 18.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.582 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 tp -57.3 -18.56 17.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.387 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 18.0 p -91.24 -20.06 22.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.446 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.09 13.46 17.71 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.22 98.45 8.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.74 0.305 . . . . 0.0 110.359 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 11.0 m -95.12 131.41 41.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.784 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 8.4 pt -151.06 147.06 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.413 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.613 HG22 ' CE1' ' B' ' 4' ' ' PHE . 68.1 p -87.32 140.33 29.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.789 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.4 mp -120.29 165.05 15.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.814 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -119.76 117.07 27.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.174 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 12.3 m -137.17 -170.96 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.894 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' B' ' 21' ' ' ASP . 4.9 tt0 -136.06 130.08 18.29 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.002 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -44.37 -34.07 6.94 Favored 'Trans proline' 0 N--CA 1.492 1.412 0 C-N-CA 122.172 1.914 . . . . 0.0 112.252 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.9 m -81.38 -17.07 50.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.551 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' B' ' 18' ' ' GLU . 44.9 t0 -66.87 153.26 43.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.436 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.5 p -91.81 153.36 19.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.76 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.659 ' N ' HD12 ' B' ' 23' ' ' ILE . 2.5 mp -65.1 -9.35 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.356 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -73.09 -29.78 63.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.515 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -82.59 -47.87 11.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.465 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 7.1 p -52.84 -37.52 25.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.402 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.405 ' NZ ' ' OD2' ' B' ' 52' ' ' ASP . 17.4 mttp -57.09 -42.46 80.75 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.351 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.71 -29.58 68.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.631 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -67.85 -44.44 77.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.499 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 83.0 mt -60.16 -31.92 49.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.37 . . . . 0.0 110.138 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.511 ' O ' ' N ' ' B' ' 35' ' ' GLY . 66.6 tt0 -64.34 -54.11 38.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.782 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -62.7 -28.92 70.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.973 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -84.21 -56.71 3.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.917 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.436 ' O ' ' OE1' ' B' ' 34' ' ' GLU . 0.0 OUTLIER -76.94 -37.26 55.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.852 -179.375 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . 100.52 -4.48 56.7 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.51 HG21 HD21 ' B' ' 71' ' ' LEU . 48.1 mt -92.77 132.72 30.6 Favored Pre-proline 0 C--N 1.329 -0.284 0 N-CA-C 110.248 -0.278 . . . . 0.0 110.248 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -68.58 150.14 74.69 Favored 'Trans proline' 0 N--CA 1.494 1.55 0 C-N-CA 121.952 1.768 . . . . 0.0 112.07 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.456 ' C ' ' H ' ' B' ' 40' ' ' GLN . 68.2 Cg_endo -73.12 -27.03 14.3 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 122.82 2.346 . . . . 0.0 112.508 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.437 ' O ' ' OE1' ' B' ' 40' ' ' GLN . 9.0 t70 -54.81 -7.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.747 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.456 ' H ' ' C ' ' B' ' 38' ' ' PRO . 4.1 mp0 -130.12 -1.88 4.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.509 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -126.77 142.5 51.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.9 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.465 ' NH2' ' OE1' ' B' ' 49' ' ' GLN . 9.6 ptm180 -144.3 158.57 43.67 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.473 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.517 ' N ' HD22 ' B' ' 43' ' ' LEU . 3.3 mm? -93.76 143.09 26.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.038 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 22.0 mt -144.15 136.4 22.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.189 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.419 ' O ' ' N ' ' B' ' 48' ' ' LYS . 16.9 t80 -136.78 146.46 45.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.523 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.31 29.14 1.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.687 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.44 28.08 66.46 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' B' ' 45' ' ' PHE . 9.2 mtmp? -135.24 142.96 46.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.811 0.338 . . . . 0.0 110.607 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.465 ' OE1' ' NH2' ' B' ' 42' ' ' ARG . 71.1 mt-30 -82.0 135.42 35.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.637 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.581 ' N ' HD12 ' B' ' 50' ' ' LEU . 9.8 mp -90.14 140.75 29.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.43 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -78.34 143.49 36.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.491 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.2 OUTLIER -71.64 -27.47 63.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.789 -179.854 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.26 -15.65 73.71 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.608 -0.597 . . . . 0.0 111.608 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 6.4 mmt-85 -76.9 177.03 8.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.502 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 42.4 p -131.8 146.95 52.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.174 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.543 ' O ' ' N ' ' B' ' 60' ' ' ASN . 6.7 mp -49.74 -23.11 1.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.113 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 12.0 t -57.52 -36.98 72.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.217 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -74.56 -45.01 48.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.274 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' B' ' 61' ' ' ILE . 56.6 m-85 -82.84 -1.51 52.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.302 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' B' ' 56' ' ' LEU . 50.2 t-20 61.28 -79.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.908 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' B' ' 59' ' ' TYR . 1.3 mt 50.57 98.8 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.5 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -70.73 -177.21 1.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.487 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -73.31 158.44 35.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.45 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 54.98 36.77 27.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.544 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.414 ' O ' ' O ' ' B' ' 4' ' ' PHE . 89.9 p -87.64 148.96 24.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.567 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 11.6 m -107.97 111.11 23.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.501 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.418 HD13 HD12 ' B' ' 43' ' ' LEU . 83.6 mt -90.91 151.76 20.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.442 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -97.45 103.13 15.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.491 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.417 HD11 ' HB ' ' B' ' 5' ' ' VAL . 14.7 mt -89.16 141.48 28.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.442 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 22.2 m -133.36 150.31 32.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.283 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.51 HD21 HG21 ' B' ' 36' ' ' ILE . 12.7 mt -111.89 139.06 47.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.644 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 34.1 mtm105 -112.94 85.89 2.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.232 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.592 ' N ' HD12 ' B' ' 73' ' ' LEU . 7.0 mp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.677 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.594 ' N ' ' CE2' ' A' ' 60' ' ' TYR . . . . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.616 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.1 tt -49.91 -34.12 19.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.515 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -74.81 -53.19 9.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.6 mtt85 -61.43 -50.37 73.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.791 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.407 HD13 ' O ' ' A' ' 30' ' ' MET . 97.3 mt -52.99 -39.0 30.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.732 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.434 ' O ' ' OD1' ' A' ' 7' ' ' ASN . 36.3 t-20 -63.27 -23.78 67.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.973 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.581 ' HZ3' ' HB3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -67.51 -35.61 79.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.622 -179.837 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -70.82 -23.97 62.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.52 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.63 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -71.03 -34.12 71.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.407 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.7 t -59.98 -35.45 75.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.709 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 12' ' ' ASP . 40.4 t0 -83.05 -22.05 33.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.624 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 tp -83.57 -52.57 6.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.66 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.98 -41.13 70.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.816 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.0 ttt85 -79.33 -46.71 17.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.804 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -121.3 79.12 35.79 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.647 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -79.16 161.15 26.37 Favored 'Trans proline' 0 C--N 1.309 -1.526 0 C-N-CA 122.613 2.209 . . . . 0.0 112.084 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.38 135.04 38.1 Favored 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 122.689 2.26 . . . . 0.0 112.165 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.1 -52.05 11.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.798 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.472 ' CG ' ' N ' ' A' ' 21' ' ' CYS . 4.6 pt20 -85.98 -54.49 4.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.674 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.472 ' N ' ' CG ' ' A' ' 20' ' ' GLN . 22.6 m -71.62 165.9 22.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.432 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.5 t -140.25 127.2 20.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.655 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -142.24 153.96 44.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.399 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -165.15 110.05 0.39 Allowed Glycine 0 CA--C 1.531 1.061 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -49.87 146.26 16.75 Favored 'Trans proline' 0 N--CA 1.493 1.468 0 C-N-CA 122.129 1.886 . . . . 0.0 111.944 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.426 ' O ' ' O ' ' A' ' 27' ' ' GLY . 44.5 t -100.92 151.95 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.509 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 26' ' ' VAL . . . -55.7 -161.47 0.02 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 29' ' ' ASP . 72.6 m-20 54.81 71.25 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 110.588 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 28' ' ' ASP . 3.2 m-20 59.76 143.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.609 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.407 ' O ' HD13 ' A' ' 6' ' ' ILE . 4.1 mtp -79.24 67.98 5.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.623 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -125.4 -27.15 3.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.205 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -104.36 120.72 41.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.235 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -116.97 156.6 27.17 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.4 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -124.57 156.26 37.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.389 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -155.56 158.94 39.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.892 0.377 . . . . 0.0 110.779 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.6 m -146.2 155.09 42.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.561 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 pt -145.01 155.09 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.31 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.2 ttt -122.16 126.7 48.89 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.752 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.37 104.31 0.04 OUTLIER Glycine 0 CA--C 1.531 1.046 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -47.81 169.37 0.07 OUTLIER 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.217 1.945 . . . . 0.0 112.095 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -80.74 -173.27 4.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.64 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.2 t70 50.47 33.62 8.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.648 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 p -157.12 151.44 20.14 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -69.52 -11.84 32.03 Favored 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 122.429 2.086 . . . . 0.0 111.897 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -73.98 -19.75 60.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.571 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -65.17 116.89 7.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.528 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 138.62 10.95 0.88 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -151.94 166.8 31.01 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 49' ' ' VAL . 35.9 m -127.88 125.87 65.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.882 0.372 . . . . 0.0 110.484 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -95.37 179.92 5.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.386 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -140.11 129.23 23.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.552 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.2 tt -130.36 158.76 38.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.225 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.8 m -145.72 132.21 19.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.899 0.38 . . . . 0.0 110.82 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.536 HD13 HD11 ' A' ' 99' ' ' ILE . 1.7 mp -98.57 133.09 42.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.135 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -113.56 115.48 28.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.86 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -85.64 126.87 65.1 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.178 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.499 ' C ' ' H ' ' A' ' 59' ' ' ASP . 87.4 Cg_endo -80.97 140.31 12.55 Favored 'Trans proline' 0 C--N 1.312 -1.372 0 C-N-CA 122.353 2.035 . . . . 0.0 112.097 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 43.6 p -52.29 -9.89 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.024 0.44 . . . . 0.0 109.892 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.499 ' H ' ' C ' ' A' ' 57' ' ' PRO . 5.2 t0 -83.99 23.72 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.48 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.594 ' CE2' ' N ' ' A' ' 2' ' ' ALA . 54.9 m-85 67.35 154.36 0.13 Allowed Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.984 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.573 ' O ' ' N ' ' A' ' 63' ' ' LYS . 32.5 Cg_exo -54.88 -44.28 51.23 Favored 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 122.865 2.377 . . . . 0.0 113.709 -179.298 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.442 ' HA ' ' HE1' ' A' ' 93' ' ' TRP . 1.3 p90 -44.83 -11.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.343 -178.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.573 ' N ' ' O ' ' A' ' 61' ' ' PRO . 18.3 mmtt -98.92 142.57 24.83 Favored Pre-proline 0 CA--C 1.533 0.294 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.335 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -52.6 116.91 3.18 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.116 1.878 . . . . 0.0 111.868 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -80.36 172.15 13.99 Favored 'Trans proline' 0 C--N 1.312 -1.35 0 C-N-CA 122.43 2.087 . . . . 0.0 112.187 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -106.76 96.34 6.37 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.576 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.1 p -93.13 148.06 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.368 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -155.24 150.93 27.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.883 0.373 . . . . 0.0 110.8 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.73 120.24 26.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.221 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.7 m -77.01 -28.41 54.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.67 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.8 m -106.44 114.49 28.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.671 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -49.99 145.48 5.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.253 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.5 tt -153.3 138.77 11.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.71 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -84.93 92.9 8.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.11 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -146.19 142.16 17.31 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.164 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -69.93 -27.38 25.73 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.281 1.987 . . . . 0.0 111.894 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -82.41 -27.0 32.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.316 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 23.0 mm -105.56 131.4 55.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.262 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.454 HD22 HG22 ' A' ' 120' ' ' VAL . 6.9 t-20 -92.14 172.54 8.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.798 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.2 m -85.43 -23.59 27.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.384 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -76.11 -15.42 60.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.575 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.452 ' O ' HD12 ' A' ' 84' ' ' ILE . . . 104.1 10.39 34.49 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.1 p -86.47 127.85 34.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.71 0.291 . . . . 0.0 110.426 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.452 HD12 ' O ' ' A' ' 82' ' ' GLY . 5.0 mp -125.63 145.78 32.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.642 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 21.8 t -97.73 112.97 24.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.27 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.3 mp -133.86 128.43 34.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.688 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -69.14 -47.99 63.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.415 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.409 ' H ' HG13 ' A' ' 88' ' ' ILE . 2.4 pp -55.62 -13.24 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.692 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.8 -12.32 22.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.756 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.433 ' CG ' ' N ' ' A' ' 91' ' ' SER . 6.8 ttp180 -80.63 -110.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.696 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.483 ' C ' ' H ' ' A' ' 93' ' ' TRP . 15.0 p -93.12 -20.23 20.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.657 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -75.64 25.94 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.558 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.483 ' H ' ' C ' ' A' ' 91' ' ' SER . 75.2 t-105 -82.23 102.94 11.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.407 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 96' ' ' ALA . 1.4 m -82.11 119.58 75.36 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.475 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -46.6 -7.14 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.433 2.088 . . . . 0.0 112.708 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.526 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -144.1 63.67 1.33 Allowed 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.351 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.422 ' H ' ' HG ' ' A' ' 97' ' ' LEU . 2.7 pp -104.22 152.06 22.63 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.326 179.238 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.6 m -76.52 135.96 39.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.525 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.536 HD11 HD13 ' A' ' 54' ' ' ILE . 5.3 tp -51.21 -39.5 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.583 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.471 ' N ' HG23 ' A' ' 99' ' ' ILE . 8.2 t -69.78 -12.94 62.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.877 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -62.25 -45.5 93.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.686 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.441 ' H ' HG12 ' A' ' 102' ' ' VAL . 2.1 p -73.01 -33.94 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.665 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 42.8 mt -63.92 -39.22 93.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.814 0.34 . . . . 0.0 110.431 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.2 mt -68.18 -40.92 82.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.61 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 59.6 m -51.38 -39.51 57.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.635 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.4 mt -67.21 -43.64 88.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.662 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 46.2 t -50.96 -53.43 33.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.638 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 52.9 p -53.07 -24.87 10.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.695 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.511 HD13 ' O ' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -73.38 -52.11 14.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.513 -179.841 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.504 HD12 ' N ' ' A' ' 110' ' ' LEU . 10.7 mp -58.38 -40.26 81.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.622 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 12.2 t -74.16 -48.29 30.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.609 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 113' ' ' PRO . 12.5 t70 -113.23 96.43 39.17 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.572 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 112' ' ' ASP . 70.4 Cg_exo -48.76 -174.97 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.427 2.084 . . . . 0.0 112.068 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -156.73 84.74 3.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.699 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -78.67 2.04 8.53 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.476 2.117 . . . . 0.0 112.02 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -81.47 106.04 13.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.377 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.408 ' N ' ' HD3' ' A' ' 118' ' ' PRO . 42.3 t0 43.41 65.74 5.28 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.636 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 117' ' ' ASP . 34.1 Cg_exo -58.01 -146.2 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.711 2.274 . . . . 0.0 112.073 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.2 tp -132.91 -25.64 1.82 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.25 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.454 HG22 HD22 ' A' ' 79' ' ' ASN . 3.2 t -122.43 80.12 46.13 Favored Pre-proline 0 C--N 1.332 -0.192 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.319 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -46.48 -32.29 11.07 Favored 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.734 2.29 . . . . 0.0 112.432 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -61.98 -47.62 84.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.012 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 70.8 mt -77.05 -35.02 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.065 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.15 -40.39 86.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.338 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -54.75 -31.95 59.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.74 0.305 . . . . 0.0 110.848 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.527 ' O ' ' N ' ' A' ' 130' ' ' ASP . 43.5 mt -70.82 -51.31 37.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.872 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 127' ' ' TYR . 25.9 t80 -71.22 -31.87 68.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.152 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -64.58 -30.82 71.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.544 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 35.3 p -117.99 -42.31 2.83 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.701 0.286 . . . . 0.0 111.244 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 126' ' ' ILE . 0.9 OUTLIER -106.34 109.22 21.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.807 -179.641 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 33.8 mmm-85 -93.76 -44.57 8.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.637 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -60.87 -49.01 79.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.653 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 32.9 tttm -61.48 -28.94 69.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.577 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -75.97 -27.92 57.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.586 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -63.26 -46.02 88.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.019 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.434 ' HG3' ' H ' ' A' ' 137' ' ' ILE . 11.0 ptp180 -64.64 -49.94 69.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.071 -179.482 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.434 ' H ' ' HG3' ' A' ' 136' ' ' ARG . 20.4 mt -61.16 -48.76 87.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.709 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 92.5 p -45.92 -46.41 16.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.495 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 32.8 ttm-85 -79.18 -33.24 44.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.704 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -62.56 -38.14 88.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.583 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -84.13 -13.57 52.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.62 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.648 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 92.9 m -69.91 -60.31 2.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.82 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -61.65 -31.52 71.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.862 0.363 . . . . 0.0 110.911 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -59.29 -37.3 77.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.028 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -125.98 -33.41 2.68 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.86 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.648 ' HB3' ' O ' ' A' ' 142' ' ' THR . . . -66.81 -71.04 0.21 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.727 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 14.6 mtt . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.565 179.933 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.559 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -153.12 145.8 24.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.278 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.756 HD13 ' H ' ' B' ' 3' ' ' ILE . 0.1 OUTLIER -148.45 148.11 16.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.483 179.709 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -93.78 120.57 34.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.508 ' O ' HG23 ' B' ' 5' ' ' VAL . 10.5 m -102.19 126.25 56.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.754 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -112.64 118.59 35.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.661 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.516 HG22 ' N ' ' B' ' 8' ' ' LEU . 47.6 m -94.67 161.89 14.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.375 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.516 ' N ' HG22 ' B' ' 7' ' ' THR . 2.2 tp -59.02 -16.66 19.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.473 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 65.1 p -83.28 1.74 39.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.588 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.12 -3.1 85.63 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -65.13 123.08 18.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.776 0.322 . . . . 0.0 110.518 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 60.8 m -130.02 121.07 25.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.561 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 7.5 pt -150.99 147.1 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.66 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.73 123.95 30.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.417 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.0 mp -98.35 138.05 36.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.301 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -91.37 113.69 26.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.182 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' B' ' 1' ' ' MET . 7.2 p -150.08 145.43 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.768 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -80.0 150.18 71.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.38 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.29 -15.55 46.14 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.629 2.219 . . . . 0.0 112.229 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.1 m -95.52 -14.99 23.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.623 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -56.99 165.01 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.449 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.475 HG23 ' O ' ' B' ' 54' ' ' ARG . 3.1 m -116.53 140.77 49.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.682 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 30.7 mm -45.33 -39.06 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -48.94 -38.14 22.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.576 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -85.11 -45.67 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.779 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.591 ' HA ' ' HZ2' ' B' ' 29' ' ' LYS . 11.9 t -53.0 -48.86 51.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.69 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -50.88 -41.68 58.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.523 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.28 -27.82 66.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.194 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.591 ' HZ2' ' HA ' ' B' ' 26' ' ' VAL . 1.6 ttmp? -73.75 -54.35 8.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.305 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 14.6 tt -59.3 -32.0 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.796 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -59.92 -53.75 54.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.591 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.34 -29.93 61.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.678 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.2 tttp -53.93 -66.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.783 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -82.45 -34.8 27.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.755 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.48 52.29 0.72 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 62.0 mt -128.08 112.27 20.07 Favored Pre-proline 0 C--N 1.33 -0.247 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.34 156.04 6.18 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 122.032 1.821 . . . . 0.0 112.162 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -69.87 -7.88 22.2 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.838 2.359 . . . . 0.0 112.428 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -67.39 -16.78 64.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.861 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -130.23 -10.23 4.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.078 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -65.63 117.97 8.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 110.631 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -145.17 115.98 7.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.404 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.604 HD12 ' N ' ' B' ' 43' ' ' LEU . 9.4 mp -87.78 136.68 32.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.759 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' B' ' 44' ' ' ILE . 6.8 tp -136.01 141.5 41.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.652 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -147.88 112.33 5.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.461 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.9 31.94 21.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.508 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.93 -8.1 52.2 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -87.97 116.88 26.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.769 0.319 . . . . 0.0 110.503 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -72.65 127.5 32.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.417 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 11.1 mp -76.04 101.27 5.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.371 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -51.55 157.25 1.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.592 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -79.16 -25.4 42.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -103.16 49.23 0.97 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.526 -0.63 . . . . 0.0 111.526 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.475 ' O ' HG23 ' B' ' 22' ' ' THR . 13.1 mmt85 -143.12 169.38 17.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.835 0.35 . . . . 0.0 110.278 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.527 ' O ' ' CZ ' ' B' ' 59' ' ' TYR . 62.0 p -120.38 172.58 7.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.347 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.566 ' N ' HD12 ' B' ' 56' ' ' LEU . 10.0 mp -74.32 -18.76 60.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.379 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.9 p -73.94 -29.04 61.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.571 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.435 ' OD1' ' OG1' ' B' ' 55' ' ' THR . 1.1 m-20 -59.23 -45.11 92.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.625 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.527 ' CZ ' ' O ' ' B' ' 55' ' ' THR . 0.0 OUTLIER -90.81 4.22 52.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.276 179.783 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ASN . . . . . 0.427 ' O ' ' O ' ' B' ' 61' ' ' ILE . 5.1 t30 75.09 -71.64 0.12 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.676 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.427 ' O ' ' O ' ' B' ' 60' ' ' ASN . 27.0 mm 57.04 157.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.537 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.412 ' N ' HG22 ' B' ' 61' ' ' ILE . 84.0 mt-30 -127.15 175.35 8.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.463 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -68.37 148.56 50.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.576 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 54.9 24.38 5.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.507 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 11.7 p -60.69 136.99 58.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.672 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 17.2 m -89.42 108.94 19.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.664 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.49 ' N ' HD12 ' B' ' 67' ' ' LEU . 10.9 mp -98.79 144.04 28.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.3 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.424 ' O ' HD22 ' B' ' 69' ' ' LEU . 21.8 m170 -99.35 141.01 32.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.308 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.424 HD22 ' O ' ' B' ' 68' ' ' HIS . 0.9 OUTLIER -123.44 142.04 51.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.385 -179.735 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 70' ' ' VAL . 34.6 m -142.34 124.53 13.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.557 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.548 ' N ' HD12 ' B' ' 71' ' ' LEU . 10.2 mp -84.42 133.58 34.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.475 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -83.5 108.49 16.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.568 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.435 HD12 ' O ' ' B' ' 71' ' ' LEU . 4.5 mp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.388 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.694 HD12 ' N ' ' A' ' 3' ' ' LEU . 5.9 mp -66.17 -28.1 68.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.442 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.0 mttm -61.25 -49.3 77.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.674 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -38.81 82.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.553 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.0 mt -67.5 -48.53 76.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.675 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -53.32 -24.17 11.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.648 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -69.14 -34.0 74.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.572 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -60.49 -29.01 68.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.574 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.583 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -65.74 -29.92 70.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.457 -179.883 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.5 m -66.13 -27.01 67.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.666 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -73.08 -31.29 64.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.653 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.6 mt -75.11 -20.67 59.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.13 -17.38 46.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.695 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -84.21 -86.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.798 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -117.56 84.74 19.61 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.68 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -49.45 156.66 2.62 Favored 'Trans proline' 0 C--N 1.308 -1.562 0 C-N-CA 122.497 2.131 . . . . 0.0 111.917 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.402 ' C ' ' HZ1' ' B' ' 6' ' ' LYS . 55.6 Cg_endo -71.15 140.2 37.05 Favored 'Trans proline' 0 C--N 1.309 -1.532 0 C-N-CA 122.599 2.199 . . . . 0.0 112.114 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.05 -52.07 11.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.637 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -99.14 -34.99 10.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.708 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.436 ' O ' ' OG ' ' A' ' 22' ' ' SER . 0.1 OUTLIER -76.2 175.32 9.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.484 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' A' ' 21' ' ' CYS . 3.6 m -168.17 95.23 0.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.367 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.36 160.84 25.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.72 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.52 158.75 14.96 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -73.44 131.96 16.98 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.582 2.188 . . . . 0.0 112.165 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.1 m -130.19 93.79 2.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.496 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 143.51 165.12 10.63 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -74.74 2.43 10.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 0.0 110.428 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -133.12 128.34 35.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.372 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.3 mtp -74.48 6.61 3.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.666 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.646 ' CZ ' HD11 ' A' ' 3' ' ' LEU . 39.0 m-85 -78.29 7.34 6.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.287 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -147.97 120.91 8.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.617 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -118.06 177.22 4.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.072 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -143.44 157.81 44.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.368 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -162.28 149.19 13.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.464 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.5 p -144.19 152.16 40.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.978 0.418 . . . . 0.0 110.747 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.419 ' CG2' ' SG ' ' A' ' 21' ' ' CYS . 5.8 pt -151.5 128.28 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.386 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.607 ' SD ' ' N ' ' A' ' 39' ' ' GLY . 1.1 tmm? -86.5 141.66 28.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.403 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.607 ' N ' ' SD ' ' A' ' 38' ' ' MET . . . -39.3 110.18 0.14 Allowed Glycine 0 CA--C 1.531 1.087 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -43.94 155.32 0.22 Allowed 'Trans proline' 0 N--CA 1.491 1.382 0 C-N-CA 122.214 1.943 . . . . 0.0 112.2 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -81.63 163.18 22.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.628 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.418 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 10.5 t70 61.88 32.33 18.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.745 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.6 t -157.05 145.65 14.61 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.538 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.514 ' O ' ' N ' ' A' ' 46' ' ' GLN . 80.3 Cg_exo -38.87 -43.91 2.29 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 C-N-CA 122.637 2.225 . . . . 0.0 112.397 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -44.94 -15.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.833 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' A' ' 44' ' ' PRO . 8.3 mm100 -45.98 117.12 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.403 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.4 58.66 2.53 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -161.63 102.42 0.21 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.493 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 29.3 m -80.39 149.87 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.785 0.326 . . . . 0.0 110.552 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.493 ' CD1' ' O ' ' A' ' 49' ' ' VAL . 46.5 m-85 -145.43 136.27 24.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.55 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -109.88 150.83 27.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.384 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.72 147.62 26.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.36 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.77 167.08 12.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.339 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.431 ' N ' HD12 ' A' ' 54' ' ' ILE . 4.3 mp -137.76 124.37 27.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.597 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -97.59 156.1 16.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.554 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -136.15 105.94 9.5 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.642 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.404 ' O ' ' N ' ' A' ' 60' ' ' TYR . 71.6 Cg_endo -81.16 157.5 20.1 Favored 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 122.279 1.986 . . . . 0.0 111.869 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 34.4 p -48.98 -36.15 16.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 110.408 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -89.26 23.14 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.394 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.565 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 46.9 t80 -43.68 -53.68 11.87 Favored Pre-proline 0 CA--C 1.534 0.347 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.588 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 60' ' ' TYR . 13.5 Cg_endo -55.8 -7.5 1.6 Allowed 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 122.13 1.887 . . . . 0.0 112.369 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -123.2 -37.01 2.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.982 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -109.7 119.23 48.38 Favored Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.691 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -52.3 162.35 2.17 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 122.036 1.824 . . . . 0.0 111.635 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.27 165.22 28.08 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 C-N-CA 122.635 2.223 . . . . 0.0 112.209 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.6 90.36 3.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.315 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.0 t -80.88 134.39 27.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.3 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -141.82 138.98 32.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.368 . . . . 0.0 110.884 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -84.35 110.28 18.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.296 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.442 ' H ' HG23 ' A' ' 70' ' ' THR . 7.7 p -61.71 -20.04 63.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.439 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.2 m -106.74 103.04 12.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.536 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.4 114.78 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.399 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 16.7 tt -116.43 156.7 17.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.562 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -94.22 47.6 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.412 ' O ' ' O ' ' A' ' 78' ' ' ILE . 1.6 t-80 -101.22 116.32 63.99 Favored Pre-proline 0 CA--C 1.532 0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.537 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.494 ' C ' ' H ' ' A' ' 78' ' ' ILE . 75.1 Cg_exo -44.45 -50.04 8.44 Favored 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 122.267 1.978 . . . . 0.0 112.269 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.498 HD22 ' N ' ' A' ' 77' ' ' ASN . 1.3 m-80 -55.73 -4.37 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.771 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.494 ' H ' ' C ' ' A' ' 76' ' ' PRO . 5.2 mp -140.03 130.89 31.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.666 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.42 ' ND2' HG22 ' A' ' 120' ' ' VAL . 3.7 m120 -88.33 -175.81 5.13 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.352 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 84.8 p -79.21 -15.83 57.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.316 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -78.99 -15.21 58.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.479 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 98.61 2.17 57.55 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.7 t -64.74 109.88 2.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.723 0.296 . . . . 0.0 110.6 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 6.2 mt -96.38 132.78 39.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.593 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 43.7 t -87.61 113.2 23.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.557 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.3 mt -135.81 147.3 48.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.435 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -69.08 -52.14 31.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.861 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.719 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -51.87 -39.07 24.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.412 ' O ' ' CD2' ' A' ' 89' ' ' LEU . 1.1 tt -79.92 33.53 0.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.671 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.476 ' HB3' ' H ' ' A' ' 91' ' ' SER . 1.7 tmm_? -148.08 -94.21 0.08 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.348 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.522 ' C ' ' H ' ' A' ' 93' ' ' TRP . 48.9 m -98.56 -44.15 6.58 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.87 0.367 . . . . 0.0 110.973 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -70.23 29.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.181 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.522 ' H ' ' C ' ' A' ' 91' ' ' SER . 63.1 t-105 -78.66 123.5 27.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 0.0 110.479 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.533 ' H ' HD23 ' A' ' 97' ' ' LEU . 2.6 m -135.94 116.58 11.51 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.613 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -54.26 -1.15 0.12 Allowed 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.536 2.157 . . . . 0.0 112.341 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' A' ' 94' ' ' SER . . . -119.45 30.88 6.87 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.442 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.715 ' C ' HD12 ' A' ' 97' ' ' LEU . 3.9 pp -104.15 152.02 22.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.76 0.315 . . . . 0.0 110.306 179.539 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 32.8 m -93.96 150.61 20.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.898 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.548 HG23 ' N ' ' A' ' 100' ' ' SER . 3.4 tp -57.09 -44.61 83.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.496 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.548 ' N ' HG23 ' A' ' 99' ' ' ILE . 4.4 m -53.0 -39.08 62.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.512 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -53.87 -35.74 61.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.409 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 15.7 t -73.09 -51.43 26.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.72 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 43.5 mt -53.6 -42.78 68.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.684 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.3 mp -59.9 -24.94 64.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.379 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.6 m -74.62 -31.82 62.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.621 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 87.4 mt -70.25 -48.67 59.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.568 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 19.5 m -52.18 -37.36 54.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.685 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.0 m -81.96 -25.01 35.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.701 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.7 tp -67.46 -52.02 44.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.682 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.9 mp -54.75 -51.15 66.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.549 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.401 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 61.0 m -69.75 -14.98 63.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.756 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 111' ' ' CYS . 63.2 m-20 -159.6 81.43 2.49 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.762 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -79.27 -161.34 0.15 Allowed 'Trans proline' 0 C--N 1.309 -1.542 0 C-N-CA 122.503 2.136 . . . . 0.0 111.987 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -131.39 75.56 77.1 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.637 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -49.65 -17.84 2.22 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.745 2.297 . . . . 0.0 112.115 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.97 126.56 33.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.572 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 41.63 60.63 8.56 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.676 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -78.56 -162.53 0.18 Allowed 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.809 2.339 . . . . 0.0 112.258 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.5 tp -92.41 -28.07 17.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.478 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.42 HG22 ' ND2' ' A' ' 79' ' ' ASN . 3.9 t -133.92 76.85 64.06 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.566 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -50.36 -17.96 3.17 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.92 2.413 . . . . 0.0 112.404 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -68.92 -52.07 33.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.787 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 19.7 mt -78.35 -25.91 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.566 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.41 -51.71 68.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.309 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -54.84 -35.1 63.61 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.723 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 130' ' ' ASP . 23.7 mt -58.83 -56.29 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 110.399 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -63.88 -31.83 73.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.395 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -59.36 -62.44 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.11 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 78.7 p -98.41 -42.26 7.43 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.307 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 126' ' ' ILE . 8.9 m-20 -93.11 79.15 4.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.798 0.333 . . . . 0.0 110.685 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 21.6 tpt85 -78.88 -43.0 25.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.471 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -56.0 -47.23 78.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.671 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -59.82 -57.19 13.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.744 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.404 ' O ' ' OG ' ' A' ' 138' ' ' SER . 72.4 t80 -48.55 -35.85 14.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.794 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -67.76 -29.88 69.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 49.6 ttp85 -78.12 -50.06 12.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.879 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.613 HD12 ' N ' ' A' ' 137' ' ' ILE . 1.5 mp -69.07 -45.5 79.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.606 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' A' ' 134' ' ' TYR . 85.6 p -55.31 -42.17 73.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.852 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -78.69 -48.36 15.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.929 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -50.86 -41.53 58.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.415 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' TRP . . . . . 0.532 ' O ' ' N ' ' A' ' 145' ' ' TYR . 13.7 m95 -74.36 -44.69 51.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.332 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.549 ' O ' ' N ' ' A' ' 146' ' ' ALA . 99.6 m -52.34 -53.98 37.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.749 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -55.7 -31.75 62.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -94.35 -18.88 21.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.543 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' TYR . . . . . 0.532 ' N ' ' O ' ' A' ' 141' ' ' TRP . 35.1 m-85 -121.59 19.35 11.18 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 121.141 -0.224 . . . . 0.0 111.239 -179.311 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.549 ' N ' ' O ' ' A' ' 142' ' ' THR . . . -153.32 44.91 0.64 Allowed 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 21.6 mmt . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.419 179.862 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.536 ' SD ' ' CG2' ' B' ' 3' ' ' ILE . 11.4 tmm? . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.438 ' OE1' ' O ' ' B' ' 15' ' ' LEU . 3.8 tp-100 -81.41 145.91 30.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.665 ' C ' HD12 ' B' ' 3' ' ' ILE . 2.4 pp -148.02 153.43 11.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.323 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.577 ' CE2' ' CG2' ' B' ' 14' ' ' THR . 24.8 m-85 -106.92 109.88 21.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.443 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.409 HG12 ' H ' ' B' ' 5' ' ' VAL . 1.4 p -95.68 111.52 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.419 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.402 ' HZ1' ' C ' ' A' ' 18' ' ' PRO . 2.5 ttpm? -99.05 115.97 30.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.0 p -96.23 174.26 6.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.807 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.506 ' O ' HD23 ' B' ' 8' ' ' LEU . 0.7 OUTLIER -76.09 -10.6 59.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.44 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 4.0 m -68.01 -5.35 16.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.507 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.22 25.02 60.18 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.411 ' HB3' ' HZ3' ' B' ' 11' ' ' LYS . 0.0 OUTLIER -125.65 145.55 50.11 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.825 0.345 . . . . 0.0 110.401 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -123.69 107.9 11.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.352 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 15.6 tt -116.41 147.1 20.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.526 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.577 ' CG2' ' CE2' ' B' ' 4' ' ' PHE . 21.7 p -96.76 124.89 40.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.438 ' O ' ' OE1' ' B' ' 2' ' ' GLN . 4.1 mm? -108.36 164.03 12.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.167 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' B' ' 16' ' ' GLU . 16.0 mp0 -116.2 120.44 39.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.499 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -147.14 139.19 18.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.573 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -80.83 151.57 70.99 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.202 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.66 -25.1 40.64 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 122.579 2.186 . . . . 0.0 112.247 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.9 m -85.16 -17.15 38.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.802 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -66.86 141.23 57.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.341 . . . . 0.0 110.276 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.463 ' OG1' ' OD1' ' B' ' 25' ' ' ASN . 6.6 p -68.93 172.97 5.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.463 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.796 ' O ' HG12 ' B' ' 26' ' ' VAL . 44.9 mm -70.4 -49.18 55.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.742 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -48.85 -29.56 4.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.258 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.463 ' OD1' ' OG1' ' B' ' 22' ' ' THR . 6.1 m120 -66.93 -50.26 62.92 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 -178.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.796 HG12 ' O ' ' B' ' 23' ' ' ILE . 7.2 p -56.04 -33.62 36.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.917 -179.2 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -64.09 -29.07 70.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.0 0.429 . . . . 0.0 109.864 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.29 -27.85 61.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.768 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -77.39 -52.98 8.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.94 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 96.7 mt -58.4 -52.05 64.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.974 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' B' ' 35' ' ' GLY . 0.0 OUTLIER -56.68 -37.06 70.33 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.619 -179.716 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -74.72 -28.92 60.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.943 0.401 . . . . 0.0 110.204 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 11.5 tptp -76.62 -45.34 30.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.636 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -92.21 -37.06 12.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.694 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . 109.98 -26.35 14.17 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 75.6 mt -61.84 113.51 8.63 Favored Pre-proline 0 C--N 1.329 -0.308 0 C-N-CA 121.352 -0.139 . . . . 0.0 110.631 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -51.42 146.6 24.68 Favored 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 121.991 1.794 . . . . 0.0 111.864 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.51 ' C ' ' H ' ' B' ' 40' ' ' GLN . 48.8 Cg_exo -51.15 -46.27 32.05 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 122.369 2.046 . . . . 0.0 112.27 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -55.67 -2.22 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.445 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.51 ' H ' ' C ' ' B' ' 38' ' ' PRO . 30.2 mt-30 -117.64 -2.14 11.49 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.656 0.265 . . . . 0.0 110.893 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -147.28 127.85 14.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.959 0.409 . . . . 0.0 110.753 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -115.1 155.05 27.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.148 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 mp -110.3 132.22 54.36 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.936 0.398 . . . . 0.0 110.603 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.532 HD12 HG21 ' B' ' 70' ' ' VAL . 82.5 mt -131.14 141.51 45.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.01 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -129.07 122.48 30.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.543 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.69 29.09 18.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.44 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.93 28.06 63.37 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -132.79 131.5 41.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.786 0.327 . . . . 0.0 110.497 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.626 ' CD ' ' H ' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -68.81 133.63 48.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.622 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 71.7 mt -82.78 111.39 18.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.519 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' B' ' 51' ' ' GLU . 0.3 OUTLIER -49.37 124.36 9.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.281 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -56.72 -35.72 68.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.044 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.66 62.77 0.7 Allowed Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 4.7 mmt-85 -152.17 171.19 18.3 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 10.6 p -111.76 147.0 36.6 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.401 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 18.6 mt -60.36 -27.9 67.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.482 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 8.1 t -59.8 -28.99 67.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.521 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -70.14 -45.06 67.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.599 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -70.18 -1.34 9.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.418 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 48.01 56.83 6.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.787 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 mt -94.37 127.83 46.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.581 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -80.85 -171.2 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.629 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.502 ' C ' ' H ' ' B' ' 65' ' ' SER . 0.0 OUTLIER -85.44 164.09 18.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.509 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 60.13 0.23 0.27 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.672 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.502 ' H ' ' C ' ' B' ' 63' ' ' LYS . 10.1 p -45.14 168.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.463 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.93 110.01 14.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.484 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.582 ' N ' HD12 ' B' ' 67' ' ' LEU . 10.0 mp -95.9 143.39 27.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.417 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -101.2 132.67 46.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.504 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 12.2 tp -111.3 110.59 21.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.635 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.532 HG21 HD12 ' B' ' 44' ' ' ILE . 0.5 OUTLIER -104.37 160.99 4.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.338 179.852 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.566 ' N ' HD12 ' B' ' 71' ' ' LEU . 10.1 mp -93.73 132.43 38.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.636 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -115.76 131.19 57.01 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.421 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.416 ' N ' HD12 ' B' ' 73' ' ' LEU . 1.2 mp . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.598 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.1 mt -51.58 -36.89 47.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.695 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -60.06 -44.69 94.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.714 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.4 mtt-85 -74.97 -43.81 51.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.679 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 90.3 mt -58.86 -44.22 90.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.681 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -62.4 -31.53 72.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.679 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -60.97 -34.07 74.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.526 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -62.51 -30.65 71.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.58 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.556 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -74.23 -21.64 59.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.576 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.8 m -65.12 -51.05 63.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 12' ' ' ASP . 35.8 t0 -75.15 -22.02 58.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.69 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 tp -83.97 -19.43 34.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.671 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.61 -32.7 25.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.777 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.404 HH11 ' HG2' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -79.31 -88.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.574 -179.655 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -113.89 88.88 15.04 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.691 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -80.41 163.96 21.68 Favored 'Trans proline' 0 C--N 1.309 -1.502 0 C-N-CA 122.459 2.106 . . . . 0.0 111.95 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -51.58 127.84 24.01 Favored 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 122.403 2.069 . . . . 0.0 112.061 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.25 -35.34 61.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.686 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -85.57 -44.87 12.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.831 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.2 t -95.49 169.68 9.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.889 0.376 . . . . 0.0 110.617 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.2 m -139.08 155.1 48.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.272 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.99 176.15 3.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.749 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.48 138.24 2.77 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -45.02 146.28 2.61 Favored 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 122.294 1.996 . . . . 0.0 111.978 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.4 t -100.38 93.99 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.331 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.476 ' C ' ' H ' ' A' ' 29' ' ' ASP . . . 86.36 172.7 48.77 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 39.9 t0 -71.87 13.61 0.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.809 0.338 . . . . 0.0 110.593 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.476 ' H ' ' C ' ' A' ' 27' ' ' GLY . 16.5 t70 -107.34 101.91 11.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.549 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.546 ' C ' ' H ' ' A' ' 32' ' ' HIS . 0.1 OUTLIER -55.99 -161.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.129 179.873 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 58.02 0.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.658 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.546 ' H ' ' C ' ' A' ' 30' ' ' MET . 11.1 t-160 -128.12 120.91 28.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.351 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 21.7 m95 -127.81 171.3 11.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.532 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -141.23 157.84 44.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.452 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.728 ' HB2' HD11 ' A' ' 54' ' ' ILE . . . -147.63 157.77 43.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.693 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.3 m -145.96 145.92 30.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.436 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mt -146.61 160.15 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.485 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.463 ' O ' ' C ' ' A' ' 39' ' ' GLY . 0.8 OUTLIER -131.0 129.92 42.69 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.479 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 38' ' ' MET . . . -31.0 96.76 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -50.29 144.68 22.9 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 122.356 2.037 . . . . 0.0 112.088 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 10.6 t-20 -56.52 166.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.478 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.461 ' N ' ' OD1' ' A' ' 41' ' ' ASN . 2.5 m-20 58.12 40.97 24.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.459 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.77 149.25 21.82 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.25 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -69.83 0.6 5.47 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.485 2.123 . . . . 0.0 112.264 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.545 ' OH ' ' CD2' ' A' ' 75' ' ' HIS . 30.8 m-85 -90.07 -5.74 56.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.684 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.453 ' OE1' ' N ' ' A' ' 42' ' ' ASP . 26.4 mt-30 -55.83 116.88 3.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.487 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 141.03 -75.5 0.34 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -78.94 171.94 55.19 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.1 t -123.57 147.01 28.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.73 0.3 . . . . 0.0 110.464 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 37.6 m-85 -109.36 170.86 7.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -140.0 153.09 46.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.382 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.965 HD23 ' N ' ' A' ' 53' ' ' THR . 7.6 tt -149.87 156.71 42.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.406 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.965 ' N ' HD23 ' A' ' 52' ' ' LEU . 2.3 m -137.86 131.26 30.78 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.636 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.885 ' H ' HD12 ' A' ' 54' ' ' ILE . 0.7 OUTLIER -101.62 122.12 53.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.548 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -107.88 144.25 35.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.705 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -115.82 128.39 26.01 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.145 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.491 ' C ' ' H ' ' A' ' 59' ' ' ASP . 93.1 Cg_endo -81.28 135.54 9.6 Favored 'Trans proline' 0 N--CA 1.491 1.325 0 C-N-CA 122.297 1.998 . . . . 0.0 112.106 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.421 HG23 ' H ' ' A' ' 58' ' ' THR . 3.9 p -50.26 -11.48 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.222 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.491 ' H ' ' C ' ' A' ' 57' ' ' PRO . 1.2 m-20 -81.26 23.74 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.567 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.491 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 77.2 m-85 75.65 149.2 0.12 Allowed Pre-proline 0 N--CA 1.463 0.182 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.569 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.521 ' O ' ' N ' ' A' ' 63' ' ' LYS . 50.7 Cg_endo -69.11 -30.39 25.38 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.686 2.257 . . . . 0.0 113.841 -179.041 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 62' ' ' PHE . 2.8 p90 -46.61 -13.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.438 -179.315 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.521 ' N ' ' O ' ' A' ' 61' ' ' PRO . 26.6 mtpt -92.05 154.5 43.37 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.86 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.82 107.67 0.27 Allowed 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.656 2.237 . . . . 0.0 111.908 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.476 ' CD ' ' CZ3' ' A' ' 93' ' ' TRP . 31.5 Cg_exo -55.48 172.13 0.52 Allowed 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.32 2.014 . . . . 0.0 112.267 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.31 82.89 1.71 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.346 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.549 HG23 HD21 ' A' ' 52' ' ' LEU . 3.7 p -86.27 148.07 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.506 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -151.02 135.87 17.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.787 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.451 ' HB2' HD11 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -87.87 106.65 18.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.009 179.735 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -40.01 92.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.691 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.639 HG22 ' N ' ' A' ' 72' ' ' ARG . 93.8 m -86.48 166.58 15.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.577 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.639 ' N ' HG22 ' A' ' 71' ' ' THR . 0.0 OUTLIER -96.51 145.34 25.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.124 179.814 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.1 tt -153.1 136.53 7.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.577 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -93.2 88.19 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.578 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.545 ' CD2' ' OH ' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -138.08 144.94 45.62 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.036 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.403 ' HD2' ' HD1' ' A' ' 75' ' ' HIS . 48.6 Cg_endo -69.88 -24.16 29.43 Favored 'Trans proline' 0 C--N 1.31 -1.468 0 C-N-CA 122.431 2.088 . . . . 0.0 111.816 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -90.69 -17.27 27.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.58 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 48.4 mt -130.32 120.39 48.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.54 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.499 ' ND2' ' H ' ' A' ' 80' ' ' SER . 4.5 t-20 -79.98 159.59 26.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.64 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.499 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 39.7 m -66.91 -21.31 65.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.581 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -72.86 -1.13 15.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.468 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.82 35.09 20.1 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.9 m -96.44 104.77 16.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.759 0.314 . . . . 0.0 110.562 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.801 HD12 ' N ' ' A' ' 84' ' ' ILE . 2.0 mp -91.84 134.36 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.23 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.526 ' SG ' HD13 ' A' ' 119' ' ' LEU . 56.9 m -127.22 126.04 42.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.598 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.1 mt -143.39 163.34 33.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.297 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -69.03 -52.22 30.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.761 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.72 HD12 ' N ' ' A' ' 89' ' ' LEU . 2.8 pp -59.32 -16.79 10.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.747 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.72 ' N ' HD12 ' A' ' 88' ' ' ILE . 2.7 tp -80.84 -12.87 59.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.938 0.399 . . . . 0.0 110.162 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.7 tpt85 -95.87 -130.22 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.472 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.495 ' C ' ' H ' ' A' ' 93' ' ' TRP . 25.7 t -78.81 -17.95 54.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.727 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -72.65 16.32 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.38 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.64 ' CD1' ' N ' ' A' ' 94' ' ' SER . 29.5 t-105 -76.72 157.4 31.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.543 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.64 ' N ' ' CD1' ' A' ' 93' ' ' TRP . 4.6 m -139.68 121.87 10.04 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.302 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -45.77 -9.87 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 122.029 1.82 . . . . 0.0 112.012 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.548 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -110.2 23.01 14.86 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.506 HD23 ' N ' ' A' ' 98' ' ' THR . 2.7 tt -79.89 115.82 19.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.415 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.506 ' N ' HD23 ' A' ' 97' ' ' LEU . 5.3 t -81.95 -171.94 3.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.461 ' N ' ' OG1' ' A' ' 98' ' ' THR . 8.5 mm -92.12 -43.71 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.49 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.1 m -52.91 -18.95 2.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.968 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -82.06 -51.1 8.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.916 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 24.5 t -54.82 -51.45 52.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.734 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.42 ' N ' HD12 ' A' ' 103' ' ' LEU . 8.4 mp -53.08 -50.1 65.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.605 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.536 HD13 ' O ' ' A' ' 104' ' ' LEU . 0.2 OUTLIER -64.15 -45.11 89.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.349 -179.839 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.1 t -48.95 -49.51 40.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.57 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.15 -47.12 95.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.563 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.3 t -55.58 -31.74 62.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.578 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.5 p -71.62 -31.27 66.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.648 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.465 HD22 ' HA ' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -62.31 -49.69 74.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.364 -179.841 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 17.2 mt -63.49 -37.03 85.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.615 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 16.2 t -65.94 -30.51 71.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -145.76 80.15 10.75 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.617 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -79.19 115.34 3.48 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 122.66 2.24 . . . . 0.0 112.197 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -107.79 109.99 62.39 Favored Pre-proline 0 CA--C 1.532 0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.569 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -78.86 37.58 0.67 Allowed 'Trans proline' 0 N--CA 1.491 1.344 0 C-N-CA 122.34 2.027 . . . . 0.0 111.879 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -82.96 -34.15 26.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.738 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -142.01 60.42 10.86 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.803 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -78.86 -174.19 2.18 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.841 2.36 . . . . 0.0 111.951 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.526 HD13 ' SG ' ' A' ' 85' ' ' CYS . 0.2 OUTLIER -134.54 12.86 3.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.349 179.782 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.0 t -138.45 67.63 45.38 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.252 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -44.71 -20.58 0.37 Allowed 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.874 2.382 . . . . 0.0 112.345 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -69.99 -46.97 64.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.586 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 85.2 mt -77.97 -46.28 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.805 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.98 -44.87 60.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.717 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -54.98 -52.08 64.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.678 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' A' ' 130' ' ' ASP . 57.0 mt -57.81 -56.18 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.581 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -55.36 -31.92 62.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.79 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -68.15 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 48.6 p -76.62 -42.22 43.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.219 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' A' ' 126' ' ' ILE . 36.6 m-20 -101.63 94.91 6.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.711 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 5.3 tpt85 -88.03 -30.86 19.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.624 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -74.12 -49.13 25.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.995 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -59.65 -57.23 13.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.728 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.467 ' C ' ' CD1' ' A' ' 134' ' ' TYR . 18.2 t80 -48.55 -44.2 36.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.632 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -54.47 -31.01 54.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.793 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 36.2 ttt85 -76.78 -48.76 17.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.817 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.442 ' N ' HD13 ' A' ' 137' ' ' ILE . 4.4 mm -56.92 -44.48 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.638 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 90.2 p -47.77 -53.09 16.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.055 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -78.78 -33.18 46.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.22 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -50.83 -47.04 60.2 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.796 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' TRP . . . . . 0.443 ' CE3' ' CE2' ' A' ' 145' ' ' TYR . 27.7 m95 -74.17 -42.12 60.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.639 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.562 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 22.9 m -58.5 -18.61 30.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.955 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -75.94 -37.59 58.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.86 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -101.27 -18.94 15.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.205 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' TYR . . . . . 0.443 ' CE2' ' CE3' ' A' ' 141' ' ' TRP . 71.7 m-85 -109.26 19.26 19.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.6 -179.129 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 142' ' ' THR . . . -166.53 5.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.666 -0.413 . . . . 0.0 110.821 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 14.3 mtm . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.396 179.867 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.44 ' N ' ' O ' ' B' ' 17' ' ' VAL . 5.2 ptt? . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -84.96 134.33 34.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.686 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.8 pt -132.34 160.97 42.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.414 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -96.98 133.08 42.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.458 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 59.6 t -123.32 103.0 12.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.528 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -85.54 130.02 34.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.46 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.532 ' OG1' ' N ' ' B' ' 11' ' ' LYS . 35.5 p -86.99 176.62 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.874 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.408 ' O ' HD23 ' B' ' 8' ' ' LEU . 3.2 tt -75.03 -39.17 61.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.047 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.2 p -69.33 -18.29 63.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.647 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.98 -8.18 21.43 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.532 ' N ' ' OG1' ' B' ' 7' ' ' THR . 1.2 tmtp? -63.73 134.19 54.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.718 0.294 . . . . 0.0 110.346 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 60.5 m -127.74 131.61 49.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.783 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 9.0 pt -148.43 147.18 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.45 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 32.1 p -74.56 142.72 44.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.52 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 tp -127.55 134.97 49.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.312 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -88.4 119.39 28.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.526 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.484 HG12 ' N ' ' B' ' 18' ' ' GLU . 3.9 t -143.5 166.78 13.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.635 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.484 ' N ' HG12 ' B' ' 17' ' ' VAL . 6.1 mt-10 -120.45 155.75 56.18 Favored Pre-proline 0 C--N 1.332 -0.166 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.925 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.35 -32.88 40.18 Favored 'Trans proline' 0 C--N 1.308 -1.586 0 C-N-CA 122.653 2.235 . . . . 0.0 112.46 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.7 m -86.42 -17.08 35.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.007 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -57.85 129.83 43.71 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.35 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.67 140.91 49.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.343 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.52 HD12 ' O ' ' B' ' 51' ' ' GLU . 67.3 mt -55.0 -39.69 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.423 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -48.92 -30.01 5.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.562 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -79.91 -34.28 39.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.721 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 86.2 t -53.04 -41.05 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.366 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.416 ' NZ ' ' OD1' ' B' ' 52' ' ' ASP . 1.7 mptm? -57.31 -41.84 80.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.426 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.06 -46.24 85.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.711 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 52.1 mttm -56.16 -53.89 51.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.653 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.634 HG22 HD11 ' B' ' 36' ' ' ILE . 4.4 mm -47.99 -42.8 10.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.732 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.461 ' HA ' ' H ' ' B' ' 36' ' ' ILE . 37.3 tt0 -60.21 -54.3 47.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.323 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -60.21 -28.62 68.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.575 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -83.24 -66.0 0.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.502 ' OE2' ' CG2' ' B' ' 7' ' ' THR . 6.2 mt-10 -85.9 -37.47 19.07 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -178.2 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.477 ' N ' HD13 ' B' ' 36' ' ' ILE . . . 98.76 67.07 0.87 Allowed Glycine 0 CA--C 1.528 0.894 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.978 179.526 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.635 ' N ' HD13 ' B' ' 36' ' ' ILE . 0.0 OUTLIER -139.68 106.0 6.97 Favored Pre-proline 0 CA--C 1.532 0.275 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.143 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' B' ' 39' ' ' ASP . 50.4 Cg_exo -51.17 115.8 2.27 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 121.991 1.794 . . . . 0.0 112.21 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -47.37 -12.17 0.11 Allowed 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.536 2.157 . . . . 0.0 112.439 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' B' ' 37' ' ' PRO . 20.5 m-20 -60.32 -28.3 68.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.303 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -130.24 -1.86 4.51 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.499 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -95.6 136.41 36.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.007 0.432 . . . . 0.0 111.13 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.701 ' HE ' ' NH2' ' B' ' 72' ' ' ARG . 0.3 OUTLIER -145.15 146.72 31.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.894 179.466 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.423 HD12 ' N ' ' B' ' 43' ' ' LEU . 6.7 mp -108.37 157.45 18.38 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.984 0.421 . . . . 0.0 110.748 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.441 HD11 HH11 ' B' ' 42' ' ' ARG . 11.7 mt -144.01 130.43 16.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.409 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -111.92 130.23 55.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.499 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.13 33.52 7.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.495 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.6 18.72 80.01 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -122.73 117.96 26.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.775 0.322 . . . . 0.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -56.3 130.35 44.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.439 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.656 ' N ' HD12 ' B' ' 50' ' ' LEU . 8.7 mp -68.11 -178.95 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.569 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.526 ' OE1' ' NE ' ' B' ' 54' ' ' ARG . 91.8 mt-10 -132.68 116.47 16.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.366 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.416 ' OD1' ' NZ ' ' B' ' 27' ' ' LYS . 3.9 m-20 -61.67 -21.87 64.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.96 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.97 -67.71 1.92 Allowed Glycine 0 CA--C 1.528 0.846 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.099 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.526 ' NE ' ' OE1' ' B' ' 51' ' ' GLU . 9.5 ptp180 -76.75 174.02 10.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.996 0.427 . . . . 0.0 111.297 -178.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.447 ' O ' ' OD1' ' B' ' 58' ' ' ASP . 16.9 p -91.41 -173.46 3.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.78 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.413 HD22 HG21 ' B' ' 61' ' ' ILE . 13.3 mt -80.34 -21.74 42.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.763 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 35.5 p -53.89 -38.89 65.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.044 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' B' ' 55' ' ' THR . 0.1 OUTLIER -66.94 -33.68 76.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.752 -179.727 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.473 ' C ' ' H ' ' B' ' 61' ' ' ILE . 35.0 m-85 -81.41 15.7 1.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.587 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 55.52 6.12 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.809 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.473 ' H ' ' C ' ' B' ' 59' ' ' TYR . 50.2 mt -75.59 121.61 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.237 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -163.05 92.26 0.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.77 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 44.4 tttt 66.98 148.96 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.748 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 51.28 33.65 10.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.42 ' CB ' HG23 ' B' ' 61' ' ' ILE . 84.6 p -105.12 134.1 48.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.608 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 26.4 m -101.84 113.88 27.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.424 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 10.7 mt -102.6 132.44 48.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.67 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -89.03 110.69 21.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.342 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.4 tp -77.54 142.11 39.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.628 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 33.1 t -135.74 112.02 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.208 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.528 HD23 ' N ' ' B' ' 72' ' ' ARG . 1.7 tt -94.22 111.71 23.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.732 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.701 ' NH2' ' HE ' ' B' ' 42' ' ' ARG . 30.4 ttm-85 -81.39 158.81 24.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.115 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.406 ' N ' HD12 ' B' ' 73' ' ' LEU . 2.5 mp . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.593 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.578 HD12 ' N ' ' A' ' 3' ' ' LEU . 10.0 mp -50.27 -31.56 14.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.44 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -64.77 -45.08 87.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.294 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -71.23 -38.08 71.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.386 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 75.6 mt -68.42 -38.95 80.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.439 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -62.5 -21.03 65.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.455 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.7 tttt -60.94 -47.31 87.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.406 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.451 ' HG2' ' H ' ' A' ' 99' ' ' ILE . 23.1 mp0 -59.55 -52.04 67.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.613 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.559 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -49.93 -33.72 18.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.324 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.0 t -61.27 -38.93 88.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.471 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.31 -51.35 63.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.454 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 13' ' ' LEU . 9.0 mp -54.92 -27.88 46.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.151 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.54 -16.87 60.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.265 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 56.9 mtp85 -100.71 -57.08 2.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.79 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.41 ' O ' ' OD2' ' A' ' 16' ' ' ASP . 6.4 p-10 -161.77 89.1 1.49 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.952 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -55.07 161.42 6.66 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.513 2.142 . . . . 0.0 111.453 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 21' ' ' CYS . 18.9 Cg_endo -60.28 129.97 32.12 Favored 'Trans proline' 0 C--N 1.307 -1.631 0 C-N-CA 122.368 2.046 . . . . 0.0 111.584 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.14 -52.14 13.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.066 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -60.62 -56.04 26.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.791 0.329 . . . . 0.0 110.663 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.64 ' SG ' ' N ' ' A' ' 22' ' ' SER . 19.4 t -107.37 168.11 9.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.64 ' N ' ' SG ' ' A' ' 21' ' ' CYS . 1.8 p -121.61 169.94 10.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.88 0.371 . . . . 0.0 110.652 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.73 159.42 5.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.487 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.06 116.81 0.46 Allowed Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -80.58 148.14 17.97 Favored 'Trans proline' 0 N--CA 1.49 1.316 0 C-N-CA 122.321 2.014 . . . . 0.0 112.134 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.407 HG12 ' H ' ' A' ' 28' ' ' ASP . 6.4 t -69.28 111.32 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.529 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -44.13 -25.91 0.79 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.407 ' H ' HG12 ' A' ' 26' ' ' VAL . 1.2 m-20 -47.52 -61.82 1.74 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.781 0.324 . . . . 0.0 110.644 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -142.41 149.59 39.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.638 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -88.02 52.37 2.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.521 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -141.13 8.54 2.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.29 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -134.17 120.87 20.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.865 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 40.9 m95 -124.71 143.58 50.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.703 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -128.55 159.9 34.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.387 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -158.62 141.16 14.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.708 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.9 m -125.01 154.81 40.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.426 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.5 pt -139.97 125.47 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.628 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.591 ' SD ' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -91.31 131.45 36.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.403 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.591 ' N ' ' SD ' ' A' ' 38' ' ' MET . . . -40.66 123.0 2.26 Favored Glycine 0 CA--C 1.531 1.086 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.26 161.66 31.88 Favored 'Trans proline' 0 N--CA 1.492 1.416 0 C-N-CA 122.209 1.939 . . . . 0.0 112.073 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -83.21 46.59 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.527 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.416 ' OD2' ' O ' ' A' ' 42' ' ' ASP . 23.9 t70 -161.21 23.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.51 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.6 t -152.97 142.98 15.2 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.216 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -70.18 64.18 2.04 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.314 2.009 . . . . 0.0 111.92 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -150.77 -1.25 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.348 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -46.47 149.21 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.499 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.5 35.33 63.01 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -150.87 138.5 6.66 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.4 m -115.19 148.17 18.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.795 0.331 . . . . 0.0 110.56 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.581 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 1.9 m-85 -137.54 138.23 39.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.455 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.402 ' O ' ' OG1' ' A' ' 70' ' ' THR . 61.1 m-85 -101.31 138.16 38.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.475 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.02 112.46 16.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.093 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.73 131.29 36.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.408 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.7 mp -113.62 112.79 41.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.577 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -78.0 132.83 37.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.306 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -109.33 105.42 57.18 Favored Pre-proline 0 CA--C 1.532 0.251 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.83 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -83.75 167.14 13.16 Favored 'Trans proline' 0 C--N 1.312 -1.359 0 C-N-CA 122.427 2.084 . . . . 0.0 111.691 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.9 p -63.94 -34.78 78.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.913 0.387 . . . . 0.0 110.412 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -84.57 23.79 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.664 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.579 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 80.0 t80 -54.62 -37.54 56.19 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.081 -179.384 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 60' ' ' TYR . 17.7 Cg_exo -64.49 -14.75 46.1 Favored 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 121.982 1.788 . . . . 0.0 112.407 -179.271 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -123.21 -49.39 1.94 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.81 0.338 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.79 133.59 26.35 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.205 -179.578 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -69.89 161.34 46.32 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 122.204 1.936 . . . . 0.0 112.291 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.17 166.1 30.89 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.657 2.238 . . . . 0.0 112.264 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 48.1 tttm -108.83 84.0 1.85 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.415 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.7 p -81.02 148.1 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -151.12 145.9 25.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.541 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.76 114.14 8.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.232 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 51' ' ' PHE . 56.6 p -64.74 -19.97 66.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.668 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 p -123.23 148.78 45.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.532 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -79.51 123.16 27.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.148 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.508 HG23 ' O ' ' A' ' 73' ' ' ILE . 14.7 tt -134.59 120.86 33.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.587 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.678 ' CD2' HD12 ' A' ' 137' ' ' ILE . 0.2 OUTLIER -64.21 98.74 0.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.233 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.538 ' ND1' ' OD1' ' A' ' 77' ' ' ASN . 1.6 t-80 -152.13 121.02 3.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.178 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.497 ' C ' ' H ' ' A' ' 78' ' ' ILE . 84.5 Cg_exo -43.22 -51.75 5.47 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 C-N-CA 122.239 1.959 . . . . 0.0 112.343 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.962 HD22 HD12 ' A' ' 109' ' ' LEU . 1.3 p30 -65.54 6.58 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.497 ' H ' ' C ' ' A' ' 76' ' ' PRO . 10.4 mt -148.21 115.87 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.654 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 80' ' ' SER . 18.4 t-20 -78.47 -157.33 0.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.558 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.446 ' N ' ' OD1' ' A' ' 79' ' ' ASN . 8.4 t -88.76 -26.2 21.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.744 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -73.03 3.67 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.576 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.22 5.26 87.3 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.426 ' O ' HG23 ' A' ' 78' ' ' ILE . 3.7 m -56.41 143.67 33.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.332 . . . . 0.0 110.541 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 6.3 mt -131.25 130.06 63.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.516 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 12.2 t -94.66 112.76 24.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.655 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.9 mt -130.51 145.64 51.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.03 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -65.73 -52.07 54.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.912 -179.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.54 ' N ' HD13 ' A' ' 88' ' ' ILE . 0.1 OUTLIER -58.97 -20.4 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.566 -178.92 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.0 tp -90.67 27.89 1.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 110.44 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -140.42 -102.18 0.15 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 27.3 p -97.91 -17.14 19.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.642 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -87.75 18.53 3.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.659 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 72.1 t-105 -76.02 151.59 37.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.173 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.4 m -142.66 126.38 9.54 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.62 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -45.82 -35.84 14.2 Favored 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 122.179 1.919 . . . . 0.0 112.134 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.83 5.55 51.3 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.966 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.3 tt -43.9 149.69 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.468 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.7 p -105.95 131.98 52.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.474 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.497 HG23 ' N ' ' A' ' 100' ' ' SER . 9.7 tp -48.82 -40.02 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.946 0.403 . . . . 0.0 110.12 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.497 ' N ' HG23 ' A' ' 99' ' ' ILE . 10.3 t -59.8 -15.28 19.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.763 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -82.41 -34.94 28.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.356 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.7 t -68.84 -54.4 20.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.671 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.553 HD13 ' SG ' ' A' ' 21' ' ' CYS . 1.0 OUTLIER -60.19 -37.54 80.54 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.3 -179.261 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.504 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.6 OUTLIER -59.84 -41.29 91.07 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.324 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.0 m -54.2 -22.01 10.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.823 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.2 mm -69.13 -55.44 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.448 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 12.4 t -50.97 -50.19 58.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.552 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 46.7 m -53.91 -33.92 58.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.626 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.962 HD12 HD22 ' A' ' 77' ' ' ASN . 0.1 OUTLIER -72.33 -49.62 33.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.473 -179.879 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 39.1 mt -69.35 -28.26 66.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.572 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 81.1 m -69.73 -8.45 48.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.474 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -153.79 90.31 3.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.45 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -79.3 80.97 2.92 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.436 2.091 . . . . 0.0 112.089 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -95.97 111.17 55.28 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.447 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -79.12 46.31 2.16 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 122.248 1.965 . . . . 0.0 111.99 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.53 -39.33 13.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.649 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -141.44 62.38 15.37 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.692 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -79.96 -177.1 3.58 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.904 2.403 . . . . 0.0 112.031 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 78.9 mt -101.1 -38.14 8.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.595 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.3 t -116.49 84.17 14.47 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.538 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -47.43 -18.02 0.73 Allowed 'Trans proline' 0 C--N 1.309 -1.54 0 C-N-CA 122.485 2.123 . . . . 0.0 112.017 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -63.85 -41.75 97.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.476 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 43.2 mt -75.18 -32.64 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.445 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.17 -45.8 86.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.689 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -54.96 -35.48 64.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.547 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 130' ' ' ASP . 37.2 mt -69.78 -56.07 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.442 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.528 ' O ' ' NH1' ' A' ' 131' ' ' ARG . 68.3 t80 -62.6 -31.62 72.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.753 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -50.8 -50.77 55.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.37 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 13.6 p -127.61 -39.84 1.8 Allowed 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 121.081 -0.248 . . . . 0.0 111.218 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 126' ' ' ILE . 38.3 t0 -79.96 98.25 7.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.829 0.347 . . . . 0.0 110.847 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.528 ' NH1' ' O ' ' A' ' 127' ' ' TYR . 0.2 OUTLIER -95.37 -40.59 9.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.281 179.709 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.99 -48.99 52.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.828 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 136' ' ' ARG . 49.7 tttp -69.84 -52.86 21.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.479 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.567 ' HA ' HD11 ' A' ' 137' ' ' ILE . 38.9 t80 -48.38 -27.67 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.461 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -74.92 -29.83 61.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.414 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 133' ' ' LYS . 12.9 ttm-85 -72.7 -50.16 26.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.678 HD12 ' CD2' ' A' ' 74' ' ' TYR . 1.0 OUTLIER -62.94 -49.16 84.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 110.706 -179.711 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 138' ' ' SER . . . . . 0.416 ' O ' ' OG1' ' A' ' 142' ' ' THR . 68.3 m -45.96 -48.11 16.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.923 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 42.5 mtp85 -79.11 -40.55 30.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.202 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -51.01 -41.05 59.55 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.94 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -84.82 -5.69 59.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.903 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.54 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 29.5 m -82.5 -60.28 2.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.911 0.386 . . . . 0.0 110.504 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -62.11 -31.35 71.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.625 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -48.53 -52.11 24.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.187 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -133.02 -33.15 1.17 Allowed 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.425 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 142' ' ' THR . . . -71.72 58.2 0.31 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.905 0.383 . . . . 0.0 110.757 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 2.3 mtm . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.296 179.862 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 39.3 mtm . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -123.42 101.52 7.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.419 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 26.4 pt -97.97 -175.91 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.368 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -126.45 129.14 48.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.886 0.374 . . . . 0.0 110.741 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 89.7 t -107.94 108.76 26.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.405 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.0 tttm -84.91 135.74 33.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.724 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 16.4 m -104.54 152.19 22.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.404 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 tp -56.48 -31.85 64.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.48 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 2.8 m -78.82 1.47 23.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.539 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.93 0.36 85.73 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.53 101.27 4.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.86 0.362 . . . . 0.0 110.354 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 32.7 m -94.29 141.86 28.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.456 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 9.5 tt -151.08 147.04 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.625 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 18.9 p -87.8 130.84 34.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.842 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.455 HD11 ' HB3' ' B' ' 29' ' ' LYS . 8.8 tp -104.85 145.48 30.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.534 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -107.19 109.23 21.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.465 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.546 HG22 ' N ' ' B' ' 18' ' ' GLU . 12.7 p -155.41 161.26 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.637 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.546 ' N ' HG22 ' B' ' 17' ' ' VAL . 0.0 OUTLIER -91.59 162.21 32.14 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.37 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.99 -16.16 25.82 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.732 2.288 . . . . 0.0 112.437 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.7 t -100.76 7.02 44.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.803 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -80.22 140.21 36.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.46 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 13.0 p -81.6 141.16 33.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.659 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 29.3 mm -49.29 -33.54 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.526 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -48.9 -37.16 18.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.27 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -83.79 -38.44 21.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.641 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 46.0 t -52.94 -48.1 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.366 . . . . 0.0 110.376 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -55.27 -48.97 73.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.38 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.87 -33.86 73.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.305 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.455 ' HB3' HD11 ' B' ' 15' ' ' LEU . 3.4 tptp -57.75 -49.37 76.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.246 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 64.8 mt -66.75 -31.99 55.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.607 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' B' ' 35' ' ' GLY . 1.4 tm0? -66.56 -54.52 22.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -60.51 -28.85 68.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.91 0.386 . . . . 0.0 110.375 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -55.07 -66.09 0.47 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.915 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -105.14 -37.2 7.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.119 -179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . 123.73 31.71 0.93 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 22.4 mt -91.99 114.06 60.9 Favored Pre-proline 0 C--N 1.328 -0.338 0 N-CA-C 110.516 -0.179 . . . . 0.0 110.516 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.27 148.69 18.2 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 122.012 1.808 . . . . 0.0 111.716 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -70.71 -20.4 30.41 Favored 'Trans proline' 0 C--N 1.309 -1.525 0 C-N-CA 122.656 2.238 . . . . 0.0 112.51 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -87.09 -1.88 58.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.213 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -116.98 -1.9 11.86 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.042 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.586 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 0.0 OUTLIER -127.65 94.22 3.91 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.772 0.32 . . . . 0.0 110.696 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -97.56 126.4 42.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.299 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.607 HD12 ' N ' ' B' ' 43' ' ' LEU . 8.9 mp -85.91 153.56 22.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.695 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 10.2 mt -144.16 128.0 12.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.374 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -118.44 129.68 55.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.55 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.9 28.9 11.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.682 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.36 28.08 58.47 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -134.73 137.76 43.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.808 0.337 . . . . 0.0 110.572 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.62 137.42 49.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.377 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.709 ' N ' HD12 ' B' ' 50' ' ' LEU . 7.0 mp -80.72 177.04 9.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.526 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -127.05 136.11 51.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.314 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.7 p30 -60.18 -19.19 52.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.895 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.74 -18.88 39.22 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.764 -0.535 . . . . 0.0 111.764 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.433 ' CB ' ' OH ' ' B' ' 59' ' ' TYR . 0.3 OUTLIER -76.84 166.23 23.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.944 0.402 . . . . 0.0 110.679 -179.724 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 7.4 p -121.17 174.91 6.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.21 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 mp -68.94 -43.89 74.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.104 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 24.3 p -54.06 -28.92 41.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.608 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -58.55 -45.17 89.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.635 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.433 ' OH ' ' CB ' ' B' ' 54' ' ' ARG . 2.6 m-85 -95.05 19.02 11.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.421 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 72.88 -74.08 0.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.918 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 18.7 mm 51.26 93.28 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.344 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.442 ' O ' ' O ' ' B' ' 63' ' ' LYS . 79.4 mm-40 -97.58 54.79 1.19 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.923 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' B' ' 62' ' ' GLN . 23.3 ttmt 56.4 158.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 110.575 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 55.21 29.55 12.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.758 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 39.4 m -75.45 168.08 20.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.378 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.9 m -136.46 109.01 7.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.671 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 mp -102.22 156.43 17.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.26 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -98.3 123.64 42.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.611 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.579 HD23 ' N ' ' B' ' 70' ' ' VAL . 3.5 tt -108.27 113.78 27.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.282 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.579 ' N ' HD23 ' B' ' 69' ' ' LEU . 5.1 t -105.97 143.43 16.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.74 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.562 ' N ' HD12 ' B' ' 71' ' ' LEU . 10.5 mp -94.44 152.01 18.93 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.509 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 48.5 ttt85 -105.42 98.77 8.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.482 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.523 ' H ' HD12 ' B' ' 73' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.308 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.7 mt -67.78 -30.01 69.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.542 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.08 -39.96 63.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.568 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -65.41 -46.19 80.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.859 0.362 . . . . 0.0 110.09 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 73.4 mt -63.2 -45.25 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.559 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -52.94 -30.2 33.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.479 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -66.82 -33.92 76.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.496 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.519 ' OE2' ' N ' ' A' ' 99' ' ' ILE . 2.1 tt0 -69.56 -49.3 55.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.314 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.611 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -52.58 -23.37 6.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.126 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.1 t -63.25 -40.83 98.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.559 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -77.46 -37.12 52.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.555 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 tp -65.28 -61.04 2.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.526 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.92 -27.78 14.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.601 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -38.64 78.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.449 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -172.71 86.02 0.42 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.518 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -46.21 133.52 15.31 Favored 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.464 2.11 . . . . 0.0 111.94 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -51.32 127.69 23.04 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 122.024 1.816 . . . . 0.0 112.03 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.474 ' HB2' ' NZ ' ' B' ' 6' ' ' LYS . . . -75.34 -32.98 61.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.948 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -80.45 -56.08 4.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.098 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.0 m -119.02 77.13 1.16 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.807 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.5 m -58.03 141.47 49.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.377 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.96 176.05 12.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.602 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.83 171.02 36.47 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -72.97 145.2 39.56 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.763 2.309 . . . . 0.0 112.042 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.408 HG12 ' H ' ' A' ' 28' ' ' ASP . 5.0 t -79.42 150.58 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.566 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.59 -12.27 63.81 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.408 ' H ' HG12 ' A' ' 26' ' ' VAL . 26.8 t0 -69.22 -54.71 13.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.876 0.369 . . . . 0.0 110.587 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -170.48 144.9 2.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 86.7 mmm -63.54 -17.09 62.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.615 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -74.19 8.53 2.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.56 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -148.04 120.81 8.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.571 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -111.98 165.89 11.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.057 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -146.23 141.66 27.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.609 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.508 ' O ' ' CD1' ' A' ' 51' ' ' PHE . . . -123.75 173.22 8.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.165 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.7 m -144.98 145.48 31.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.049 0.452 . . . . 0.0 110.869 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.9 pt -143.25 153.95 16.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.096 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 6.1 ttt -133.96 139.28 46.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.802 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.61 ' C ' ' H ' ' A' ' 41' ' ' ASN . . . -40.33 104.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 41' ' ' ASN . 50.2 Cg_exo -50.51 1.45 0.03 OUTLIER 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.389 2.059 . . . . 0.0 112.322 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.61 ' H ' ' C ' ' A' ' 39' ' ' GLY . 12.8 t-20 82.78 29.83 0.1 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.907 0.384 . . . . 0.0 110.314 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -137.21 -19.15 1.28 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.392 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.0 m -103.03 146.82 33.13 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.424 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -40.68 -34.78 1.35 Allowed 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 122.565 2.177 . . . . 0.0 112.318 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -71.96 48.83 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -74.06 118.22 16.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.583 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.81 -34.69 4.26 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.5 128.61 45.84 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.8 m -92.15 145.64 7.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.715 0.293 . . . . 0.0 110.603 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -132.36 154.92 49.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.4 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.508 ' CD1' ' O ' ' A' ' 35' ' ' ALA . 0.1 OUTLIER -140.12 146.2 38.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.432 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.99 168.97 18.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.412 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.512 HG22 ' N ' ' A' ' 54' ' ' ILE . 32.7 m -127.76 160.9 30.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.678 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.512 ' N ' HG22 ' A' ' 53' ' ' THR . 4.5 mp -137.79 133.6 45.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.415 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -112.08 152.82 27.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.646 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 56' ' ' PHE . 19.2 m-85 -120.63 138.03 27.02 Favored Pre-proline 0 CA--C 1.53 0.206 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.332 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.49 ' C ' ' H ' ' A' ' 59' ' ' ASP . 82.3 Cg_endo -77.78 131.89 11.55 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 C-N-CA 122.466 2.111 . . . . 0.0 111.99 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.7 p -55.1 -7.34 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.258 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.49 ' H ' ' C ' ' A' ' 57' ' ' PRO . 8.5 t70 -93.7 22.84 5.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.578 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.479 ' CG ' ' C ' ' A' ' 59' ' ' ASP . 1.2 m-85 72.53 151.94 0.14 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.521 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.486 ' C ' ' N ' ' A' ' 63' ' ' LYS . 4.1 Cg_endo -47.96 -20.46 2.07 Favored 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 122.442 2.095 . . . . 0.0 111.877 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -47.45 -15.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 109.977 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.486 ' N ' ' C ' ' A' ' 61' ' ' PRO . 10.5 mptt -109.91 134.33 20.7 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.886 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -52.33 117.6 3.78 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.007 1.805 . . . . 0.0 111.909 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -77.78 172.02 16.39 Favored 'Trans proline' 0 N--CA 1.491 1.324 0 C-N-CA 122.321 2.014 . . . . 0.0 112.13 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -110.21 128.02 55.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.597 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.5 m -104.51 115.98 47.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.343 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -105.15 161.67 14.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.688 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.98 111.47 13.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.38 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 70' ' ' THR . 6.4 p -64.47 -48.06 76.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.572 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.4 m -85.14 136.41 33.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.0 mtp180 -80.09 114.18 18.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.588 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.454 ' CG2' HG21 ' A' ' 78' ' ' ILE . 15.8 tt -112.12 126.94 69.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.262 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -76.57 96.48 4.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.67 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.459 ' O ' ' O ' ' A' ' 78' ' ' ILE . 1.2 t-80 -153.57 125.4 3.76 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.054 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -43.86 -46.88 10.42 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.482 2.121 . . . . 0.0 113.038 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.435 ' ND2' ' CD2' ' A' ' 109' ' ' LEU . 8.0 p30 -72.89 -7.87 52.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.63 -178.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.459 ' O ' ' O ' ' A' ' 75' ' ' HIS . 30.6 mt -129.01 126.3 64.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 120.927 0.394 . . . . 0.0 110.918 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -90.68 166.06 13.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.587 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.4 p -73.84 -22.67 59.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.457 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -72.94 -10.12 59.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.521 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.94 23.38 13.47 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.9 m -86.12 136.77 33.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.788 0.328 . . . . 0.0 110.511 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 15.1 mt -137.44 128.99 40.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.581 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 6.1 p -104.24 113.11 26.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.646 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 41.7 mt -136.16 150.58 49.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.482 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.41 ' C ' ' N ' ' A' ' 89' ' ' LEU . 44.0 t0 -69.04 -52.3 30.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.989 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.739 HD12 ' N ' ' A' ' 89' ' ' LEU . 2.6 pp -53.19 -11.96 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.748 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.739 ' N ' HD12 ' A' ' 88' ' ' ILE . 0.8 OUTLIER -79.03 -36.94 40.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.464 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 71.4 mtm180 -73.16 -164.9 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.792 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.479 ' C ' ' H ' ' A' ' 93' ' ' TRP . 49.5 m -41.75 -27.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.798 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -58.25 -4.02 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.523 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.595 ' CD2' HD21 ' A' ' 97' ' ' LEU . 40.4 t-105 -73.14 102.93 3.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.503 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.485 ' N ' HD23 ' A' ' 97' ' ' LEU . 2.7 m -86.53 118.84 70.88 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.565 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -49.52 -7.71 0.09 OUTLIER 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 122.35 2.034 . . . . 0.0 112.309 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.468 ' H ' ' C ' ' A' ' 94' ' ' SER . . . -114.72 28.95 8.36 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.328 -179.306 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.718 ' C ' HD12 ' A' ' 97' ' ' LEU . 3.6 pp -104.03 152.03 22.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.718 0.294 . . . . 0.0 110.314 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.2 t -101.94 157.3 16.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.97 0.414 . . . . 0.0 110.895 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.519 ' N ' ' OE2' ' A' ' 9' ' ' GLU . 1.6 tp -70.52 -22.36 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.719 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.8 m -52.97 -49.95 65.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.255 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.529 ' HZ2' HG21 ' A' ' 88' ' ' ILE . 2.1 pttp -63.72 -36.61 84.41 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.023 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 37.5 t -52.94 -33.84 19.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.655 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.1 mt -67.07 -45.47 77.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.584 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.539 HD22 ' N ' ' A' ' 104' ' ' LEU . 3.7 mm? -60.02 -38.0 81.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.424 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.22 -48.31 62.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.351 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 72.4 mt -71.03 -53.99 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.525 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 20.0 t -50.97 -38.76 52.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.582 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.3 m -76.54 -30.13 56.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.57 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.435 ' CD2' ' ND2' ' A' ' 77' ' ' ASN . 14.1 tp -61.81 -36.07 80.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.526 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 40.7 mt -70.63 -32.07 69.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.354 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 10.7 t -75.03 -10.42 59.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.588 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 113' ' ' PRO . 40.2 t0 -157.6 72.22 4.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.44 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.426 ' O ' ' O ' ' A' ' 112' ' ' ASP . 78.1 Cg_exo -47.18 -176.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.852 2.368 . . . . 0.0 112.276 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -145.04 76.85 13.41 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.539 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -77.72 67.96 7.78 Favored 'Trans proline' 0 C--N 1.307 -1.606 0 C-N-CA 122.626 2.217 . . . . 0.0 111.975 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.423 ' O ' ' OD1' ' A' ' 117' ' ' ASP . 5.1 m-20 -154.66 -33.13 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.375 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 116' ' ' ASP . 2.5 m-20 -139.02 57.63 11.27 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.419 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -72.19 -175.58 1.8 Allowed 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.733 2.289 . . . . 0.0 112.049 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.3 tp -122.82 3.69 9.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.224 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.5 t -146.4 83.17 8.51 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.438 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -47.1 -24.77 3.66 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.653 2.235 . . . . 0.0 112.355 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -69.95 -52.06 27.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.548 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 83.1 mt -68.06 -41.89 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.499 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.28 -39.98 76.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.571 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 -54.89 -37.1 65.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.491 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.431 ' O ' ' O ' ' A' ' 130' ' ' ASP . 15.6 mm -69.34 -56.05 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.786 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -60.04 -31.51 70.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.205 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 18.0 tptt -50.62 -68.08 0.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.194 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 8.0 p -107.1 -42.18 4.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.636 0.255 . . . . 0.0 111.254 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 126' ' ' ILE . 3.0 m-20 -82.98 83.47 7.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.738 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 29.3 mmm-85 -91.36 -46.43 8.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.514 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -57.12 -41.48 79.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.569 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -75.26 -30.25 60.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.615 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -47.99 -46.19 32.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.547 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -60.74 -37.18 80.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.581 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -53.88 -48.67 69.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.595 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.632 HD12 ' N ' ' A' ' 137' ' ' ILE . 1.5 mp -69.12 -30.8 47.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.307 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.7 m -72.19 -62.96 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.995 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -25.76 31.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.806 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -72.35 -50.16 28.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.288 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' TRP . . . . . 0.438 ' O ' ' N ' ' A' ' 145' ' ' TYR . 11.4 m95 -68.62 -16.18 63.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.653 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.441 ' HA ' ' HB3' ' A' ' 146' ' ' ALA . 25.7 m -65.57 -39.23 91.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.9 0.381 . . . . 0.0 110.844 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -76.5 -31.89 57.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.18 -0.464 . . . . 0.0 112.088 -179.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.406 ' HG2' ' H ' ' A' ' 144' ' ' LYS . 26.8 pttt -101.27 -18.76 15.96 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.299 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 141' ' ' TRP . 41.6 m-85 -128.6 19.43 6.21 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.87 -179.497 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 142' ' ' THR . . . -158.85 22.6 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.016 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 17.1 mmt . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.368 179.625 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.4 ttm . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -160.18 138.11 9.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.37 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.778 HD13 ' H ' ' B' ' 3' ' ' ILE . 0.1 OUTLIER -147.57 166.72 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.658 179.802 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -93.9 146.79 23.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 98.8 t -123.3 102.86 12.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.334 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.474 ' NZ ' ' HB2' ' A' ' 19' ' ' ALA . 16.7 tptm -83.23 142.33 31.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.504 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.4 m -121.34 160.23 24.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.416 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 tp -65.55 -23.22 66.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.55 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 34.3 p -79.72 1.94 24.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.578 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.62 3.38 86.32 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 25.7 tptt -75.66 135.39 40.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.937 0.399 . . . . 0.0 110.546 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 5.2 m -134.05 107.83 7.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.859 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 13.0 tt -131.53 144.41 37.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.748 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.413 ' O ' ' NZ ' ' B' ' 33' ' ' LYS . 43.1 p -75.69 146.27 40.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.439 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.728 HD13 ' N ' ' B' ' 16' ' ' GLU . 0.6 OUTLIER -122.15 124.72 44.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.057 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.728 ' N ' HD13 ' B' ' 15' ' ' LEU . 48.6 mt-10 -84.51 125.63 32.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.845 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.704 HG22 ' N ' ' B' ' 18' ' ' GLU . 13.6 p -149.5 174.43 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.808 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.704 ' N ' HG22 ' B' ' 17' ' ' VAL . 36.8 mt-10 -131.93 142.77 46.36 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.252 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -45.15 -34.24 9.26 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 122.483 2.122 . . . . 0.0 112.726 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 15.5 p -84.76 7.07 21.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.047 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -82.83 137.88 34.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.529 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 4.0 m -94.14 140.77 29.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.45 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.1 mm -42.54 -50.17 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.637 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -48.66 -37.5 18.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.808 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.441 ' O ' ' HB3' ' B' ' 28' ' ' ALA . 13.2 m-20 -79.54 -42.39 25.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.7 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 38.4 t -53.07 -43.81 49.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.562 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.748 ' N ' ' HZ3' ' B' ' 27' ' ' LYS . 0.1 OUTLIER -61.22 -31.53 71.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.888 0.375 . . . . 0.0 110.136 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' B' ' 25' ' ' ASN . . . -64.48 -27.92 69.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.03 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -54.55 13.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.447 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 84.1 mt -56.86 -41.8 76.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.593 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.539 ' O ' ' N ' ' B' ' 35' ' ' GLY . 21.9 mt-30 -50.88 -50.79 56.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.628 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -75.55 -28.95 59.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.06 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.413 ' NZ ' ' O ' ' B' ' 14' ' ' THR . 21.1 tttt -72.64 -16.72 61.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.209 -179.136 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -129.09 -37.18 1.7 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.749 0.309 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . 100.97 15.02 29.71 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 34.1 mt -95.49 112.35 58.54 Favored Pre-proline 0 C--N 1.329 -0.293 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -51.47 154.0 9.43 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.051 1.834 . . . . 0.0 112.169 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -73.43 -7.84 20.92 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.907 2.405 . . . . 0.0 112.412 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' B' ' 39' ' ' ASP . 56.8 t0 -60.35 -16.4 34.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.571 -179.138 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -130.21 -29.03 2.07 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.647 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -70.92 124.72 24.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.068 0.461 . . . . 0.0 111.433 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.435 HH11 ' HB3' ' B' ' 42' ' ' ARG . 5.8 ptm85 -145.15 123.76 12.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.458 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 tp -86.01 149.05 25.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.167 0.508 . . . . 0.0 111.396 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 16.4 mt -141.57 136.74 31.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.253 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -112.64 120.86 42.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.388 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.43 29.43 15.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.417 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.1 -19.84 36.5 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -87.96 128.68 35.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.796 0.331 . . . . 0.0 110.623 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -60.51 137.89 58.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.55 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.3 mt -82.09 125.67 31.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.544 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -53.13 117.2 2.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.307 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -58.4 -39.46 79.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.904 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.55 59.35 2.57 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.452 -0.659 . . . . 0.0 111.452 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 8.2 mmt85 -148.15 164.09 34.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.788 0.328 . . . . 0.0 110.32 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 22.3 p -116.12 152.02 34.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.44 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.531 HD22 ' N ' ' B' ' 56' ' ' LEU . 3.9 mm? -57.03 -32.41 66.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.403 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 7.4 t -53.88 -30.61 46.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.367 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -84.9 -43.07 14.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.427 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -75.88 -12.55 60.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.19 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' B' ' 56' ' ' LEU . 7.8 t-20 70.35 -81.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.72 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.437 ' C ' ' O ' ' B' ' 60' ' ' ASN . 68.4 mt 35.05 87.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.694 0.283 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -68.94 176.46 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.697 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -58.01 158.4 6.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.546 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 65.04 47.47 2.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.666 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.0 m -104.98 149.29 25.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.541 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.9 m -107.4 108.97 20.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.611 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 10.8 mt -105.5 150.28 25.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.36 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -95.97 141.97 28.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.921 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.555 HD23 ' N ' ' B' ' 70' ' ' VAL . 2.4 tt -129.46 111.71 13.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.223 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.555 ' N ' HD23 ' B' ' 69' ' ' LEU . 0.3 OUTLIER -119.43 138.35 50.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.397 179.832 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.515 ' N ' HD12 ' B' ' 71' ' ' LEU . 7.8 mp -97.07 121.92 39.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.582 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -87.04 85.9 7.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.259 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.547 ' H ' HD12 ' B' ' 73' ' ' LEU . 3.8 mp . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.72 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 mt -51.84 -47.94 64.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.7 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.677 ' CD ' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -59.46 -36.23 75.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.744 -179.778 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 74.4 mtt-85 -75.4 -50.62 15.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.841 0.353 . . . . 0.0 110.433 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 78.6 mt -52.88 -38.98 29.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.572 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -60.92 -25.43 66.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.75 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -64.0 -49.88 70.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.589 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -57.53 -42.09 82.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.527 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.589 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -58.19 -31.55 67.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.348 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.2 m -59.88 -26.98 66.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.455 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -73.49 -48.73 31.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.536 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.4 mt -70.59 -25.15 62.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.471 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.41 -16.88 60.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.512 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -93.92 -51.35 4.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.424 ' O ' ' OD2' ' A' ' 16' ' ' ASP . 4.3 p-10 -167.63 90.33 0.7 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.818 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -54.1 158.95 8.33 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 122.557 2.172 . . . . 0.0 111.876 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' A' ' 21' ' ' CYS . 54.6 Cg_endo -71.11 137.87 32.43 Favored 'Trans proline' 0 C--N 1.309 -1.528 0 C-N-CA 122.585 2.19 . . . . 0.0 112.002 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.459 ' O ' HD12 ' B' ' 8' ' ' LEU . . . -75.04 -44.0 50.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.683 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -57.56 -54.51 45.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.674 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.433 ' O ' ' O ' ' A' ' 18' ' ' PRO . 10.8 p -113.64 -166.13 1.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.615 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.8 m -157.32 155.71 31.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.491 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.81 161.87 6.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.803 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.49 135.07 1.87 Allowed Glycine 0 CA--C 1.531 1.077 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.68 147.81 31.94 Favored 'Trans proline' 0 N--CA 1.492 1.421 0 C-N-CA 122.33 2.02 . . . . 0.0 112.153 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.2 m -92.01 133.73 32.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.37 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.455 ' C ' ' H ' ' A' ' 29' ' ' ASP . . . -57.04 -178.38 0.49 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.432 ' N ' ' OD1' ' A' ' 28' ' ' ASP . 0.6 OUTLIER 69.35 -10.44 0.55 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.694 0.283 . . . . 0.0 110.798 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.455 ' H ' ' C ' ' A' ' 27' ' ' GLY . 8.6 t70 -172.7 116.28 0.31 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.843 0.354 . . . . 0.0 110.853 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.95 -7.37 58.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.402 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.454 ' C ' ' HD1' ' A' ' 32' ' ' HIS . 6.3 m-85 -89.39 24.48 2.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.49 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.454 ' HD1' ' C ' ' A' ' 31' ' ' PHE . 32.0 m80 -144.25 120.88 11.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.408 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -120.86 163.15 18.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.508 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 -132.76 174.2 10.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.475 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.703 ' HB3' ' HB2' ' A' ' 52' ' ' LEU . . . -162.78 124.04 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.531 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.9 m -113.33 124.91 53.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.478 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 38' ' ' MET . 67.3 mt -130.52 157.19 42.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.499 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.499 ' SD ' ' O ' ' A' ' 38' ' ' MET . 3.5 ppp? -133.52 130.3 38.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.434 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.593 ' O ' ' O ' ' A' ' 40' ' ' PRO . . . -48.26 128.34 17.97 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.593 ' O ' ' O ' ' A' ' 39' ' ' GLY . 89.9 Cg_exo -40.59 -116.73 0.0 OUTLIER 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 122.852 2.368 . . . . 0.0 112.896 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -128.61 -60.3 1.11 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.65 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -81.5 28.74 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.657 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.53 155.11 38.24 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.352 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.44 ' C ' ' H ' ' A' ' 46' ' ' GLN . 55.8 Cg_endo -71.22 -53.96 0.17 Allowed 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 122.521 2.147 . . . . 0.0 111.977 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -77.32 22.4 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.418 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.44 ' H ' ' C ' ' A' ' 44' ' ' PRO . 2.1 tm0? -64.92 150.89 47.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.505 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.497 ' O ' ' SD ' ' A' ' 147' ' ' MET . . . 83.36 21.26 58.84 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -136.99 161.64 25.16 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -108.02 152.67 9.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.767 0.318 . . . . 0.0 110.502 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -118.48 168.89 10.24 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.64 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -140.07 149.39 43.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.394 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.703 ' HB2' ' HB3' ' A' ' 35' ' ' ALA . 2.9 mt -147.71 163.0 38.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.406 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.14 106.73 3.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.333 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.1 mp -101.47 106.57 19.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -80.04 154.88 27.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.637 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.603 ' CE2' ' CE2' ' A' ' 60' ' ' TYR . 19.6 m-85 -122.71 105.74 35.26 Favored Pre-proline 0 CA--C 1.531 0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.598 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -75.29 157.02 41.75 Favored 'Trans proline' 0 C--N 1.313 -1.316 0 C-N-CA 122.074 1.849 . . . . 0.0 111.855 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -48.97 -28.58 3.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.94 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -101.47 23.29 11.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.084 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.603 ' CE2' ' CE2' ' A' ' 56' ' ' PHE . 18.4 t80 -44.3 -53.15 14.74 Favored Pre-proline 0 C--N 1.328 -0.362 0 C-N-CA 120.979 -0.289 . . . . 0.0 111.246 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 60' ' ' TYR . 11.2 Cg_endo -54.13 -13.67 5.19 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 122.28 1.987 . . . . 0.0 112.708 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -119.11 -49.5 2.4 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 121.031 -0.268 . . . . 0.0 111.093 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.491 ' NZ ' ' CB ' ' A' ' 63' ' ' LYS . 7.9 mtmp? -97.77 148.08 33.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.83 159.44 52.8 Favored 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 122.43 2.087 . . . . 0.0 111.869 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.91 171.64 17.77 Favored 'Trans proline' 0 C--N 1.308 -1.595 0 C-N-CA 122.701 2.267 . . . . 0.0 112.058 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -108.93 86.14 2.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.147 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.0 p -81.15 148.1 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.76 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -153.7 120.75 5.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.535 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.528 ' CZ ' HD11 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -74.51 108.85 7.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.358 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.6 p -62.13 -31.52 72.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.48 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.3 p -89.7 124.85 34.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.555 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.528 ' NH2' ' O ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -72.78 88.93 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.259 179.842 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 16.2 tt -97.95 144.65 10.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.455 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.482 ' CD2' HG21 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -98.92 101.98 13.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.531 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 78' ' ' ILE . 1.1 t60 -146.69 132.42 9.34 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.132 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -43.11 -52.11 5.08 Favored 'Trans proline' 0 C--N 1.312 -1.372 0 C-N-CA 122.449 2.099 . . . . 0.0 112.618 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -76.09 -0.61 22.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.361 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.552 HG22 ' N ' ' A' ' 79' ' ' ASN . 5.3 mm -126.04 166.11 22.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.805 0.336 . . . . 0.0 110.369 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.552 ' N ' HG22 ' A' ' 78' ' ' ILE . 54.0 p30 -144.55 -176.27 4.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.563 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.6 m -85.08 -18.26 34.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.676 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -73.16 -15.71 61.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.591 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.468 ' O ' HD12 ' A' ' 84' ' ' ILE . . . 88.05 11.1 68.0 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.401 ' HB3' HD21 ' A' ' 79' ' ' ASN . 5.6 t -86.98 109.47 19.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.73 0.3 . . . . 0.0 110.596 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.468 HD12 ' O ' ' A' ' 82' ' ' GLY . 5.2 mp -98.07 133.76 38.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.538 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.539 ' HB2' HD23 ' A' ' 119' ' ' LEU . 11.7 t -107.87 117.02 33.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.606 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 mt -145.29 162.74 36.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.219 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -64.0 -52.08 61.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.658 HD12 ' N ' ' A' ' 89' ' ' LEU . 2.7 pp -62.97 -11.7 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.76 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.658 ' N ' HD12 ' A' ' 88' ' ' ILE . 0.2 OUTLIER -93.11 24.6 3.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.991 0.424 . . . . 0.0 109.881 179.5 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' A' ' 92' ' ' GLN . 24.3 mtp85 -135.7 -159.97 1.01 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.393 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.545 ' C ' ' H ' ' A' ' 93' ' ' TRP . 8.3 t -38.07 -24.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.825 0.345 . . . . 0.0 110.942 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.535 ' N ' ' O ' ' A' ' 90' ' ' ARG . 33.9 mt-30 -71.93 29.03 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.48 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.545 ' H ' ' C ' ' A' ' 91' ' ' SER . 72.8 t-105 -92.81 110.26 21.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.58 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.55 ' O ' ' N ' ' A' ' 96' ' ' ALA . 1.2 m -94.88 121.51 62.53 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.458 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -45.7 -9.39 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 122.151 1.901 . . . . 0.0 112.3 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -143.4 65.76 1.32 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.995 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.485 ' H ' ' HG ' ' A' ' 97' ' ' LEU . 2.6 pp -104.08 152.06 22.53 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.475 179.592 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.55 ' O ' ' N ' ' A' ' 100' ' ' SER . 12.8 p -82.61 93.85 7.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.072 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 18.5 tt -38.53 -23.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.55 ' N ' ' O ' ' A' ' 98' ' ' THR . 40.7 t -53.34 -36.27 61.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.651 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.423 ' NZ ' ' CG2' ' A' ' 88' ' ' ILE . 3.9 ptmm? -72.07 -35.84 69.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.721 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 88.4 t -57.91 -50.23 78.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.479 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 103' ' ' LEU . 6.8 mp -66.81 -46.1 76.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.387 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.56 -40.32 91.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.414 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.6 m -50.19 -39.96 45.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.536 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 71.5 mt -60.19 -48.21 89.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.427 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 95.3 m -52.88 -37.24 60.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.541 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.1 t -73.56 -28.06 61.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.559 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 112' ' ' ASP . 6.3 tt -76.74 -43.41 37.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.489 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 96.1 mt -54.31 -45.86 72.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.496 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 10.1 t -82.9 5.06 23.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.582 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 109' ' ' LEU . 33.5 t0 -158.12 104.3 1.72 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.479 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -78.88 -174.17 2.17 Favored 'Trans proline' 0 C--N 1.313 -1.321 0 C-N-CA 122.289 1.993 . . . . 0.0 112.139 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -156.19 106.96 2.07 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.501 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.453 ' O ' ' CB ' ' A' ' 116' ' ' ASP . 72.4 Cg_endo -79.53 -158.0 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.346 0 C-N-CA 122.304 2.003 . . . . 0.0 111.984 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 115' ' ' PRO . 7.9 t70 81.11 73.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.992 0.425 . . . . 0.0 110.462 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 41.37 68.12 2.69 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_exo -62.92 -149.44 0.02 OUTLIER 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.743 2.296 . . . . 0.0 111.825 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.539 HD23 ' HB2' ' A' ' 85' ' ' CYS . 0.2 OUTLIER -83.97 -27.37 28.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.069 179.699 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.0 m -130.99 77.76 74.65 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.475 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -46.3 -17.75 0.37 Allowed 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.737 2.291 . . . . 0.0 112.347 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -61.85 -49.16 77.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.624 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.401 HD13 HG21 ' A' ' 123' ' ' ILE . 18.6 mt -73.51 -29.07 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.543 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.03 -45.93 82.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.712 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -54.96 -42.05 71.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.646 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 24.6 mt -70.81 -47.57 62.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.478 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -64.8 -31.18 72.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -50.51 -68.07 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.024 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.8 p -112.47 -42.16 3.72 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.647 0.261 . . . . 0.0 111.171 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -79.59 61.2 3.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.717 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -73.59 -20.67 60.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.578 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.5 -34.0 77.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.543 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 136' ' ' ARG . 20.8 ttmt -76.25 -50.78 13.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.49 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -47.66 -27.37 1.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.699 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -70.04 -46.29 65.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.791 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.492 ' HG3' ' N ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -71.49 -33.56 69.37 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.135 -179.242 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.492 ' N ' ' HG3' ' A' ' 136' ' ' ARG . 11.0 mt -67.2 -30.83 50.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.868 0.366 . . . . 0.0 110.653 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 7.4 t -68.82 -55.02 12.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.315 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 5.4 ptt-85 -68.09 -24.87 65.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.2 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -68.19 -50.08 56.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.977 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -71.74 1.15 7.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.988 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.649 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 33.8 m -76.49 -60.51 2.31 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.161 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.416 ' O ' ' O ' ' A' ' 147' ' ' MET . 17.6 tt0 -65.8 -31.52 72.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.061 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 22.9 tttp -52.09 -48.04 64.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.339 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -133.28 -33.28 1.13 Allowed 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 142' ' ' THR . . . -67.55 -24.68 65.56 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.907 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' MET . . . . . 0.497 ' SD ' ' O ' ' A' ' 47' ' ' GLY . 69.8 mtm . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.41 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 46.3 ttp . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -98.25 142.09 30.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.446 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.7 pt -140.15 145.08 26.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.427 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.456 ' CZ ' HG23 ' B' ' 14' ' ' THR . 30.9 m-85 -93.32 121.82 35.09 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.526 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.451 ' CG1' HD13 ' B' ' 69' ' ' LEU . 21.8 t -98.94 106.1 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.521 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -87.25 128.3 35.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.484 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 43.5 p -92.89 -175.88 4.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.81 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.459 HD12 ' O ' ' A' ' 19' ' ' ALA . 3.6 tp -75.97 5.09 7.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.575 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 18.1 p -123.89 9.8 8.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.626 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' B' ' 12' ' ' THR . . . 87.36 -26.35 7.16 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.76 94.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.788 0.327 . . . . 0.0 110.701 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.477 HG23 ' O ' ' B' ' 12' ' ' THR . 7.1 t -103.45 128.68 50.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.558 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 11.7 pt -138.54 143.97 31.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.458 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.456 HG23 ' CZ ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -74.97 143.22 43.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.424 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.421 HD12 HG21 ' B' ' 5' ' ' VAL . 0.5 OUTLIER -131.66 138.94 48.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.318 -179.877 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -95.8 120.19 35.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.558 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 6.9 m -148.16 144.63 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.535 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' B' ' 20' ' ' SER . 54.4 mm-40 -77.82 121.92 84.86 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.328 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -45.25 -12.72 0.06 OUTLIER 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 122.205 1.936 . . . . 0.0 112.318 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.506 ' N ' ' O ' ' B' ' 18' ' ' GLU . 15.9 p -103.09 -17.33 15.45 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.109 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' B' ' 18' ' ' GLU . 0.8 OUTLIER -65.83 129.93 41.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 0.0 110.169 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.4 p -76.12 145.27 40.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.525 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.537 HD13 ' HB3' ' B' ' 50' ' ' LEU . 9.7 mt -46.74 -33.94 2.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.076 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.408 ' O ' ' OE2' ' B' ' 24' ' ' GLU . 1.8 tm-20 -48.63 -34.97 12.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 110.572 -179.634 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.412 HD22 ' C ' ' B' ' 25' ' ' ASN . 0.3 OUTLIER -85.0 -29.91 24.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.541 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 89.7 t -59.47 -47.35 91.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.616 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.447 ' HZ2' ' HB3' ' B' ' 27' ' ' LYS . 0.3 OUTLIER -51.11 -33.27 25.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.422 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.77 -33.02 58.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.411 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -74.3 -52.94 10.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.53 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 16.3 tt -59.47 -31.83 47.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.132 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' B' ' 35' ' ' GLY . 4.3 tm0? -58.04 -54.14 50.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.53 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.411 ' OD2' ' OE1' ' B' ' 31' ' ' GLN . 9.2 m-20 -67.76 -28.95 68.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.76 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -66.06 0.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.974 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.455 ' HB2' HD11 ' B' ' 36' ' ' ILE . 39.9 mt-10 -81.26 -37.19 28.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.881 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . 113.6 -21.46 16.63 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.655 HD13 ' NE2' ' B' ' 41' ' ' GLN . 0.6 OUTLIER -61.91 143.7 94.29 Favored Pre-proline 0 C--N 1.33 -0.268 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.087 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -70.75 161.71 45.13 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.294 1.996 . . . . 0.0 112.055 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -62.69 -42.03 27.98 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.485 2.123 . . . . 0.0 112.277 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -54.89 -32.77 61.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.259 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -90.69 -1.89 57.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.064 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.655 ' NE2' HD13 ' B' ' 36' ' ' ILE . 73.6 mm-40 -94.39 126.0 39.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.941 0.4 . . . . 0.0 111.01 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.415 HH21 HE21 ' B' ' 49' ' ' GLN . 50.6 ttt85 -144.62 99.67 3.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.758 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.522 HD12 ' H ' ' B' ' 43' ' ' LEU . 1.3 mp -85.94 131.74 34.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.377 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.482 HG22 ' N ' ' B' ' 45' ' ' PHE . 48.3 mm -124.26 157.87 31.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.063 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.482 ' N ' HG22 ' B' ' 44' ' ' ILE . 28.0 t80 -160.05 130.5 5.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.846 0.355 . . . . 0.0 110.76 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 45.77 29.13 0.65 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.754 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.46 28.13 70.15 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' B' ' 45' ' ' PHE . 29.8 tttp -122.29 116.97 25.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.77 0.319 . . . . 0.0 110.42 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.415 HE21 HH21 ' B' ' 42' ' ' ARG . 85.5 mt-30 -59.34 119.74 8.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.538 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.537 ' HB3' HD13 ' B' ' 23' ' ' ILE . 6.7 mp -66.12 85.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.506 ' O ' HD12 ' B' ' 23' ' ' ILE . 28.4 mt-10 -48.06 127.55 12.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.644 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -55.01 -30.99 60.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.086 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.64 41.96 2.6 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.366 -0.693 . . . . 0.0 111.366 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -146.87 163.84 34.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.845 0.355 . . . . 0.0 110.405 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.508 ' O ' ' CE2' ' B' ' 59' ' ' TYR . 3.2 p -99.8 177.07 5.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.135 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.588 ' N ' HD12 ' B' ' 56' ' ' LEU . 8.2 mp -80.05 -49.26 12.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.828 0.347 . . . . 0.0 110.532 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 29.4 t -53.92 -28.37 36.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.743 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -50.57 -44.98 56.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.268 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.526 ' OH ' HD11 ' B' ' 23' ' ' ILE . 0.7 OUTLIER -86.68 -41.54 14.11 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.847 -179.625 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ASN . . . . . 0.474 ' CG ' ' N ' ' B' ' 61' ' ' ILE . 5.4 t-20 172.23 -95.75 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.365 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.54 HD13 ' O ' ' B' ' 56' ' ' LEU . 5.1 mp 39.29 87.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.628 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.418 ' O ' ' O ' ' B' ' 63' ' ' LYS . 6.2 pt20 -102.37 62.51 0.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.574 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' B' ' 62' ' ' GLN . 16.7 ttpt 60.28 137.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.713 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 50.78 48.81 22.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.525 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.0 t -103.37 158.42 16.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.551 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.2 m -97.82 139.92 32.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.522 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 4.8 mp -131.93 146.48 52.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.512 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -93.18 144.44 25.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.7 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.451 HD13 ' CG1' ' B' ' 5' ' ' VAL . 2.7 tp -125.69 110.06 13.32 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.389 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 5.0 t -103.92 119.35 52.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.36 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.6 mp -84.6 125.72 32.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.789 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.45 HH11 ' CB ' ' B' ' 72' ' ' ARG . 0.0 OUTLIER -81.31 128.58 33.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.174 179.576 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 12.4 mt . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.732 -179.778 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 39.4 mt -61.84 -19.91 63.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.614 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.469 ' HD2' ' H ' ' A' ' 4' ' ' LYS . 1.5 mptp? -70.6 -49.53 46.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.61 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.413 ' H ' ' HD2' ' A' ' 5' ' ' ARG . 0.9 OUTLIER -74.98 -44.59 47.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.64 -179.841 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 84.0 mt -53.18 -42.72 47.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.575 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.422 ' O ' ' OD1' ' A' ' 7' ' ' ASN . 57.1 t-20 -67.92 -19.89 65.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.577 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -60.98 -47.03 88.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.556 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -65.33 -43.06 92.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.555 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 tp -49.96 -28.09 6.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.381 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.7 t -60.11 -49.13 78.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.447 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -71.01 -22.06 62.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.496 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 tp -77.13 -29.11 54.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.642 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.86 -18.47 32.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.729 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.26 -54.27 2.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.589 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -135.18 82.87 40.51 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.812 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -80.34 164.38 21.67 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.487 2.124 . . . . 0.0 111.867 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -51.41 127.98 24.15 Favored 'Trans proline' 0 C--N 1.31 -1.474 0 C-N-CA 122.372 2.048 . . . . 0.0 111.99 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.06 -43.92 50.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.608 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -77.21 -56.1 4.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.623 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.0 m -93.99 -155.91 0.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.711 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.0 m -170.45 167.26 8.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.487 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -157.33 175.99 13.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.597 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.25 119.83 0.51 Allowed Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.671 -0.971 . . . . 0.0 110.671 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -44.77 142.65 4.86 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 122.163 1.909 . . . . 0.0 112.097 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.418 ' C ' ' N ' ' A' ' 28' ' ' ASP . 21.2 t -77.23 143.16 13.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.552 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.69 -13.03 0.74 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.418 ' N ' ' C ' ' A' ' 26' ' ' VAL . 13.7 t70 -71.13 -63.22 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 110.379 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -170.16 176.79 4.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.399 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.429 ' O ' ' CD1' ' A' ' 33' ' ' TRP . 11.9 mtp -75.97 -18.7 59.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.71 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -63.71 -44.47 93.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.293 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -99.0 121.14 40.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.337 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.429 ' CD1' ' O ' ' A' ' 30' ' ' MET . 7.3 m95 -111.51 171.33 7.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.967 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -131.86 175.04 9.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.525 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -157.54 161.02 38.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.568 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.2 m -146.08 123.91 11.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.473 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 95.1 mt -135.33 142.46 39.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.729 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.3 ttt -103.17 145.19 30.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.147 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.56 143.61 46.39 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.31 -168.96 0.42 Allowed 'Trans proline' 0 N--CA 1.493 1.474 0 C-N-CA 122.494 2.13 . . . . 0.0 112.047 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -96.69 32.68 2.01 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.551 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -155.19 43.7 0.47 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.616 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.5 m -157.09 126.86 3.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.32 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.491 ' C ' ' H ' ' A' ' 46' ' ' GLN . 85.7 Cg_exo -41.44 -36.39 2.82 Favored 'Trans proline' 0 N--CA 1.491 1.328 0 C-N-CA 122.284 1.989 . . . . 0.0 112.329 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -60.63 -0.43 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.742 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.491 ' H ' ' C ' ' A' ' 44' ' ' PRO . 10.2 tt0 -46.11 131.62 9.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.455 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.437 ' HA2' ' H ' ' B' ' 73' ' ' LEU . . . 86.03 40.4 7.56 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -147.03 172.22 27.55 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.8 t -129.51 138.44 54.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.799 0.333 . . . . 0.0 110.477 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -104.72 159.23 15.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.711 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -140.09 131.62 27.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.17 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.533 HD21 ' CE2' ' A' ' 69' ' ' PHE . 3.3 mp -137.36 148.14 46.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.74 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.8 m -112.87 141.63 46.46 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.254 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.9 mp -118.9 119.48 61.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.624 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 49.4 t60 -104.58 121.5 43.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.447 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -95.9 150.05 36.81 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.393 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -59.23 145.37 98.0 Favored 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 122.034 1.823 . . . . 0.0 111.282 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.3 p -81.12 9.13 7.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.114 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.651 ' O ' ' CG ' ' A' ' 60' ' ' TYR . 23.5 m-20 -117.76 -13.84 10.15 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.437 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.651 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 2.2 m-85 152.52 157.94 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.626 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.62 7.53 3.45 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.543 2.162 . . . . 0.0 113.232 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -87.87 -25.98 23.0 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.319 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -73.94 145.31 83.66 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.246 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -52.45 119.46 5.92 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.196 1.931 . . . . 0.0 112.087 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -79.12 172.07 15.37 Favored 'Trans proline' 0 N--CA 1.491 1.33 0 C-N-CA 122.377 2.051 . . . . 0.0 112.022 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -125.78 96.7 4.86 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.725 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.1 t -91.24 148.1 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.493 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -146.76 145.44 29.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.514 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.533 ' CE2' HD21 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -86.05 114.86 23.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.386 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.6 p -74.68 -48.1 27.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.822 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.8 m -70.39 157.43 37.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.572 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -82.27 93.09 7.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.454 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.1 tp -103.18 152.72 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.335 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -135.61 78.49 1.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.47 ' O ' ' O ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -124.17 147.03 53.33 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.317 -179.834 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -44.24 -63.67 0.31 Allowed 'Trans proline' 0 C--N 1.311 -1.408 0 C-N-CA 122.471 2.114 . . . . 0.0 112.692 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -77.69 8.95 3.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.583 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.47 ' O ' ' O ' ' A' ' 75' ' ' HIS . 6.4 mm -132.75 115.88 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 120.944 0.402 . . . . 0.0 110.555 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.489 HD21 HG22 ' A' ' 120' ' ' VAL . 10.0 t-20 -90.57 148.74 22.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.478 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.1 m -76.71 -1.52 28.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.579 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -86.94 -7.79 57.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.653 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.55 -2.84 42.57 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.7 m -77.36 94.23 4.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.821 0.343 . . . . 0.0 110.598 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 55.7 mt -99.87 108.44 22.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.503 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.412 ' SG ' HD23 ' A' ' 119' ' ' LEU . 11.9 t -70.11 117.27 11.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.753 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.1 mt -145.7 145.51 30.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.507 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -69.14 -52.02 32.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.954 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.507 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.1 OUTLIER -52.71 -21.09 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.719 -179.631 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.57 24.9 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.896 0.379 . . . . 0.0 110.306 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 61.5 mtt-85 -139.25 -103.01 0.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.483 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.497 ' C ' ' H ' ' A' ' 93' ' ' TRP . 10.2 t -98.06 -28.02 13.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.862 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -73.35 29.03 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.65 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.497 ' H ' ' C ' ' A' ' 91' ' ' SER . 70.3 t-105 -95.24 154.95 16.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.632 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.7 m -165.46 142.03 4.57 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.493 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -74.19 -0.09 9.15 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.38 2.053 . . . . 0.0 112.179 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -98.65 -43.67 6.73 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.985 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.9 pp -43.98 151.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.661 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 t -98.84 149.45 22.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.1 tp -52.9 -27.73 12.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.0 m -63.4 -37.27 86.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.034 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.567 ' HB3' ' HZ2' ' A' ' 101' ' ' LYS . 2.2 ttpm? -57.77 -51.1 70.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.173 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.9 p -69.22 -33.95 60.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.91 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.69 -50.02 75.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.567 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.456 HD13 ' SG ' ' A' ' 107' ' ' CYS . 4.1 mm? -68.05 -30.23 69.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.555 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 49.8 m -56.74 -33.48 66.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.627 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 85.0 mt -70.99 -56.07 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.551 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.456 ' SG ' HD13 ' A' ' 104' ' ' LEU . 15.1 p -54.4 -28.02 40.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.647 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 25.7 m -70.39 -46.27 64.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.54 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.54 -46.71 83.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.276 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 110' ' ' LEU . 0.2 OUTLIER -46.95 -35.52 6.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.34 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 15.8 t -73.05 -54.85 7.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.704 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -99.95 107.59 47.46 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.524 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -79.5 -162.97 0.2 Allowed 'Trans proline' 0 C--N 1.313 -1.336 0 C-N-CA 122.331 2.021 . . . . 0.0 112.084 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -155.25 74.2 5.47 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.668 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -79.56 74.69 5.43 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.766 2.311 . . . . 0.0 112.006 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -163.78 -58.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.585 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -146.64 58.21 4.26 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.46 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -72.46 -163.83 0.16 Allowed 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.741 2.294 . . . . 0.0 112.112 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.567 HD13 ' O ' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -86.44 -37.87 17.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.562 -179.716 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.489 HG22 HD21 ' A' ' 79' ' ' ASN . 4.0 t -119.56 83.4 27.44 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.748 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo -53.57 -22.34 21.74 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.739 2.293 . . . . 0.0 112.282 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -61.92 -51.96 66.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.582 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 36.0 mt -72.17 -26.41 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.495 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.02 -41.96 85.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.716 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -55.11 -42.09 72.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.725 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 130' ' ' ASP . 36.1 mt -59.14 -56.18 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.549 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -57.5 -31.21 65.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.604 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -50.46 -45.33 56.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.442 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 34.9 p -136.02 -42.18 0.66 Allowed 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.296 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 126' ' ' ILE . 37.1 m-20 -75.72 93.02 3.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.834 0.35 . . . . 0.0 110.564 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.8 tpp85 -97.86 -29.97 13.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.596 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.538 ' O ' ' ND2' ' A' ' 135' ' ' ASN . 10.0 t70 -70.54 -36.75 73.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.668 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -81.79 -37.49 27.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.517 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 134' ' ' TYR . 32.6 t80 -52.05 -30.93 27.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 132' ' ' ASP . 18.6 p30 -83.05 -31.18 27.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.007 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.52 ' N ' ' OD1' ' A' ' 135' ' ' ASN . 16.9 ttm-85 -63.08 -50.06 72.05 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.653 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.555 HD12 ' N ' ' A' ' 137' ' ' ILE . 1.3 mp -63.53 -53.36 46.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 36.0 m -53.4 -53.57 49.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.384 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -55.23 -24.98 30.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.447 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -73.48 -50.04 23.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.758 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -78.25 1.14 22.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.826 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.614 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 28.8 m -76.47 -60.38 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.2 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -76.19 -31.85 58.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.11 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.22 -54.66 15.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.312 -179.198 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' TYR . . . . . 0.528 ' C ' ' H ' ' A' ' 147' ' ' MET . 83.3 m-85 -132.46 -33.06 1.28 Allowed 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.699 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 142' ' ' THR . . . -69.21 37.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.865 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' MET . . . . . 0.528 ' H ' ' C ' ' A' ' 145' ' ' TYR . 32.3 mtt . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.276 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 30.2 ttp . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -130.94 147.77 52.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.498 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.6 pt -143.53 158.5 16.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.47 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -94.02 139.94 30.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.532 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 16.6 t -132.99 102.77 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.327 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -98.33 127.93 44.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.654 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.9 m -92.8 156.25 17.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.458 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.2 tp -55.94 -21.95 23.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.422 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 19.4 p -70.52 -10.35 59.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.557 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.72 -16.82 59.83 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -64.4 151.08 45.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.791 0.329 . . . . 0.0 110.562 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.3 m -137.0 133.25 35.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.511 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 17.6 pt -151.02 147.01 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.57 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 17.2 p -85.52 148.1 26.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.556 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.444 HD23 ' H ' ' B' ' 16' ' ' GLU . 0.5 OUTLIER -124.0 139.16 54.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.478 -179.602 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.444 ' H ' HD23 ' B' ' 15' ' ' LEU . 88.3 mt-10 -88.26 115.24 25.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.516 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 9.8 m -146.86 -177.68 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.488 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -141.38 131.14 12.81 Favored Pre-proline 0 CA--C 1.532 0.251 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.314 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -44.71 -31.18 4.77 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 122.285 1.99 . . . . 0.0 112.503 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.0 m -83.63 -17.2 42.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.078 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -75.14 133.05 41.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.464 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.93 144.92 54.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.389 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.417 HD11 HH22 ' B' ' 54' ' ' ARG . 12.3 mt -60.52 -28.26 42.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.421 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' B' ' 25' ' ' ASN . 8.5 pt-20 -49.73 -39.24 36.58 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.538 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.429 ' N ' ' CG ' ' B' ' 24' ' ' GLU . 13.7 t-20 -75.88 -36.4 59.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.694 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 95.4 t -52.91 -34.0 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -67.02 -28.87 68.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.351 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.55 -36.05 52.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -80.33 -30.99 38.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.468 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 14.5 tt -74.2 -35.77 41.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.046 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.568 ' HA ' HD12 ' B' ' 36' ' ' ILE . 20.9 pt20 -71.29 -38.06 71.81 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.562 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -75.07 -28.83 60.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.705 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -71.01 -49.95 39.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.269 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -95.25 -37.33 11.06 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.122 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.21 28.17 6.59 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' B' ' 31' ' ' GLN . 0.6 OUTLIER -109.66 142.98 26.91 Favored Pre-proline 0 CA--C 1.533 0.311 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 179.906 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.04 132.0 13.66 Favored 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 122.515 2.144 . . . . 0.0 112.276 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -73.68 -11.12 23.98 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.45 2.1 . . . . 0.0 112.089 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -59.8 -23.8 63.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.325 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -130.04 -20.9 3.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.679 0.276 . . . . 0.0 111.027 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -85.94 82.64 8.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.342 . . . . 0.0 110.603 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 1.9 ptp85 -88.52 139.3 30.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.585 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.579 HD12 ' N ' ' B' ' 43' ' ' LEU . 7.8 mp -91.12 142.85 27.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.443 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.703 HD12 HG21 ' B' ' 70' ' ' VAL . 82.1 mt -136.0 142.29 39.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.666 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -133.6 125.4 28.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.306 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.38 28.94 17.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.636 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.73 28.1 61.7 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -135.79 129.84 33.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.842 0.353 . . . . 0.0 110.568 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -67.67 146.02 54.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.468 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.9 mt -87.83 159.9 18.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -108.59 139.09 43.85 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.255 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.7 OUTLIER -79.0 -27.14 43.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 -179.576 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.29 -64.89 3.41 Favored Glycine 0 CA--C 1.529 0.914 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.499 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.613 ' HE ' ' CB ' ' B' ' 58' ' ' ASP . 3.2 ptm180 -76.84 177.11 7.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.103 0.478 . . . . 0.0 111.813 -178.529 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.583 ' O ' ' NH2' ' B' ' 54' ' ' ARG . 0.6 OUTLIER -108.94 164.4 12.44 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.707 -179.777 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.515 HD22 HD12 ' B' ' 61' ' ' ILE . 12.5 mt -53.27 -14.95 0.8 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.3 t -57.13 -28.86 63.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.484 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.613 ' CB ' ' HE ' ' B' ' 54' ' ' ARG . 3.0 t0 -76.92 -45.33 28.27 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.203 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -72.45 -10.21 59.51 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.244 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 54.29 52.76 11.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.647 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.515 HD12 HD22 ' B' ' 56' ' ' LEU . 71.9 mt -91.22 95.53 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.585 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -54.31 -172.66 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.603 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -81.76 175.86 10.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.645 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.523 ' N ' ' OE1' ' B' ' 64' ' ' GLU . 0.4 OUTLIER 47.77 25.45 0.71 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.488 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 7.3 p -87.22 136.47 32.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.53 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 12.0 p -87.89 140.96 28.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.503 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.11 140.2 53.27 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.319 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -91.84 112.15 23.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.14 121.78 34.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.172 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.703 HG21 HD12 ' B' ' 44' ' ' ILE . 88.6 t -103.98 161.14 4.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.664 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.555 ' N ' HG12 ' B' ' 70' ' ' VAL . 14.8 tp -136.0 106.62 6.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.393 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -93.64 105.51 17.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.476 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' LEU . . . . . 0.506 ' H ' HD12 ' B' ' 73' ' ' LEU . 4.0 mp . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.649 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.466 HD21 ' CZ ' ' A' ' 31' ' ' PHE . 26.6 mt -65.72 -20.22 66.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.57 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.473 ' HD2' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -79.1 -54.76 5.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.684 -179.888 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.703 ' HE ' ' N ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -55.48 -52.73 62.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.597 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 84.9 mt -53.09 -50.37 45.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.633 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' A' ' 3' ' ' LEU . 4.6 m-20 -52.93 -26.17 14.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.627 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -66.58 -44.08 83.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.442 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -61.58 -25.09 67.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.491 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.567 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -73.73 -42.34 61.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.398 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.5 m -63.52 -36.11 82.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.46 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -72.68 -29.2 63.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.558 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 mt -62.34 -49.11 76.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.461 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.06 -40.67 52.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.75 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 -74.96 -11.33 60.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.567 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -170.96 74.15 0.55 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.583 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -62.26 133.6 44.39 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.737 2.291 . . . . 0.0 111.69 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -51.22 132.65 39.74 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 121.895 1.73 . . . . 0.0 111.508 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.12 -52.08 11.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.541 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.508 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 19.9 tt0 -84.27 6.86 21.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.317 -179.135 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.508 ' SG ' ' O ' ' A' ' 20' ' ' GLN . 44.3 m -153.95 -162.77 1.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.936 0.398 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.8 p -179.0 108.39 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.26 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.45 175.86 5.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.024 0.44 . . . . 0.0 110.951 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -176.07 136.67 3.37 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.533 -1.027 . . . . 0.0 110.533 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.86 143.28 32.97 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.329 2.02 . . . . 0.0 112.132 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.2 m -130.1 153.97 39.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.488 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.29 155.23 27.81 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -62.11 -24.5 67.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 110.457 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -95.34 157.01 16.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.66 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.402 ' HE2' ' HE1' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -90.49 6.79 42.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.389 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.466 ' CZ ' HD21 ' A' ' 3' ' ' LEU . 43.6 m-85 -81.24 -33.83 32.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.644 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -90.47 123.43 34.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.684 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.402 ' HE1' ' HE2' ' A' ' 30' ' ' MET . 4.4 m95 -127.02 173.43 9.66 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.882 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -146.56 175.16 10.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.803 0.335 . . . . 0.0 110.522 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.455 ' HB1' ' CD2' ' A' ' 103' ' ' LEU . . . -151.39 161.94 41.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.504 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.7 m -141.74 125.23 16.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.505 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 65.7 mt -130.27 139.8 50.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.562 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 19.6 ttm -104.18 152.79 21.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.459 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.533 ' O ' ' O ' ' A' ' 40' ' ' PRO . . . -68.16 124.35 19.54 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.533 ' O ' ' O ' ' A' ' 39' ' ' GLY . 82.4 Cg_exo -40.11 -109.88 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 122.689 2.259 . . . . 0.0 112.688 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.464 ' H ' ' HB2' ' A' ' 40' ' ' PRO . 64.3 m-80 -155.59 -68.15 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.78 0.324 . . . . 0.0 110.509 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -68.35 -6.92 26.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.553 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.406 ' C ' ' H ' ' A' ' 45' ' ' TYR . 4.9 m -81.91 151.17 66.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.414 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.92 38.4 0.31 Allowed 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.555 2.17 . . . . 0.0 112.09 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.406 ' H ' ' C ' ' A' ' 43' ' ' SER . 97.5 m-85 -141.73 27.1 1.86 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.578 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -48.9 116.89 1.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.595 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.8 43.94 26.69 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -107.69 115.72 4.63 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 m -106.8 109.86 29.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.93 0.395 . . . . 0.0 110.506 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.508 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 2.6 m-85 -104.13 160.84 14.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.531 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -140.17 111.92 7.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.753 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.2 pp -114.45 148.77 37.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.122 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -94.92 157.12 16.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.772 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.4 mt -131.61 115.48 28.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.148 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -112.31 127.74 56.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.586 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -108.62 104.79 55.46 Favored Pre-proline 0 CA--C 1.53 0.211 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.737 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -56.66 167.97 2.57 Favored 'Trans proline' 0 N--CA 1.492 1.432 0 C-N-CA 121.98 1.787 . . . . 0.0 111.363 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.448 ' H ' HG22 ' A' ' 58' ' ' THR . 0.0 OUTLIER -60.61 -40.83 93.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.95 0.405 . . . . 0.0 110.155 179.667 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -86.73 23.57 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.231 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.602 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 19.6 t80 -59.46 -37.49 51.87 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.555 -179.562 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 60' ' ' TYR . 31.7 Cg_exo -57.82 -11.74 10.24 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.022 1.815 . . . . 0.0 112.023 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -123.47 -49.01 1.92 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -91.18 146.34 33.34 Favored Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.11 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -53.32 167.34 0.84 Allowed 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 122.349 2.033 . . . . 0.0 111.873 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -85.01 172.11 8.86 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.837 2.358 . . . . 0.0 112.19 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 42.6 tttm -114.39 82.14 1.66 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.229 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.6 t -81.33 148.07 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.704 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -147.44 125.68 12.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.611 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -86.4 115.81 24.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.284 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.7 p -79.13 -48.18 14.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.124 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.3 m -64.69 97.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.735 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.3 mtp85 -49.85 113.07 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.407 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.436 HG23 ' O ' ' A' ' 73' ' ' ILE . 13.2 tt -134.15 128.9 53.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.341 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.08 94.9 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.968 0.413 . . . . 0.0 110.097 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.526 ' CD2' ' HD2' ' A' ' 76' ' ' PRO . 5.0 t-160 -145.37 117.54 5.22 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.972 -179.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.534 ' C ' ' H ' ' A' ' 78' ' ' ILE . 81.6 Cg_exo -41.64 -51.46 4.32 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 122.319 2.013 . . . . 0.0 112.716 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -63.93 7.07 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.82 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.534 ' H ' ' C ' ' A' ' 76' ' ' PRO . 7.1 mt -147.88 129.19 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.922 0.391 . . . . 0.0 110.833 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 42.3 p30 -99.94 -164.19 1.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.471 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 75.1 m -76.67 -7.48 55.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.466 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -90.31 -16.09 29.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.614 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.407 ' O ' ' CD1' ' A' ' 84' ' ' ILE . . . 91.88 -7.27 79.25 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 53.1 m -54.94 118.13 4.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.716 0.293 . . . . 0.0 110.432 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.41 HD12 ' H ' ' A' ' 84' ' ' ILE . 3.4 mp -104.76 123.33 58.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.733 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 67.2 m -93.77 113.04 25.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.331 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.1 mt -123.83 175.59 6.81 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.527 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -69.14 -52.31 29.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.428 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.735 ' N ' HD13 ' A' ' 88' ' ' ILE . 0.2 OUTLIER -64.09 -31.86 55.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.034 -179.468 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.65 36.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.515 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.469 ' H ' ' C ' ' A' ' 88' ' ' ILE . 74.4 mtt180 -150.61 -120.16 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.546 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.497 ' C ' ' H ' ' A' ' 93' ' ' TRP . 16.1 p -85.89 -29.83 23.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.666 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.421 ' CD ' ' O ' ' A' ' 92' ' ' GLN . 0.0 OUTLIER -75.18 29.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.274 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.588 ' CE3' HD21 ' A' ' 97' ' ' LEU . 75.9 t-105 -87.81 155.96 19.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.773 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.54 ' O ' HD23 ' A' ' 97' ' ' LEU . 3.3 m -168.73 136.54 1.67 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.218 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -68.82 2.1 3.3 Favored 'Trans proline' 0 C--N 1.31 -1.462 0 C-N-CA 122.035 1.823 . . . . 0.0 112.027 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.05 -36.49 12.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.526 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.588 HD21 ' CE3' ' A' ' 93' ' ' TRP . 2.3 pp -53.8 152.1 5.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.587 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.3 p -107.68 174.0 6.07 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.937 0.399 . . . . 0.0 110.801 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.3 mm -87.42 -20.69 7.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.452 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.2 m -57.82 -48.69 79.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.785 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.63 -34.73 76.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 69.0 t -52.5 -33.93 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.485 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.455 ' CD2' ' HB1' ' A' ' 35' ' ' ALA . 19.1 mt -61.22 -42.43 98.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.156 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 15.2 mt -67.3 -36.05 80.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.37 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.2 m -52.1 -45.99 65.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.514 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 69.9 mt -68.03 -42.77 85.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.421 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.4 ' SG ' ' OE1' ' A' ' 20' ' ' GLN . 6.4 t -59.88 -50.44 73.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.391 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.0 t -51.92 -45.71 64.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.464 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -64.05 -52.02 61.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.156 179.831 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.5 tp -54.14 -26.03 25.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.463 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 9.5 t -68.92 -43.05 75.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.521 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -146.28 129.69 8.28 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.335 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -76.4 -163.65 0.21 Allowed 'Trans proline' 0 N--CA 1.492 1.422 0 C-N-CA 122.286 1.991 . . . . 0.0 112.124 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.571 ' O ' ' O ' ' A' ' 115' ' ' PRO . 13.5 t-20 -161.78 118.53 1.34 Allowed Pre-proline 0 CA--C 1.533 0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.319 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.571 ' O ' ' O ' ' A' ' 114' ' ' ASN . 96.9 Cg_exo -42.34 -118.22 0.0 OUTLIER 'Trans proline' 0 N--CA 1.497 1.73 0 C-N-CA 122.687 2.258 . . . . 0.0 112.804 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 116' ' ' ASP . 0.5 OUTLIER 59.73 -152.57 0.39 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.841 0.353 . . . . 0.0 110.722 -179.761 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -135.15 71.04 68.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.07 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -61.94 -151.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.985 2.457 . . . . 0.0 112.323 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.2 mt -55.18 -59.13 5.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.86 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.8 t -117.95 84.27 20.71 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.803 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -50.56 -19.76 5.38 Favored 'Trans proline' 0 C--N 1.309 -1.543 0 C-N-CA 122.664 2.242 . . . . 0.0 112.21 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -61.84 -52.06 65.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.464 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 79.0 mt -57.38 -41.47 78.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.511 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.98 -36.09 81.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.553 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -56.25 -34.21 66.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.426 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 65.0 mt -74.1 -47.26 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.293 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -60.09 -30.74 69.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.733 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.02 -68.12 0.2 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.016 -178.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.53 HG23 ' N ' ' A' ' 130' ' ' ASP . 14.5 t -109.95 -42.28 4.26 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.733 0.302 . . . . 0.0 111.234 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.53 ' N ' HG23 ' A' ' 129' ' ' THR . 1.6 m-20 -76.33 81.53 3.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.732 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.449 ' HE ' ' HA ' ' A' ' 131' ' ' ARG . 0.1 OUTLIER -89.92 -32.12 16.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.301 179.743 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -55.19 -49.03 72.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.632 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -70.34 -49.44 49.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.447 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -48.08 -31.25 5.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.441 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -72.03 -32.57 67.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.617 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -69.74 -50.11 46.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.765 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.569 HD12 ' N ' ' A' ' 137' ' ' ILE . 1.5 mp -61.47 -55.02 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.585 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' SER . . . . . 0.432 ' O ' ' OG1' ' A' ' 142' ' ' THR . 38.9 m -52.41 -41.15 62.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.287 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 31.4 ttt85 -77.55 -26.49 50.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.296 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' A' ' 140' ' ' GLU . 0.0 OUTLIER -73.58 -50.11 22.91 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.642 -179.738 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -71.42 1.32 6.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.953 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.619 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 97.4 m -78.0 -60.24 2.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.876 0.369 . . . . 0.0 111.149 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -69.65 -31.79 70.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.422 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -52.58 -50.27 63.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.787 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' TYR . . . . . 0.462 ' C ' ' H ' ' A' ' 147' ' ' MET . 44.8 m-85 -133.21 -33.12 1.15 Allowed 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 120.594 -0.442 . . . . 0.0 112.063 -178.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 142' ' ' THR . . . -69.53 43.75 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.981 -179.177 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 147' ' ' MET . . . . . 0.462 ' H ' ' C ' ' A' ' 145' ' ' TYR . 4.9 mmt . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.229 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.9 tpp . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -73.62 105.91 5.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.435 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 37.2 pt -124.26 159.79 29.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.654 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -97.06 142.33 29.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.263 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 76.4 t -129.84 103.04 7.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.394 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -90.14 155.09 19.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.514 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 6.0 m -132.69 160.96 35.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.502 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.593 ' O ' HD23 ' B' ' 8' ' ' LEU . 0.9 OUTLIER -56.06 -39.14 71.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.485 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 9' ' ' THR . . . . . 0.479 ' C ' ' H ' ' B' ' 11' ' ' LYS . 20.5 p -75.21 19.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' B' ' 8' ' ' LEU . . . 74.56 -21.69 1.48 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.479 ' H ' ' C ' ' B' ' 9' ' ' THR . 5.8 tmtm? -44.11 115.91 0.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.716 0.293 . . . . 0.0 110.387 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -135.78 122.78 21.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.729 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 12.3 pt -151.03 145.3 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.419 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.96 139.92 57.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.377 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.484 HD12 ' HD2' ' B' ' 33' ' ' LYS . 0.8 OUTLIER -116.67 165.13 13.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.555 -179.747 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -117.33 119.79 36.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.197 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.415 HG12 ' N ' ' B' ' 18' ' ' GLU . 3.7 t -133.4 161.25 41.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.939 0.399 . . . . 0.0 110.961 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' B' ' 20' ' ' SER . 3.5 tp10 -104.17 124.74 36.42 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.051 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -44.86 -10.73 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 122.226 1.951 . . . . 0.0 112.465 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.541 ' N ' ' O ' ' B' ' 18' ' ' GLU . 4.4 m -112.03 -17.2 12.91 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.894 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' B' ' 18' ' ' GLU . 18.9 m-20 -62.55 136.21 57.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 110.379 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.2 p -81.79 176.49 9.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.607 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.569 HG22 ' NZ ' ' B' ' 27' ' ' LYS . 7.6 mm -75.0 -20.16 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.721 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -70.15 -32.42 70.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.938 0.399 . . . . 0.0 110.121 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -85.31 -44.11 13.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.042 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -52.74 -33.95 19.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.246 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.569 ' NZ ' HG22 ' B' ' 23' ' ' ILE . 35.6 mttp -62.8 -31.27 72.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.9 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.15 -27.66 53.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.66 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -76.1 -29.61 57.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.05 -179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.657 HD13 HD12 ' B' ' 69' ' ' LEU . 90.1 mt -75.51 -52.35 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.732 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -57.34 -29.94 64.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 110.352 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -75.2 -29.0 60.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.727 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.484 ' HD2' HD12 ' B' ' 15' ' ' LEU . 25.1 ttmt -100.45 -17.64 17.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.26 -179.31 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' B' ' 30' ' ' ILE . 33.7 mt-10 -108.46 -36.98 6.08 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 121.111 -0.236 . . . . 0.0 110.602 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.67 -22.21 34.56 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.408 HG21 HD13 ' B' ' 36' ' ' ILE . 4.2 pt -61.69 114.96 12.68 Favored Pre-proline 0 CA--C 1.533 0.326 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.376 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.35 142.0 38.85 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.163 1.909 . . . . 0.0 112.344 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.483 ' C ' ' H ' ' B' ' 40' ' ' GLN . 72.3 Cg_exo -43.08 -39.62 8.28 Favored 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 122.702 2.268 . . . . 0.0 112.755 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -55.18 -1.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.733 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.483 ' H ' ' C ' ' B' ' 38' ' ' PRO . 59.6 mt-30 -126.22 -1.81 6.99 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 121.001 -0.279 . . . . 0.0 111.159 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.68 HE21 ' N ' ' B' ' 41' ' ' GLN . 0.0 OUTLIER -76.98 121.19 23.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.961 0.41 . . . . 0.0 111.491 -179.371 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -145.36 105.3 4.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.719 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.508 ' N ' HD22 ' B' ' 43' ' ' LEU . 3.7 mm? -85.86 139.71 31.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.101 0.476 . . . . 0.0 111.097 -179.148 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' B' ' 49' ' ' GLN . 2.4 tp -137.97 131.76 42.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.917 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -139.54 137.05 35.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.612 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.92 37.97 25.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.54 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.43 15.07 58.69 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -126.26 137.02 53.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.805 0.336 . . . . 0.0 110.501 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.462 ' HA ' HD12 ' B' ' 44' ' ' ILE . 19.3 pt20 -74.53 142.0 44.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.499 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.788 ' N ' HD12 ' B' ' 50' ' ' LEU . 4.7 mp -87.91 132.89 34.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.592 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -61.33 148.29 41.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.291 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -68.98 -24.75 64.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.857 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -117.72 73.29 0.29 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.475 ' CB ' ' OH ' ' B' ' 59' ' ' TYR . 1.8 mmt-85 -153.27 144.89 23.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.789 0.328 . . . . 0.0 110.194 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.46 ' OG1' ' OD2' ' B' ' 58' ' ' ASP . 6.9 p -91.65 147.43 23.01 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.178 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.599 HD12 HG13 ' B' ' 61' ' ' ILE . 1.9 mm? -58.65 -36.9 74.86 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.687 -0.405 . . . . 0.0 109.954 -179.647 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 30.9 t -55.83 -29.06 59.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.607 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.46 ' OD2' ' OG1' ' B' ' 55' ' ' THR . 64.1 m-20 -64.27 -45.12 89.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.673 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.475 ' OH ' ' CB ' ' B' ' 54' ' ' ARG . 24.6 m-85 -80.32 -1.39 40.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.427 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 56.52 69.32 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.929 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.599 HG13 HD12 ' B' ' 56' ' ' LEU . 30.9 mm -81.23 166.56 2.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.256 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLN . . . . . 0.575 ' N ' HG22 ' B' ' 61' ' ' ILE . 74.1 mt-30 -124.31 158.18 33.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.468 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.71 ' HZ2' ' CD ' ' B' ' 64' ' ' GLU . 4.9 ttpp -56.19 144.97 27.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.276 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.71 ' CD ' ' HZ2' ' B' ' 63' ' ' LYS . 7.3 mp0 55.6 29.41 13.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.402 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.1 t -52.6 168.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.556 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.9 m -130.19 110.7 11.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.647 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -122.42 155.42 36.13 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.126 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -110.51 144.56 39.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.328 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.657 HD12 HD13 ' B' ' 30' ' ' ILE . 5.5 tt -122.65 118.41 28.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.667 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.623 ' N ' HD23 ' B' ' 69' ' ' LEU . 17.1 m -104.94 136.21 39.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.329 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 24.9 mt -84.23 115.66 22.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.527 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.441 ' HG2' ' H ' ' B' ' 72' ' ' ARG . 13.0 ptm180 -85.67 121.21 28.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.444 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 2.8 mp . . . . . 0 C--N 1.332 -0.194 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.447 -179.834 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.757 HD22 ' N ' ' A' ' 3' ' ' LEU . 2.6 mm? -58.6 -36.92 74.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.216 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.3 pttt -79.13 -49.22 12.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.747 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -57.44 -55.36 35.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.801 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.4 mt -53.02 -38.92 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.566 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -66.3 -19.86 65.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.615 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.86 -50.08 74.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.437 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -67.11 -34.7 78.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.639 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.59 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -57.04 -37.95 72.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.512 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.8 t -59.94 -50.34 74.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.66 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -73.74 -21.98 60.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.575 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.7 tp -76.84 -48.61 17.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.658 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.66 -60.79 2.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.779 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.2 mtp-105 -44.67 -38.45 4.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.769 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -161.57 90.8 1.47 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.653 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -79.21 150.65 22.9 Favored 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 122.305 2.004 . . . . 0.0 111.893 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -51.65 127.83 24.09 Favored 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 122.166 1.911 . . . . 0.0 111.926 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.11 -35.26 61.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.546 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -59.36 -25.84 64.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.716 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.2 p -161.99 137.28 7.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.805 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.461 ' HB3' ' CD2' ' B' ' 68' ' ' HIS . 3.3 t -88.46 149.97 23.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.336 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.422 ' HB1' ' O ' ' A' ' 34' ' ' GLN . . . -163.8 159.16 20.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.74 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.9 154.14 11.2 Favored Glycine 0 CA--C 1.528 0.871 0 N-CA-C 110.811 -0.915 . . . . 0.0 110.811 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -73.23 148.03 43.27 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 122.61 2.207 . . . . 0.0 112.09 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.7 t -85.55 131.6 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.486 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 52.42 -167.52 0.93 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -78.44 -1.59 34.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 110.589 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -71.16 101.49 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.544 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.525 ' O ' ' CG ' ' A' ' 31' ' ' PHE . 1.9 mmt -84.49 81.19 8.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.409 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.525 ' CG ' ' O ' ' A' ' 30' ' ' MET . 38.7 m-85 -163.85 -39.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.703 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -101.65 120.77 40.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.881 0.372 . . . . 0.0 110.841 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -117.51 155.66 29.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.759 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.422 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 3.0 pt20 -146.07 170.87 15.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.771 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -159.8 175.73 12.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.436 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.2 t -146.04 154.46 41.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.621 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.9 mt -142.09 136.92 30.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.539 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.494 ' SD ' ' O ' ' B' ' 71' ' ' LEU . 10.5 ttp -107.96 148.74 29.27 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.639 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 41' ' ' ASN . . . -47.37 109.16 0.38 Allowed Glycine 0 CA--C 1.531 1.079 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.512 ' CB ' ' SG ' ' A' ' 111' ' ' CYS . 77.0 Cg_exo -47.24 -6.9 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.309 2.006 . . . . 0.0 112.308 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.539 ' N ' ' O ' ' A' ' 39' ' ' GLY . 2.7 m-20 74.34 48.45 0.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.554 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 2.3 m-20 -155.06 -47.21 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.352 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.89 162.78 48.73 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.215 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.513 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 37.5 Cg_endo -67.54 76.57 0.53 Allowed 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.562 2.175 . . . . 0.0 112.016 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.513 ' CD2' ' O ' ' A' ' 44' ' ' PRO . 3.3 m-85 -175.54 15.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -52.66 133.02 36.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.654 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.89 -0.56 88.27 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -90.85 111.43 3.95 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.405 ' O ' HG23 ' A' ' 49' ' ' VAL . 32.6 m -86.22 131.28 34.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.743 0.306 . . . . 0.0 110.367 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -113.24 146.44 39.32 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.746 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -131.66 135.13 46.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.186 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.3 pp -138.28 130.66 28.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.548 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.533 HG22 ' N ' ' A' ' 54' ' ' ILE . 29.0 m -95.04 163.34 13.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.417 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.564 HG22 ' N ' ' A' ' 55' ' ' HIS . 63.0 mt -128.61 162.64 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.237 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.564 ' N ' HG22 ' A' ' 54' ' ' ILE . 93.9 m-70 -145.39 106.19 4.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.578 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -80.74 140.22 50.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.224 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -73.95 157.69 46.88 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.421 2.081 . . . . 0.0 112.029 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.5 p -79.76 0.05 32.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.336 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.479 ' C ' ' CG ' ' A' ' 60' ' ' TYR . 1.2 m-20 -109.34 23.11 14.94 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.523 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 62' ' ' PHE . 4.6 m-85 74.33 149.86 0.13 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.581 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.475 ' O ' ' N ' ' A' ' 63' ' ' LYS . 96.0 Cg_exo -37.71 -23.05 0.05 OUTLIER 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 122.59 2.193 . . . . 0.0 112.306 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 60' ' ' TYR . 16.3 m-85 -45.19 -17.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.236 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 61' ' ' PRO . 12.8 mttt -107.16 139.29 20.31 Favored Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.263 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -52.57 117.86 4.1 Favored 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 122.023 1.816 . . . . 0.0 111.773 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -79.01 146.53 20.4 Favored 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 122.222 1.948 . . . . 0.0 111.999 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -88.19 139.02 30.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.798 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.5 t -137.13 143.44 34.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.013 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -140.79 170.88 14.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.995 0.426 . . . . 0.0 110.897 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.472 ' H ' ' HA3' ' A' ' 82' ' ' GLY . 0.1 OUTLIER -120.81 104.21 9.69 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.21 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.433 HG22 ' H ' ' A' ' 70' ' ' THR . 0.1 OUTLIER -66.03 -26.71 67.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.707 -179.78 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.1 m -87.02 143.36 27.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.675 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.2 mmt-85 -83.77 94.17 8.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.337 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.558 HG23 ' O ' ' A' ' 73' ' ' ILE . 3.3 tt -104.39 122.45 57.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.233 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -89.61 52.64 2.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.739 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -97.46 135.17 21.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.966 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -69.08 66.58 1.37 Allowed 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.104 1.869 . . . . 0.0 111.972 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.457 ' ND2' HD11 ' A' ' 109' ' ' LEU . 3.9 t-20 -173.86 -6.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.406 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 42.4 mt -132.64 128.37 57.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.369 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.504 ' CG ' ' H ' ' A' ' 80' ' ' SER . 25.7 t-20 -73.5 -159.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.707 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.504 ' H ' ' CG ' ' A' ' 79' ' ' ASN . 15.5 p -84.41 -37.1 21.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.744 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.476 ' ND2' ' OG ' ' A' ' 83' ' ' SER . 27.8 p-10 -72.94 1.46 8.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.5 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.472 ' HA3' ' H ' ' A' ' 69' ' ' PHE . . . 80.3 33.35 32.26 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.476 ' OG ' ' ND2' ' A' ' 81' ' ' ASN . 39.1 m -73.62 102.52 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 0.0 110.431 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.6 mt -91.9 127.76 43.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.592 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 85' ' ' CYS . 31.2 p -81.56 113.01 19.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.36 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.5 mt -133.87 111.35 10.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.337 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -59.44 -24.09 63.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.758 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.467 ' N ' HD13 ' A' ' 88' ' ' ILE . 3.4 mm -51.95 -47.61 41.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.44 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.487 HD12 ' N ' ' A' ' 89' ' ' LEU . 9.7 mp -53.15 -38.83 63.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.977 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 92' ' ' GLN . 61.6 mtp180 -65.64 -167.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.66 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.434 ' C ' ' H ' ' A' ' 93' ' ' TRP . 15.7 t -37.36 -26.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.218 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.526 ' N ' ' O ' ' A' ' 90' ' ' ARG . 27.1 mm-40 -77.32 28.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.649 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.434 ' H ' ' C ' ' A' ' 91' ' ' SER . 71.0 t-105 -105.38 102.95 12.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.564 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.545 ' O ' ' N ' ' A' ' 96' ' ' ALA . 1.0 OUTLIER -87.12 121.73 71.35 Favored Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.363 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -45.76 -9.52 0.04 OUTLIER 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 122.122 1.881 . . . . 0.0 112.167 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -145.08 67.48 1.24 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.466 ' H ' ' HG ' ' A' ' 97' ' ' LEU . 2.4 pp -104.01 150.54 24.15 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.426 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.54 ' O ' ' N ' ' A' ' 100' ' ' SER . 7.2 m -83.15 94.33 7.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.073 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 17.6 tt -38.63 -23.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.54 ' N ' ' O ' ' A' ' 98' ' ' THR . 97.2 p -53.07 -37.58 61.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.701 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -70.61 -36.38 73.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.858 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.1 t -57.61 -52.23 59.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.744 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.407 HD12 ' N ' ' A' ' 103' ' ' LEU . 10.0 mp -51.93 -46.78 64.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.529 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.03 -39.06 84.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.342 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.2 m -53.53 -41.23 66.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.36 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 86.9 mt -71.06 -34.48 55.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.517 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 47.6 t -65.04 -45.14 86.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.1 p -70.68 -24.93 62.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.642 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.457 HD11 ' ND2' ' A' ' 77' ' ' ASN . 32.5 tp -57.93 -47.57 82.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.68 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 110' ' ' LEU . 7.3 mp -73.96 -36.34 64.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.712 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.512 ' SG ' ' CB ' ' A' ' 40' ' ' PRO . 1.8 m -79.46 5.08 13.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.609 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -170.82 68.23 0.5 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.692 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.89 163.69 28.35 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.685 2.257 . . . . 0.0 111.946 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -145.27 72.99 14.46 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.524 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_exo -48.75 113.08 0.75 Allowed 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.792 2.328 . . . . 0.0 112.08 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -140.92 -93.5 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.488 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.462 ' N ' ' CD ' ' A' ' 118' ' ' PRO . 91.3 m-20 -133.06 53.04 9.78 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.62 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' A' ' 117' ' ' ASP . 56.9 Cg_endo -71.62 -174.23 1.22 Allowed 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.704 2.269 . . . . 0.0 111.997 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 30.0 mt -80.35 22.36 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.341 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 5.6 m -150.78 66.21 7.32 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.483 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -64.01 -21.31 68.41 Favored 'Trans proline' 0 C--N 1.307 -1.605 0 C-N-CA 122.49 2.127 . . . . 0.0 112.14 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.04 -40.4 75.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.42 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 56.0 mt -76.43 -26.04 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.335 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.25 -53.05 59.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.458 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -56.89 -50.38 72.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.606 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.429 ' O ' ' O ' ' A' ' 130' ' ' ASP . 71.0 mt -54.26 -47.89 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.948 0.404 . . . . 0.0 110.2 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.574 ' CZ ' ' CZ ' ' A' ' 131' ' ' ARG . 59.2 t80 -70.96 -31.42 67.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.693 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.61 -68.21 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.34 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.32 -42.23 3.96 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.67 0.271 . . . . 0.0 111.284 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 126' ' ' ILE . 11.5 t0 -74.94 66.89 1.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.982 0.42 . . . . 0.0 110.557 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.574 ' CZ ' ' CZ ' ' A' ' 127' ' ' TYR . 13.0 mmt180 -72.46 -39.87 67.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.568 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -49.95 -49.06 51.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.018 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -66.0 -49.61 67.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.507 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -47.87 -39.8 19.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.548 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -65.37 -35.33 80.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.472 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -63.49 -50.13 70.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.552 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.605 HD12 ' N ' ' A' ' 137' ' ' ILE . 1.5 mp -69.1 -37.12 76.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.325 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' SER . . . . . 0.417 ' O ' ' OG1' ' A' ' 142' ' ' THR . 14.5 t -58.14 -44.0 87.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.818 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -78.95 -30.18 44.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.744 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.423 ' OE2' ' O ' ' A' ' 140' ' ' GLU . 3.0 tm-20 -72.17 -37.95 69.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.457 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -78.16 -4.04 45.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.483 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.714 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 6.5 m -77.85 -60.55 2.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.849 0.356 . . . . 0.0 110.506 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.641 ' NE2' ' SD ' ' A' ' 147' ' ' MET . 34.9 mm-40 -64.83 -31.15 72.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.237 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 62.6 tttt -48.56 -54.57 13.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.817 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -133.23 -33.37 1.13 Allowed 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.513 -0.475 . . . . 0.0 112.221 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.714 ' HB3' ' O ' ' A' ' 142' ' ' THR . . . -53.44 -55.78 22.31 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.801 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' MET . . . . . 0.641 ' SD ' ' NE2' ' A' ' 143' ' ' GLN . 4.1 mtt . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.549 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.441 ' O ' ' OE1' ' B' ' 16' ' ' GLU . 7.5 ptt? . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.583 ' NE2' ' OE2' ' B' ' 16' ' ' GLU . 5.2 tp-100 -122.88 143.55 49.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.633 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.3 pt -149.95 145.88 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.3 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.57 ' CE2' ' CG2' ' B' ' 14' ' ' THR . 25.6 m-85 -98.2 142.8 29.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.54 ' O ' HG23 ' B' ' 5' ' ' VAL . 5.3 m -135.52 124.28 39.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.252 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -122.96 131.37 53.69 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.582 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.464 ' OG1' ' N ' ' B' ' 8' ' ' LEU . 0.0 OUTLIER -110.36 174.74 5.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.605 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.471 HD22 ' N ' ' B' ' 8' ' ' LEU . 3.8 mm? -61.09 -27.01 68.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.34 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.421 ' OG1' HG23 ' B' ' 7' ' ' THR . 19.9 p -67.93 -4.93 14.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.538 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.68 -8.4 62.44 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.21 130.81 45.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.776 0.322 . . . . 0.0 110.423 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.8 m -137.01 124.94 22.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.356 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 9.0 pt -150.44 147.2 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.613 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.57 ' CG2' ' CE2' ' B' ' 4' ' ' PHE . 19.2 p -84.4 121.68 27.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.573 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.435 ' N ' HD12 ' B' ' 15' ' ' LEU . 11.1 mp -96.4 164.18 12.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.519 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.583 ' OE2' ' NE2' ' B' ' 2' ' ' GLN . 43.5 mm-40 -117.67 126.77 53.09 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.22 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.442 HG22 ' N ' ' B' ' 18' ' ' GLU . 10.7 p -155.5 154.85 6.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.856 0.36 . . . . 0.0 110.776 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.442 ' N ' HG22 ' B' ' 17' ' ' VAL . 26.1 mt-10 -87.53 150.36 48.55 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.233 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.97 -15.32 43.3 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 122.57 2.18 . . . . 0.0 112.357 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.1 m -96.07 -16.95 21.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.751 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -57.3 169.99 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.342 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -119.12 149.42 41.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.446 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 13.2 mm -50.84 -19.61 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.932 0.396 . . . . 0.0 110.417 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -72.52 -30.06 64.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.605 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -85.07 -49.53 8.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.0 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 p -52.8 -35.29 21.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.845 0.355 . . . . 0.0 110.234 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -62.3 -28.85 70.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.988 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.35 -31.13 54.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.822 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.405 ' NZ ' ' CB ' ' B' ' 29' ' ' LYS . 6.6 mtpm? -80.0 -44.42 20.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.43 -179.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.466 HG23 ' N ' ' B' ' 31' ' ' GLN . 13.4 tt -59.83 -41.71 86.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.053 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' B' ' 35' ' ' GLY . 7.4 pt20 -65.4 -42.25 92.78 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.476 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -66.28 -28.82 69.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.903 0.382 . . . . 0.0 110.379 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.03 -62.9 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.88 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -81.53 -33.48 31.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.039 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . 106.71 -11.14 41.97 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 29.8 mt -67.91 132.07 92.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -68.49 161.19 46.05 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.127 1.885 . . . . 0.0 112.054 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.06 -34.09 38.94 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.779 2.319 . . . . 0.0 112.299 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -54.99 -38.43 67.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.623 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.587 HE22 HD23 ' B' ' 73' ' ' LEU . 8.3 mm-40 -91.61 -12.38 34.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.594 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -81.24 136.01 35.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.899 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.806 ' HE ' HD11 ' B' ' 44' ' ' ILE . 68.6 ttt180 -145.19 151.31 38.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.192 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.7 mt -125.76 122.64 36.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.866 0.365 . . . . 0.0 110.805 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.806 HD11 ' HE ' ' B' ' 42' ' ' ARG . 45.8 mm -123.69 154.84 30.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.136 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' B' ' 48' ' ' LYS . 25.7 t80 -159.46 114.33 2.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.539 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 45.52 31.14 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.578 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.87 27.93 44.11 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' B' ' 45' ' ' PHE . 69.7 mmtt -125.0 116.97 22.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.801 0.334 . . . . 0.0 110.451 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -81.01 131.74 35.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.563 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.578 ' N ' HD12 ' B' ' 50' ' ' LEU . 10.1 mp -82.07 134.11 35.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.611 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -83.81 153.63 23.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.42 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -65.67 -37.7 87.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -97.45 67.24 0.83 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -148.01 146.89 29.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.722 0.296 . . . . 0.0 110.28 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 28.5 p -98.86 149.06 23.3 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.487 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.52 HD22 ' N ' ' B' ' 56' ' ' LEU . 3.8 mm? -52.41 -45.45 65.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.599 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 12.8 t -58.48 -28.94 65.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.729 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -63.2 -45.09 93.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.742 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -83.34 -4.54 58.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.547 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ASN . . . . . 0.41 ' O ' ' NE2' ' B' ' 62' ' ' GLN . 31.4 m-80 44.09 55.17 5.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.504 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 36.3 mt -83.34 -6.35 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.628 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.527 ' OE1' ' N ' ' B' ' 62' ' ' GLN . 1.1 mp0 55.71 -170.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.527 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -99.74 166.17 11.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.712 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 53.99 48.27 21.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.786 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 13.3 p -105.1 168.11 9.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.547 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 85.0 m -121.41 109.0 14.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.545 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 17.9 mt -91.37 140.76 29.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.447 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.461 ' CD2' ' HB3' ' A' ' 22' ' ' SER . 14.8 t60 -92.35 107.32 19.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.764 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.795 HD13 ' O ' ' B' ' 42' ' ' ARG . 3.8 mm? -89.25 136.2 33.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.272 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 58.4 t -128.6 143.01 42.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.461 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.494 ' O ' ' SD ' ' A' ' 38' ' ' MET . 15.0 mt -97.7 121.58 39.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.736 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 -91.28 85.84 5.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.166 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.587 HD23 HE22 ' B' ' 40' ' ' GLN . 5.5 mt -79.49 114.52 18.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.592 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.44 ' O ' ' O ' ' B' ' 75' ' ' GLY . 2.1 tpt180 -81.34 -66.99 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.52 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' B' ' 74' ' ' ARG . . . 47.85 100.32 0.01 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.779 0 CA-C-O 117.99 -1.45 . . . . 0.0 110.995 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.8 mt -50.0 -19.95 0.83 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.373 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.439 ' HZ3' ' HB3' ' A' ' 4' ' ' LYS . 4.3 mmmm -75.86 -49.07 18.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.529 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -75.04 -35.86 61.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.613 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.4 mt -70.11 -49.02 58.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -52.88 -19.95 2.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.867 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.7 ttpp -67.27 -44.85 78.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.621 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.14 -34.2 65.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.478 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.586 HD12 ' CH2' ' A' ' 33' ' ' TRP . 1.2 tp -50.16 -40.46 46.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.494 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.3 t -59.94 -33.87 72.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.601 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -60.33 -32.77 71.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.68 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.6 mt -85.76 -12.99 49.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.662 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.83 -56.91 4.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.736 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.403 ' HG3' ' H ' ' A' ' 16' ' ' ASP . 0.8 OUTLIER -45.65 -48.65 14.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.643 -179.861 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.403 ' H ' ' HG3' ' A' ' 15' ' ' ARG . 13.7 t0 -176.39 100.51 0.24 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.358 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -80.95 150.65 18.26 Favored 'Trans proline' 0 C--N 1.312 -1.361 0 C-N-CA 122.32 2.014 . . . . 0.0 111.922 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -51.61 127.89 24.23 Favored 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 122.161 1.908 . . . . 0.0 112.108 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.22 -36.25 61.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.782 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -87.9 -3.94 58.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.7 m -151.03 62.58 0.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.787 0.327 . . . . 0.0 110.804 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.6 p -67.52 150.32 49.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.527 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -157.46 155.92 31.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.487 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -157.1 161.61 31.25 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.86 148.14 35.57 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.85 2.367 . . . . 0.0 112.208 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 26' ' ' VAL . 13.5 p -116.37 128.27 73.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.313 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.75 150.47 6.98 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -52.42 -29.79 26.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.791 0.329 . . . . 0.0 110.433 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 29' ' ' ASP . 10.5 p30 -79.74 141.63 36.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.525 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.409 ' C ' ' H ' ' A' ' 32' ' ' HIS . 0.8 OUTLIER -90.65 -9.12 48.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.545 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -62.79 -3.68 1.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.387 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.409 ' H ' ' C ' ' A' ' 30' ' ' MET . 1.1 t-80 -136.29 120.95 18.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.384 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.586 ' CH2' HD12 ' A' ' 10' ' ' LEU . 14.8 m95 -115.11 177.24 4.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.35 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -145.85 169.19 19.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.362 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -167.04 145.97 5.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.347 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.6 m -135.38 148.43 49.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.01 0.433 . . . . 0.0 110.721 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.8 pt -150.85 174.02 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.473 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.508 ' SD ' ' O ' ' B' ' 71' ' ' LEU . 6.2 ttt -129.91 156.44 44.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.315 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 40' ' ' PRO . . . -84.63 114.58 3.95 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 39' ' ' GLY . 73.7 Cg_exo -46.15 179.24 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.241 1.96 . . . . 0.0 112.11 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.416 HD21 ' CD2' ' B' ' 73' ' ' LEU . 3.4 m-20 -71.12 -31.46 67.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.622 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -66.09 -23.12 66.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.571 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.542 ' O ' ' N ' ' A' ' 45' ' ' TYR . 5.9 p -96.71 110.83 55.2 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.406 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.507 ' C ' ' H ' ' A' ' 46' ' ' GLN . 71.5 Cg_exo -45.59 -9.78 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 122.264 1.976 . . . . 0.0 112.322 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.542 ' N ' ' O ' ' A' ' 43' ' ' SER . 48.7 m-85 -68.5 10.7 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.564 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.507 ' H ' ' C ' ' A' ' 44' ' ' PRO . 43.4 mt-30 -45.88 121.58 3.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.463 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.32 -28.28 16.73 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.31 165.36 53.9 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.408 ' O ' HG23 ' A' ' 49' ' ' VAL . 20.5 m -141.64 133.13 27.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.833 0.349 . . . . 0.0 110.603 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -101.55 161.31 13.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.572 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 70' ' ' THR . 31.2 m-85 -140.04 132.06 27.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.292 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.523 HD22 ' CE1' ' A' ' 69' ' ' PHE . 0.3 OUTLIER -137.44 136.3 37.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.441 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 m -108.03 139.94 41.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.543 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.404 HD12 ' N ' ' A' ' 54' ' ' ILE . 3.9 mp -105.13 153.94 6.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.42 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -143.32 116.57 9.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.498 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.452 ' CD1' ' N ' ' A' ' 56' ' ' PHE . 25.2 m-85 -89.18 147.53 38.66 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.367 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.25 154.44 41.32 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 C-N-CA 122.461 2.107 . . . . 0.0 111.91 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.7 p -71.04 -9.33 57.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.268 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.471 ' C ' ' CG ' ' A' ' 60' ' ' TYR . 54.4 t0 -97.44 22.51 8.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.571 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.529 ' O ' ' N ' ' A' ' 62' ' ' PHE . 3.2 m-85 72.05 149.76 0.13 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.575 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' A' ' 63' ' ' LYS . 95.9 Cg_exo -37.25 -24.26 0.05 OUTLIER 'Trans proline' 0 C--N 1.312 -1.384 0 C-N-CA 122.694 2.263 . . . . 0.0 112.311 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.529 ' N ' ' O ' ' A' ' 60' ' ' TYR . 22.5 m-85 -45.78 -15.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.415 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 61' ' ' PRO . 6.8 mptt -113.11 147.27 36.93 Favored Pre-proline 0 CA--C 1.534 0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.231 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -55.54 118.43 5.19 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 C-N-CA 122.196 1.931 . . . . 0.0 111.863 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -79.39 159.29 25.96 Favored 'Trans proline' 0 C--N 1.312 -1.378 0 C-N-CA 122.342 2.028 . . . . 0.0 112.113 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.9 mmtm -96.73 137.01 36.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.484 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 p -137.18 147.96 26.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.463 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -158.6 145.99 17.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.579 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.523 ' CE1' HD22 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -83.52 114.06 21.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.261 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 51' ' ' PHE . 7.6 m -62.53 -46.04 90.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.399 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.7 m -87.39 133.64 33.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.4 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -65.77 148.27 52.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.487 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.4 tt -153.86 137.92 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.389 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -94.79 31.82 1.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.44 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.492 ' O ' ' O ' ' A' ' 76' ' ' PRO . 71.0 t60 -94.64 133.08 27.34 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.374 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.525 ' C ' ' H ' ' A' ' 78' ' ' ILE . 73.0 Cg_exo -43.79 178.23 0.0 OUTLIER 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 122.314 2.01 . . . . 0.0 112.098 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.52 ' N ' ' OD1' ' A' ' 77' ' ' ASN . 1.0 OUTLIER 62.11 -3.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.72 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.525 ' H ' ' C ' ' A' ' 76' ' ' PRO . 47.6 mt -138.43 122.13 20.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.351 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.445 ' N ' ' OD1' ' A' ' 79' ' ' ASN . 1.4 m120 -98.11 -158.24 0.66 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.494 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.5 t -77.21 -18.48 57.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.513 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -81.98 -13.14 57.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.536 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.96 12.37 79.76 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.5 m -59.73 111.83 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.788 0.328 . . . . 0.0 110.503 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.3 mt -92.05 119.49 39.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.548 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 10.4 t -82.18 112.88 19.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.516 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.0 mt -146.95 137.6 23.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.25 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -69.15 -52.02 32.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.969 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.79 ' H ' HD12 ' A' ' 88' ' ' ILE . 0.7 OUTLIER -51.5 -37.33 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.538 -179.624 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -61.47 -35.56 77.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.188 179.819 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 92' ' ' GLN . 15.1 mtp-105 -74.75 -165.19 0.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.801 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.541 ' C ' ' H ' ' A' ' 93' ' ' TRP . 15.4 p -37.31 -30.39 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.379 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 90' ' ' ARG . 18.2 mm100 -71.93 29.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.635 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.541 ' H ' ' C ' ' A' ' 91' ' ' SER . 62.5 t-105 -98.69 102.93 14.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.421 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.4 m -90.11 141.18 27.64 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.569 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -74.07 0.46 8.37 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 122.464 2.109 . . . . 0.0 112.19 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -120.06 17.21 12.48 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.013 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.719 ' C ' HD12 ' A' ' 97' ' ' LEU . 3.7 pp -86.75 152.08 22.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.43 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.523 ' C ' ' H ' ' A' ' 100' ' ' SER . 38.7 p -94.38 125.83 39.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.357 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.3 tt -55.39 -3.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.653 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.523 ' H ' ' C ' ' A' ' 98' ' ' THR . 8.6 t -71.36 -61.05 1.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.651 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -35.71 61.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.468 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 94.0 t -57.33 -39.98 71.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.532 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.5 mt -68.0 -43.56 78.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.721 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.96 -29.5 68.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.291 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.9 t -67.28 -28.6 68.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.461 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.8 mm -71.09 -56.1 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.43 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 16.6 t -51.37 -56.07 15.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.733 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.1 t -51.54 -44.47 62.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.655 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.5 tp -49.79 -51.87 36.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.645 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.405 ' HG ' ' H ' ' A' ' 110' ' ' LEU . 61.6 mt -49.59 -50.67 41.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.654 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 15.7 p -82.85 5.08 22.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.762 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 113' ' ' PRO . 66.0 m-20 -143.45 74.21 17.21 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.608 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.454 ' O ' ' O ' ' A' ' 112' ' ' ASP . 44.2 Cg_exo -53.67 -156.73 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.618 0 C-N-CA 122.871 2.38 . . . . 0.0 112.021 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -166.38 72.16 1.17 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.682 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.92 -30.06 37.75 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.842 2.361 . . . . 0.0 112.23 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' A' ' 117' ' ' ASP . 83.9 m-20 -65.81 -42.3 90.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.705 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 116' ' ' ASP . 84.0 m-20 -141.64 74.81 22.71 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.4 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.494 ' C ' ' H ' ' A' ' 120' ' ' VAL . 74.2 Cg_endo -79.56 -11.62 14.16 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.778 2.319 . . . . 0.0 112.06 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.1 tp 67.86 -9.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.763 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.602 HG22 ' H ' ' A' ' 123' ' ' ILE . 5.9 p -142.17 67.98 21.88 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.218 0.532 . . . . 0.0 110.408 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -43.93 -24.77 0.89 Allowed 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.844 2.363 . . . . 0.0 112.488 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -62.45 -49.99 73.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.556 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.602 ' H ' HG22 ' A' ' 120' ' ' VAL . 90.5 mt -78.12 -32.51 17.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.749 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.05 -40.75 87.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.872 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 45.0 mtp85 -54.79 -32.48 60.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.62 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 130' ' ' ASP . 39.4 mt -77.11 -56.1 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.474 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.569 ' CE1' ' CD ' ' A' ' 131' ' ' ARG . 58.3 t80 -56.12 -31.85 63.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.527 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -53.42 -68.04 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.002 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 27.3 p -99.17 -42.19 7.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.055 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 126' ' ' ILE . 28.4 m-20 -85.36 77.85 9.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.381 . . . . 0.0 110.579 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.569 ' CD ' ' CE1' ' A' ' 127' ' ' TYR . 15.5 tpp85 -88.62 -39.44 14.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.396 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -63.87 -49.01 74.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.685 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -64.93 -43.8 91.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.603 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -48.25 -43.91 32.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.743 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 131' ' ' ARG . 3.9 m120 -53.07 -46.04 68.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.671 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 56.3 ttt-85 -56.95 -40.37 76.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.743 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 9.1 mm -63.88 -35.54 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.661 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' SER . . . . . 0.448 ' O ' ' OG1' ' A' ' 142' ' ' THR . 43.3 m -66.97 -58.93 3.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.674 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -54.84 -52.25 63.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.772 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -51.03 -45.39 61.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.703 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -75.9 -28.25 57.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.584 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 138' ' ' SER . 34.3 m -64.41 -19.16 65.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.766 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.426 ' O ' ' O ' ' A' ' 147' ' ' MET . 37.8 tt0 -76.22 -44.35 38.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.236 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -101.45 -53.37 3.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.756 0.312 . . . . 0.0 111.704 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -74.92 19.35 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -164.05 -2.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.423 -0.511 . . . . 0.0 111.194 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' MET . . . . . 0.426 ' O ' ' O ' ' A' ' 143' ' ' GLN . 46.8 mtt . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.42 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 17.1 ttp . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -114.73 154.9 27.66 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.976 0.417 . . . . 0.0 110.616 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pp -131.18 163.72 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.374 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.613 ' CE1' HG22 ' B' ' 14' ' ' THR . 6.7 m-85 -96.58 142.76 28.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.967 0.413 . . . . 0.0 110.722 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.632 ' O ' HG23 ' B' ' 5' ' ' VAL . 3.8 m -136.95 115.54 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.808 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -95.19 134.38 37.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.956 0.408 . . . . 0.0 111.034 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 15.6 m -89.02 157.07 18.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.582 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 tp -57.3 -18.56 17.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.387 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 18.0 p -91.24 -20.06 22.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.446 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.09 13.46 17.71 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.22 98.45 8.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.74 0.305 . . . . 0.0 110.359 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 11.0 m -95.12 131.41 41.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.784 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 8.4 pt -151.06 147.06 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.413 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.613 HG22 ' CE1' ' B' ' 4' ' ' PHE . 68.1 p -87.32 140.33 29.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.789 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.4 mp -120.29 165.05 15.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.814 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -119.76 117.07 27.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.174 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 12.3 m -137.17 -170.96 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.894 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' B' ' 21' ' ' ASP . 4.9 tt0 -136.06 130.08 18.29 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.002 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -44.37 -34.07 6.94 Favored 'Trans proline' 0 N--CA 1.492 1.412 0 C-N-CA 122.172 1.914 . . . . 0.0 112.252 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.9 m -81.38 -17.07 50.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.551 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' B' ' 18' ' ' GLU . 44.9 t0 -66.87 153.26 43.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.436 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.5 p -91.81 153.36 19.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.76 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.659 ' N ' HD12 ' B' ' 23' ' ' ILE . 2.5 mp -65.1 -9.35 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.356 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -73.09 -29.78 63.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.515 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -82.59 -47.87 11.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.465 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 7.1 p -52.84 -37.52 25.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.402 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.405 ' NZ ' ' OD2' ' B' ' 52' ' ' ASP . 17.4 mttp -57.09 -42.46 80.75 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.351 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.71 -29.58 68.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.631 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -67.85 -44.44 77.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.499 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 83.0 mt -60.16 -31.92 49.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.37 . . . . 0.0 110.138 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.511 ' O ' ' N ' ' B' ' 35' ' ' GLY . 66.6 tt0 -64.34 -54.11 38.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.782 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -62.7 -28.92 70.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.973 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -84.21 -56.71 3.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.917 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.436 ' O ' ' OE1' ' B' ' 34' ' ' GLU . 0.0 OUTLIER -76.94 -37.26 55.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.852 -179.375 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . 100.52 -4.48 56.7 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.51 HG21 HD21 ' B' ' 71' ' ' LEU . 48.1 mt -92.77 132.72 30.6 Favored Pre-proline 0 C--N 1.329 -0.284 0 N-CA-C 110.248 -0.278 . . . . 0.0 110.248 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -68.58 150.14 74.69 Favored 'Trans proline' 0 N--CA 1.494 1.55 0 C-N-CA 121.952 1.768 . . . . 0.0 112.07 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.456 ' C ' ' H ' ' B' ' 40' ' ' GLN . 68.2 Cg_endo -73.12 -27.03 14.3 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 122.82 2.346 . . . . 0.0 112.508 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.437 ' O ' ' OE1' ' B' ' 40' ' ' GLN . 9.0 t70 -54.81 -7.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.747 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.456 ' H ' ' C ' ' B' ' 38' ' ' PRO . 4.1 mp0 -130.12 -1.88 4.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.509 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -126.77 142.5 51.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.9 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.465 ' NH2' ' OE1' ' B' ' 49' ' ' GLN . 9.6 ptm180 -144.3 158.57 43.67 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.473 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.517 ' N ' HD22 ' B' ' 43' ' ' LEU . 3.3 mm? -93.76 143.09 26.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.038 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 22.0 mt -144.15 136.4 22.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.189 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.419 ' O ' ' N ' ' B' ' 48' ' ' LYS . 16.9 t80 -136.78 146.46 45.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.523 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.31 29.14 1.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.687 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.44 28.08 66.46 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' B' ' 45' ' ' PHE . 9.2 mtmp? -135.24 142.96 46.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.811 0.338 . . . . 0.0 110.607 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.465 ' OE1' ' NH2' ' B' ' 42' ' ' ARG . 71.1 mt-30 -82.0 135.42 35.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.637 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.581 ' N ' HD12 ' B' ' 50' ' ' LEU . 9.8 mp -90.14 140.75 29.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.43 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -78.34 143.49 36.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.491 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.2 OUTLIER -71.64 -27.47 63.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.789 -179.854 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.26 -15.65 73.71 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.608 -0.597 . . . . 0.0 111.608 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 6.4 mmt-85 -76.9 177.03 8.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.502 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 42.4 p -131.8 146.95 52.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.174 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.543 ' O ' ' N ' ' B' ' 60' ' ' ASN . 6.7 mp -49.74 -23.11 1.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.113 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 12.0 t -57.52 -36.98 72.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.217 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -74.56 -45.01 48.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.274 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' B' ' 61' ' ' ILE . 56.6 m-85 -82.84 -1.51 52.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.302 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' B' ' 56' ' ' LEU . 50.2 t-20 61.28 -79.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.908 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' B' ' 59' ' ' TYR . 1.3 mt 50.57 98.8 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.5 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -70.73 -177.21 1.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.487 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -73.31 158.44 35.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.45 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 54.98 36.77 27.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.544 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.414 ' O ' ' O ' ' B' ' 4' ' ' PHE . 89.9 p -87.64 148.96 24.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.567 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 11.6 m -107.97 111.11 23.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.501 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.418 HD13 HD12 ' B' ' 43' ' ' LEU . 83.6 mt -90.91 151.76 20.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.442 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -97.45 103.13 15.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.491 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.417 HD11 ' HB ' ' B' ' 5' ' ' VAL . 14.7 mt -89.16 141.48 28.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.442 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 22.2 m -133.36 150.31 32.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.283 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.51 HD21 HG21 ' B' ' 36' ' ' ILE . 12.7 mt -111.89 139.06 47.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.644 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 34.1 mtm105 -112.94 85.89 2.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.232 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.592 ' N ' HD12 ' B' ' 73' ' ' LEU . 7.0 mp -62.84 167.05 4.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.677 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 52.9 ttp85 -44.06 102.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.646 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -105.9 132.1 10.96 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.708 0 CA-C-O 117.976 -1.458 . . . . 0.0 110.939 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.594 ' N ' ' CE2' ' A' ' 60' ' ' TYR . . . . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.616 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.1 tt -49.91 -34.12 19.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.515 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -74.81 -53.19 9.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.6 mtt85 -61.43 -50.37 73.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.791 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.407 HD13 ' O ' ' A' ' 30' ' ' MET . 97.3 mt -52.99 -39.0 30.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.732 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.434 ' O ' ' OD1' ' A' ' 7' ' ' ASN . 36.3 t-20 -63.27 -23.78 67.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.973 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.581 ' HZ3' ' HB3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -67.51 -35.61 79.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.622 -179.837 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -70.82 -23.97 62.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.52 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.63 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -71.03 -34.12 71.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.407 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.7 t -59.98 -35.45 75.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.709 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 12' ' ' ASP . 40.4 t0 -83.05 -22.05 33.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.624 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 tp -83.57 -52.57 6.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.66 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.98 -41.13 70.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.816 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.0 ttt85 -79.33 -46.71 17.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.804 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -121.3 79.12 35.79 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.647 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -79.16 161.15 26.37 Favored 'Trans proline' 0 C--N 1.309 -1.526 0 C-N-CA 122.613 2.209 . . . . 0.0 112.084 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.38 135.04 38.1 Favored 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 122.689 2.26 . . . . 0.0 112.165 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.1 -52.05 11.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.798 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.472 ' CG ' ' N ' ' A' ' 21' ' ' CYS . 4.6 pt20 -85.98 -54.49 4.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.674 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.472 ' N ' ' CG ' ' A' ' 20' ' ' GLN . 22.6 m -71.62 165.9 22.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.432 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.5 t -140.25 127.2 20.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.655 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -142.24 153.96 44.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.399 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -165.15 110.05 0.39 Allowed Glycine 0 CA--C 1.531 1.061 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -49.87 146.26 16.75 Favored 'Trans proline' 0 N--CA 1.493 1.468 0 C-N-CA 122.129 1.886 . . . . 0.0 111.944 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.426 ' O ' ' O ' ' A' ' 27' ' ' GLY . 44.5 t -100.92 151.95 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.509 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 26' ' ' VAL . . . -55.7 -161.47 0.02 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 29' ' ' ASP . 72.6 m-20 54.81 71.25 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 110.588 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 28' ' ' ASP . 3.2 m-20 59.76 143.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.609 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.407 ' O ' HD13 ' A' ' 6' ' ' ILE . 4.1 mtp -79.24 67.98 5.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.623 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -125.4 -27.15 3.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.205 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -104.36 120.72 41.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.235 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -116.97 156.6 27.17 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.4 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -124.57 156.26 37.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.389 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -155.56 158.94 39.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.892 0.377 . . . . 0.0 110.779 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.6 m -146.2 155.09 42.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.561 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 pt -145.01 155.09 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.31 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.2 ttt -122.16 126.7 48.89 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.752 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.37 104.31 0.04 OUTLIER Glycine 0 CA--C 1.531 1.046 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -47.81 169.37 0.07 OUTLIER 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.217 1.945 . . . . 0.0 112.095 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -80.74 -173.27 4.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.64 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.2 t70 50.47 33.62 8.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.648 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 p -157.12 151.44 20.14 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -69.52 -11.84 32.03 Favored 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 122.429 2.086 . . . . 0.0 111.897 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -73.98 -19.75 60.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.571 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -65.17 116.89 7.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.528 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 138.62 10.95 0.88 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -151.94 166.8 31.01 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 49' ' ' VAL . 35.9 m -127.88 125.87 65.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.882 0.372 . . . . 0.0 110.484 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -95.37 179.92 5.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.386 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -140.11 129.23 23.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.552 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.2 tt -130.36 158.76 38.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.225 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.8 m -145.72 132.21 19.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.899 0.38 . . . . 0.0 110.82 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.536 HD13 HD11 ' A' ' 99' ' ' ILE . 1.7 mp -98.57 133.09 42.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.135 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -113.56 115.48 28.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.86 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -85.64 126.87 65.1 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.178 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.499 ' C ' ' H ' ' A' ' 59' ' ' ASP . 87.4 Cg_endo -80.97 140.31 12.55 Favored 'Trans proline' 0 C--N 1.312 -1.372 0 C-N-CA 122.353 2.035 . . . . 0.0 112.097 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 43.6 p -52.29 -9.89 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.024 0.44 . . . . 0.0 109.892 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.499 ' H ' ' C ' ' A' ' 57' ' ' PRO . 5.2 t0 -83.99 23.72 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.48 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.594 ' CE2' ' N ' ' A' ' 2' ' ' ALA . 54.9 m-85 67.35 154.36 0.13 Allowed Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.984 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.573 ' O ' ' N ' ' A' ' 63' ' ' LYS . 32.5 Cg_exo -54.88 -44.28 51.23 Favored 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 122.865 2.377 . . . . 0.0 113.709 -179.298 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.442 ' HA ' ' HE1' ' A' ' 93' ' ' TRP . 1.3 p90 -44.83 -11.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.343 -178.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.573 ' N ' ' O ' ' A' ' 61' ' ' PRO . 18.3 mmtt -98.92 142.57 24.83 Favored Pre-proline 0 CA--C 1.533 0.294 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.335 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -52.6 116.91 3.18 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.116 1.878 . . . . 0.0 111.868 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -80.36 172.15 13.99 Favored 'Trans proline' 0 C--N 1.312 -1.35 0 C-N-CA 122.43 2.087 . . . . 0.0 112.187 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -106.76 96.34 6.37 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.576 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.1 p -93.13 148.06 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.368 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -155.24 150.93 27.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.883 0.373 . . . . 0.0 110.8 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.73 120.24 26.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.221 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.7 m -77.01 -28.41 54.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.67 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.8 m -106.44 114.49 28.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.671 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -49.99 145.48 5.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.253 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.5 tt -153.3 138.77 11.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.71 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -84.93 92.9 8.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.11 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -146.19 142.16 17.31 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.164 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -69.93 -27.38 25.73 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.281 1.987 . . . . 0.0 111.894 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -82.41 -27.0 32.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.316 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 23.0 mm -105.56 131.4 55.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.262 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.454 HD22 HG22 ' A' ' 120' ' ' VAL . 6.9 t-20 -92.14 172.54 8.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.798 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.2 m -85.43 -23.59 27.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.384 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -76.11 -15.42 60.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.575 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.452 ' O ' HD12 ' A' ' 84' ' ' ILE . . . 104.1 10.39 34.49 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.1 p -86.47 127.85 34.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.71 0.291 . . . . 0.0 110.426 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.452 HD12 ' O ' ' A' ' 82' ' ' GLY . 5.0 mp -125.63 145.78 32.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.642 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 21.8 t -97.73 112.97 24.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.27 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.3 mp -133.86 128.43 34.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.688 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -69.14 -47.99 63.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.415 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.409 ' H ' HG13 ' A' ' 88' ' ' ILE . 2.4 pp -55.62 -13.24 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.692 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.8 -12.32 22.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.756 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.433 ' CG ' ' N ' ' A' ' 91' ' ' SER . 6.8 ttp180 -80.63 -110.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.696 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.483 ' C ' ' H ' ' A' ' 93' ' ' TRP . 15.0 p -93.12 -20.23 20.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.657 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -75.64 25.94 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.558 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.483 ' H ' ' C ' ' A' ' 91' ' ' SER . 75.2 t-105 -82.23 102.94 11.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.407 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 96' ' ' ALA . 1.4 m -82.11 119.58 75.36 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.475 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -46.6 -7.14 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.433 2.088 . . . . 0.0 112.708 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.526 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -144.1 63.67 1.33 Allowed 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.351 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.422 ' H ' ' HG ' ' A' ' 97' ' ' LEU . 2.7 pp -104.22 152.06 22.63 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.326 179.238 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.6 m -76.52 135.96 39.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.525 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.536 HD11 HD13 ' A' ' 54' ' ' ILE . 5.3 tp -51.21 -39.5 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.583 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.471 ' N ' HG23 ' A' ' 99' ' ' ILE . 8.2 t -69.78 -12.94 62.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.877 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -62.25 -45.5 93.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.686 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.441 ' H ' HG12 ' A' ' 102' ' ' VAL . 2.1 p -73.01 -33.94 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.665 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 42.8 mt -63.92 -39.22 93.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.814 0.34 . . . . 0.0 110.431 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.2 mt -68.18 -40.92 82.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.61 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 59.6 m -51.38 -39.51 57.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.635 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.4 mt -67.21 -43.64 88.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.662 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 46.2 t -50.96 -53.43 33.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.638 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 52.9 p -53.07 -24.87 10.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.695 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.511 HD13 ' O ' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -73.38 -52.11 14.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.513 -179.841 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.504 HD12 ' N ' ' A' ' 110' ' ' LEU . 10.7 mp -58.38 -40.26 81.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.622 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 12.2 t -74.16 -48.29 30.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.609 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 113' ' ' PRO . 12.5 t70 -113.23 96.43 39.17 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.572 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 112' ' ' ASP . 70.4 Cg_exo -48.76 -174.97 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.427 2.084 . . . . 0.0 112.068 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -156.73 84.74 3.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.699 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -78.67 2.04 8.53 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.476 2.117 . . . . 0.0 112.02 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -81.47 106.04 13.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.377 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.408 ' N ' ' HD3' ' A' ' 118' ' ' PRO . 42.3 t0 43.41 65.74 5.28 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.636 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 117' ' ' ASP . 34.1 Cg_exo -58.01 -146.2 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.711 2.274 . . . . 0.0 112.073 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.2 tp -132.91 -25.64 1.82 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.25 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.454 HG22 HD22 ' A' ' 79' ' ' ASN . 3.2 t -122.43 80.12 46.13 Favored Pre-proline 0 C--N 1.332 -0.192 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.319 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -46.48 -32.29 11.07 Favored 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.734 2.29 . . . . 0.0 112.432 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -61.98 -47.62 84.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.012 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 70.8 mt -77.05 -35.02 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.065 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.15 -40.39 86.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.338 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -54.75 -31.95 59.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.74 0.305 . . . . 0.0 110.848 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.527 ' O ' ' N ' ' A' ' 130' ' ' ASP . 43.5 mt -70.82 -51.31 37.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.872 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 127' ' ' TYR . 25.9 t80 -71.22 -31.87 68.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.152 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -64.58 -30.82 71.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.544 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 35.3 p -117.99 -42.31 2.83 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.701 0.286 . . . . 0.0 111.244 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 126' ' ' ILE . 0.9 OUTLIER -106.34 109.22 21.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.807 -179.641 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 33.8 mmm-85 -93.76 -44.57 8.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.637 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -60.87 -49.01 79.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.653 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 32.9 tttm -61.48 -28.94 69.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.577 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -75.97 -27.92 57.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.586 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -63.26 -46.02 88.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.019 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.434 ' HG3' ' H ' ' A' ' 137' ' ' ILE . 11.0 ptp180 -64.64 -49.94 69.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.071 -179.482 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.434 ' H ' ' HG3' ' A' ' 136' ' ' ARG . 20.4 mt -61.16 -48.76 87.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.709 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 92.5 p -45.92 -46.41 16.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.495 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 32.8 ttm-85 -79.18 -33.24 44.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.704 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -62.56 -38.14 88.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.583 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -84.13 -13.57 52.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.62 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.648 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 92.9 m -69.91 -60.31 2.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.82 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -61.65 -31.52 71.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.862 0.363 . . . . 0.0 110.911 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -59.29 -37.3 77.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.028 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -125.98 -33.41 2.68 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.86 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.648 ' HB3' ' O ' ' A' ' 142' ' ' THR . . . -66.81 -71.04 0.21 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.727 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 14.6 mtt . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.565 179.933 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.559 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -153.12 145.8 24.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.278 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.756 HD13 ' H ' ' B' ' 3' ' ' ILE . 0.1 OUTLIER -148.45 148.11 16.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.483 179.709 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -93.78 120.57 34.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.508 ' O ' HG23 ' B' ' 5' ' ' VAL . 10.5 m -102.19 126.25 56.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.754 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -112.64 118.59 35.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.661 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.516 HG22 ' N ' ' B' ' 8' ' ' LEU . 47.6 m -94.67 161.89 14.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.375 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.516 ' N ' HG22 ' B' ' 7' ' ' THR . 2.2 tp -59.02 -16.66 19.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.473 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 65.1 p -83.28 1.74 39.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.588 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.12 -3.1 85.63 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -65.13 123.08 18.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.776 0.322 . . . . 0.0 110.518 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 60.8 m -130.02 121.07 25.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.561 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 7.5 pt -150.99 147.1 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.66 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.73 123.95 30.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.417 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.0 mp -98.35 138.05 36.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.301 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -91.37 113.69 26.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.182 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' B' ' 1' ' ' MET . 7.2 p -150.08 145.43 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.768 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -80.0 150.18 71.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.38 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.29 -15.55 46.14 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.629 2.219 . . . . 0.0 112.229 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.1 m -95.52 -14.99 23.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.623 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -56.99 165.01 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.449 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.475 HG23 ' O ' ' B' ' 54' ' ' ARG . 3.1 m -116.53 140.77 49.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.682 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 30.7 mm -45.33 -39.06 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -48.94 -38.14 22.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.576 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -85.11 -45.67 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.779 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.591 ' HA ' ' HZ2' ' B' ' 29' ' ' LYS . 11.9 t -53.0 -48.86 51.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.69 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -50.88 -41.68 58.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.523 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.28 -27.82 66.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.194 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.591 ' HZ2' ' HA ' ' B' ' 26' ' ' VAL . 1.6 ttmp? -73.75 -54.35 8.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.305 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 14.6 tt -59.3 -32.0 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.796 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -59.92 -53.75 54.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.591 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.34 -29.93 61.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.678 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.2 tttp -53.93 -66.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.783 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -82.45 -34.8 27.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.755 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.48 52.29 0.72 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 62.0 mt -128.08 112.27 20.07 Favored Pre-proline 0 C--N 1.33 -0.247 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.34 156.04 6.18 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 122.032 1.821 . . . . 0.0 112.162 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -69.87 -7.88 22.2 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.838 2.359 . . . . 0.0 112.428 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -67.39 -16.78 64.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.861 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -130.23 -10.23 4.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.078 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -65.63 117.97 8.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 110.631 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -145.17 115.98 7.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.404 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.604 HD12 ' N ' ' B' ' 43' ' ' LEU . 9.4 mp -87.78 136.68 32.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.759 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' B' ' 44' ' ' ILE . 6.8 tp -136.01 141.5 41.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.652 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -147.88 112.33 5.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.461 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.9 31.94 21.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.508 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.93 -8.1 52.2 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -87.97 116.88 26.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.769 0.319 . . . . 0.0 110.503 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -72.65 127.5 32.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.417 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 11.1 mp -76.04 101.27 5.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.371 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -51.55 157.25 1.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.592 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -79.16 -25.4 42.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -103.16 49.23 0.97 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.526 -0.63 . . . . 0.0 111.526 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.475 ' O ' HG23 ' B' ' 22' ' ' THR . 13.1 mmt85 -143.12 169.38 17.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.835 0.35 . . . . 0.0 110.278 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.527 ' O ' ' CZ ' ' B' ' 59' ' ' TYR . 62.0 p -120.38 172.58 7.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.347 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.566 ' N ' HD12 ' B' ' 56' ' ' LEU . 10.0 mp -74.32 -18.76 60.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.379 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.9 p -73.94 -29.04 61.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.571 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.435 ' OD1' ' OG1' ' B' ' 55' ' ' THR . 1.1 m-20 -59.23 -45.11 92.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.625 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.527 ' CZ ' ' O ' ' B' ' 55' ' ' THR . 0.0 OUTLIER -90.81 4.22 52.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.276 179.783 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ASN . . . . . 0.427 ' O ' ' O ' ' B' ' 61' ' ' ILE . 5.1 t30 75.09 -71.64 0.12 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.676 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.427 ' O ' ' O ' ' B' ' 60' ' ' ASN . 27.0 mm 57.04 157.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.537 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.412 ' N ' HG22 ' B' ' 61' ' ' ILE . 84.0 mt-30 -127.15 175.35 8.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.463 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -68.37 148.56 50.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.576 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 54.9 24.38 5.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.507 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 11.7 p -60.69 136.99 58.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.672 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 17.2 m -89.42 108.94 19.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.664 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.49 ' N ' HD12 ' B' ' 67' ' ' LEU . 10.9 mp -98.79 144.04 28.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.3 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.424 ' O ' HD22 ' B' ' 69' ' ' LEU . 21.8 m170 -99.35 141.01 32.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.308 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.424 HD22 ' O ' ' B' ' 68' ' ' HIS . 0.9 OUTLIER -123.44 142.04 51.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.385 -179.735 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 70' ' ' VAL . 34.6 m -142.34 124.53 13.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.557 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.548 ' N ' HD12 ' B' ' 71' ' ' LEU . 10.2 mp -84.42 133.58 34.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.475 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -83.5 108.49 16.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.568 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.435 HD12 ' O ' ' B' ' 71' ' ' LEU . 4.5 mp -93.82 132.11 38.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.388 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -159.92 130.64 5.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.527 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.08 176.15 49.34 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.732 0 CA-C-O 117.961 -1.466 . . . . 0.0 110.921 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.694 HD12 ' N ' ' A' ' 3' ' ' LEU . 5.9 mp -66.17 -28.1 68.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.442 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.0 mttm -61.25 -49.3 77.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.674 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -38.81 82.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.553 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.0 mt -67.5 -48.53 76.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.675 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -53.32 -24.17 11.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.648 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -69.14 -34.0 74.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.572 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -60.49 -29.01 68.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.574 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.583 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -65.74 -29.92 70.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.457 -179.883 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.5 m -66.13 -27.01 67.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.666 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -73.08 -31.29 64.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.653 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.6 mt -75.11 -20.67 59.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.13 -17.38 46.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.695 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -84.21 -86.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.798 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -117.56 84.74 19.61 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.68 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -49.45 156.66 2.62 Favored 'Trans proline' 0 C--N 1.308 -1.562 0 C-N-CA 122.497 2.131 . . . . 0.0 111.917 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.402 ' C ' ' HZ1' ' B' ' 6' ' ' LYS . 55.6 Cg_endo -71.15 140.2 37.05 Favored 'Trans proline' 0 C--N 1.309 -1.532 0 C-N-CA 122.599 2.199 . . . . 0.0 112.114 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.05 -52.07 11.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.637 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -99.14 -34.99 10.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.708 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.436 ' O ' ' OG ' ' A' ' 22' ' ' SER . 0.1 OUTLIER -76.2 175.32 9.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.484 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' A' ' 21' ' ' CYS . 3.6 m -168.17 95.23 0.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.367 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.36 160.84 25.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.72 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.52 158.75 14.96 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -73.44 131.96 16.98 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.582 2.188 . . . . 0.0 112.165 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.1 m -130.19 93.79 2.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.496 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 143.51 165.12 10.63 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -74.74 2.43 10.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 0.0 110.428 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -133.12 128.34 35.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.372 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.3 mtp -74.48 6.61 3.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.666 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.646 ' CZ ' HD11 ' A' ' 3' ' ' LEU . 39.0 m-85 -78.29 7.34 6.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.287 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -147.97 120.91 8.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.617 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -118.06 177.22 4.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.072 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -143.44 157.81 44.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.368 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -162.28 149.19 13.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.464 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.5 p -144.19 152.16 40.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.978 0.418 . . . . 0.0 110.747 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.419 ' CG2' ' SG ' ' A' ' 21' ' ' CYS . 5.8 pt -151.5 128.28 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.386 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.607 ' SD ' ' N ' ' A' ' 39' ' ' GLY . 1.1 tmm? -86.5 141.66 28.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.403 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.607 ' N ' ' SD ' ' A' ' 38' ' ' MET . . . -39.3 110.18 0.14 Allowed Glycine 0 CA--C 1.531 1.087 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -43.94 155.32 0.22 Allowed 'Trans proline' 0 N--CA 1.491 1.382 0 C-N-CA 122.214 1.943 . . . . 0.0 112.2 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -81.63 163.18 22.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.628 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.418 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 10.5 t70 61.88 32.33 18.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.745 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.6 t -157.05 145.65 14.61 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.538 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.514 ' O ' ' N ' ' A' ' 46' ' ' GLN . 80.3 Cg_exo -38.87 -43.91 2.29 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 C-N-CA 122.637 2.225 . . . . 0.0 112.397 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -44.94 -15.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.833 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' A' ' 44' ' ' PRO . 8.3 mm100 -45.98 117.12 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.403 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.4 58.66 2.53 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -161.63 102.42 0.21 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.493 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 29.3 m -80.39 149.87 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.785 0.326 . . . . 0.0 110.552 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.493 ' CD1' ' O ' ' A' ' 49' ' ' VAL . 46.5 m-85 -145.43 136.27 24.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.55 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -109.88 150.83 27.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.384 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.72 147.62 26.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.36 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.77 167.08 12.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.339 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.431 ' N ' HD12 ' A' ' 54' ' ' ILE . 4.3 mp -137.76 124.37 27.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.597 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -97.59 156.1 16.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.554 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -136.15 105.94 9.5 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.642 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.404 ' O ' ' N ' ' A' ' 60' ' ' TYR . 71.6 Cg_endo -81.16 157.5 20.1 Favored 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 122.279 1.986 . . . . 0.0 111.869 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 34.4 p -48.98 -36.15 16.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 110.408 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -89.26 23.14 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.394 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.565 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 46.9 t80 -43.68 -53.68 11.87 Favored Pre-proline 0 CA--C 1.534 0.347 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.588 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 60' ' ' TYR . 13.5 Cg_endo -55.8 -7.5 1.6 Allowed 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 122.13 1.887 . . . . 0.0 112.369 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -123.2 -37.01 2.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.982 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -109.7 119.23 48.38 Favored Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.691 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -52.3 162.35 2.17 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 122.036 1.824 . . . . 0.0 111.635 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.27 165.22 28.08 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 C-N-CA 122.635 2.223 . . . . 0.0 112.209 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.6 90.36 3.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.315 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.0 t -80.88 134.39 27.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.3 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -141.82 138.98 32.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.368 . . . . 0.0 110.884 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -84.35 110.28 18.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.296 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.442 ' H ' HG23 ' A' ' 70' ' ' THR . 7.7 p -61.71 -20.04 63.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.439 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.2 m -106.74 103.04 12.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.536 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.4 114.78 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.399 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 16.7 tt -116.43 156.7 17.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.562 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -94.22 47.6 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.412 ' O ' ' O ' ' A' ' 78' ' ' ILE . 1.6 t-80 -101.22 116.32 63.99 Favored Pre-proline 0 CA--C 1.532 0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.537 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.494 ' C ' ' H ' ' A' ' 78' ' ' ILE . 75.1 Cg_exo -44.45 -50.04 8.44 Favored 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 122.267 1.978 . . . . 0.0 112.269 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.498 HD22 ' N ' ' A' ' 77' ' ' ASN . 1.3 m-80 -55.73 -4.37 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.771 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.494 ' H ' ' C ' ' A' ' 76' ' ' PRO . 5.2 mp -140.03 130.89 31.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.666 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.42 ' ND2' HG22 ' A' ' 120' ' ' VAL . 3.7 m120 -88.33 -175.81 5.13 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.352 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 84.8 p -79.21 -15.83 57.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.316 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -78.99 -15.21 58.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.479 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 98.61 2.17 57.55 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.7 t -64.74 109.88 2.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.723 0.296 . . . . 0.0 110.6 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 6.2 mt -96.38 132.78 39.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.593 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 43.7 t -87.61 113.2 23.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.557 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.3 mt -135.81 147.3 48.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.435 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -69.08 -52.14 31.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.861 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.719 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -51.87 -39.07 24.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.412 ' O ' ' CD2' ' A' ' 89' ' ' LEU . 1.1 tt -79.92 33.53 0.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.671 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.476 ' HB3' ' H ' ' A' ' 91' ' ' SER . 1.7 tmm_? -148.08 -94.21 0.08 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.348 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.522 ' C ' ' H ' ' A' ' 93' ' ' TRP . 48.9 m -98.56 -44.15 6.58 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.87 0.367 . . . . 0.0 110.973 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -70.23 29.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.181 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.522 ' H ' ' C ' ' A' ' 91' ' ' SER . 63.1 t-105 -78.66 123.5 27.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 0.0 110.479 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.533 ' H ' HD23 ' A' ' 97' ' ' LEU . 2.6 m -135.94 116.58 11.51 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.613 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -54.26 -1.15 0.12 Allowed 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.536 2.157 . . . . 0.0 112.341 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' A' ' 94' ' ' SER . . . -119.45 30.88 6.87 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.442 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.715 ' C ' HD12 ' A' ' 97' ' ' LEU . 3.9 pp -104.15 152.02 22.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.76 0.315 . . . . 0.0 110.306 179.539 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 32.8 m -93.96 150.61 20.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.898 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.548 HG23 ' N ' ' A' ' 100' ' ' SER . 3.4 tp -57.09 -44.61 83.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.496 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.548 ' N ' HG23 ' A' ' 99' ' ' ILE . 4.4 m -53.0 -39.08 62.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.512 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -53.87 -35.74 61.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.409 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 15.7 t -73.09 -51.43 26.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.72 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 43.5 mt -53.6 -42.78 68.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.684 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.3 mp -59.9 -24.94 64.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.379 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.6 m -74.62 -31.82 62.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.621 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 87.4 mt -70.25 -48.67 59.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.568 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 19.5 m -52.18 -37.36 54.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.685 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.0 m -81.96 -25.01 35.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.701 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.7 tp -67.46 -52.02 44.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.682 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.9 mp -54.75 -51.15 66.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.549 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.401 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 61.0 m -69.75 -14.98 63.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.756 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 111' ' ' CYS . 63.2 m-20 -159.6 81.43 2.49 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.762 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -79.27 -161.34 0.15 Allowed 'Trans proline' 0 C--N 1.309 -1.542 0 C-N-CA 122.503 2.136 . . . . 0.0 111.987 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -131.39 75.56 77.1 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.637 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -49.65 -17.84 2.22 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.745 2.297 . . . . 0.0 112.115 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.97 126.56 33.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.572 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 41.63 60.63 8.56 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.676 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -78.56 -162.53 0.18 Allowed 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.809 2.339 . . . . 0.0 112.258 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.5 tp -92.41 -28.07 17.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.478 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.42 HG22 ' ND2' ' A' ' 79' ' ' ASN . 3.9 t -133.92 76.85 64.06 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.566 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -50.36 -17.96 3.17 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.92 2.413 . . . . 0.0 112.404 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -68.92 -52.07 33.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.787 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 19.7 mt -78.35 -25.91 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.566 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.41 -51.71 68.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.309 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -54.84 -35.1 63.61 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.723 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 130' ' ' ASP . 23.7 mt -58.83 -56.29 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 110.399 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -63.88 -31.83 73.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.395 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -59.36 -62.44 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.11 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 78.7 p -98.41 -42.26 7.43 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.307 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 126' ' ' ILE . 8.9 m-20 -93.11 79.15 4.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.798 0.333 . . . . 0.0 110.685 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 21.6 tpt85 -78.88 -43.0 25.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.471 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -56.0 -47.23 78.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.671 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -59.82 -57.19 13.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.744 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.404 ' O ' ' OG ' ' A' ' 138' ' ' SER . 72.4 t80 -48.55 -35.85 14.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.794 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -67.76 -29.88 69.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 49.6 ttp85 -78.12 -50.06 12.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.879 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.613 HD12 ' N ' ' A' ' 137' ' ' ILE . 1.5 mp -69.07 -45.5 79.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.606 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' A' ' 134' ' ' TYR . 85.6 p -55.31 -42.17 73.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.852 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -78.69 -48.36 15.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.929 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -50.86 -41.53 58.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.415 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' TRP . . . . . 0.532 ' O ' ' N ' ' A' ' 145' ' ' TYR . 13.7 m95 -74.36 -44.69 51.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.332 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.549 ' O ' ' N ' ' A' ' 146' ' ' ALA . 99.6 m -52.34 -53.98 37.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.749 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -55.7 -31.75 62.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -94.35 -18.88 21.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.543 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' TYR . . . . . 0.532 ' N ' ' O ' ' A' ' 141' ' ' TRP . 35.1 m-85 -121.59 19.35 11.18 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 121.141 -0.224 . . . . 0.0 111.239 -179.311 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.549 ' N ' ' O ' ' A' ' 142' ' ' THR . . . -153.32 44.91 0.64 Allowed 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 21.6 mmt . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.419 179.862 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.536 ' SD ' ' CG2' ' B' ' 3' ' ' ILE . 11.4 tmm? . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.438 ' OE1' ' O ' ' B' ' 15' ' ' LEU . 3.8 tp-100 -81.41 145.91 30.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.665 ' C ' HD12 ' B' ' 3' ' ' ILE . 2.4 pp -148.02 153.43 11.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.323 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.577 ' CE2' ' CG2' ' B' ' 14' ' ' THR . 24.8 m-85 -106.92 109.88 21.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.443 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.409 HG12 ' H ' ' B' ' 5' ' ' VAL . 1.4 p -95.68 111.52 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.419 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.402 ' HZ1' ' C ' ' A' ' 18' ' ' PRO . 2.5 ttpm? -99.05 115.97 30.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.0 p -96.23 174.26 6.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.807 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.506 ' O ' HD23 ' B' ' 8' ' ' LEU . 0.7 OUTLIER -76.09 -10.6 59.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.44 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 4.0 m -68.01 -5.35 16.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.507 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.22 25.02 60.18 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.411 ' HB3' ' HZ3' ' B' ' 11' ' ' LYS . 0.0 OUTLIER -125.65 145.55 50.11 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.825 0.345 . . . . 0.0 110.401 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -123.69 107.9 11.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.352 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 15.6 tt -116.41 147.1 20.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.526 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.577 ' CG2' ' CE2' ' B' ' 4' ' ' PHE . 21.7 p -96.76 124.89 40.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.438 ' O ' ' OE1' ' B' ' 2' ' ' GLN . 4.1 mm? -108.36 164.03 12.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.167 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' B' ' 16' ' ' GLU . 16.0 mp0 -116.2 120.44 39.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.499 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -147.14 139.19 18.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.573 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -80.83 151.57 70.99 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.202 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.66 -25.1 40.64 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 122.579 2.186 . . . . 0.0 112.247 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.9 m -85.16 -17.15 38.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.802 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -66.86 141.23 57.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.341 . . . . 0.0 110.276 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.463 ' OG1' ' OD1' ' B' ' 25' ' ' ASN . 6.6 p -68.93 172.97 5.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.463 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.796 ' O ' HG12 ' B' ' 26' ' ' VAL . 44.9 mm -70.4 -49.18 55.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.742 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -48.85 -29.56 4.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.258 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.463 ' OD1' ' OG1' ' B' ' 22' ' ' THR . 6.1 m120 -66.93 -50.26 62.92 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 -178.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.796 HG12 ' O ' ' B' ' 23' ' ' ILE . 7.2 p -56.04 -33.62 36.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.917 -179.2 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -64.09 -29.07 70.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.0 0.429 . . . . 0.0 109.864 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.29 -27.85 61.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.768 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -77.39 -52.98 8.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.94 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 96.7 mt -58.4 -52.05 64.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.974 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' B' ' 35' ' ' GLY . 0.0 OUTLIER -56.68 -37.06 70.33 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.619 -179.716 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -74.72 -28.92 60.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.943 0.401 . . . . 0.0 110.204 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 11.5 tptp -76.62 -45.34 30.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.636 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -92.21 -37.06 12.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.694 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . 109.98 -26.35 14.17 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 75.6 mt -61.84 113.51 8.63 Favored Pre-proline 0 C--N 1.329 -0.308 0 C-N-CA 121.352 -0.139 . . . . 0.0 110.631 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -51.42 146.6 24.68 Favored 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 121.991 1.794 . . . . 0.0 111.864 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.51 ' C ' ' H ' ' B' ' 40' ' ' GLN . 48.8 Cg_exo -51.15 -46.27 32.05 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 122.369 2.046 . . . . 0.0 112.27 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -55.67 -2.22 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.445 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.51 ' H ' ' C ' ' B' ' 38' ' ' PRO . 30.2 mt-30 -117.64 -2.14 11.49 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.656 0.265 . . . . 0.0 110.893 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -147.28 127.85 14.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.959 0.409 . . . . 0.0 110.753 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -115.1 155.05 27.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.148 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 mp -110.3 132.22 54.36 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.936 0.398 . . . . 0.0 110.603 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.532 HD12 HG21 ' B' ' 70' ' ' VAL . 82.5 mt -131.14 141.51 45.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.01 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -129.07 122.48 30.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.543 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.69 29.09 18.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.44 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.93 28.06 63.37 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -132.79 131.5 41.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.786 0.327 . . . . 0.0 110.497 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.626 ' CD ' ' H ' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -68.81 133.63 48.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.622 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 71.7 mt -82.78 111.39 18.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.519 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' B' ' 51' ' ' GLU . 0.3 OUTLIER -49.37 124.36 9.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.281 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -56.72 -35.72 68.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.044 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.66 62.77 0.7 Allowed Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 4.7 mmt-85 -152.17 171.19 18.3 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 10.6 p -111.76 147.0 36.6 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.401 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 18.6 mt -60.36 -27.9 67.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.482 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 8.1 t -59.8 -28.99 67.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.521 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -70.14 -45.06 67.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.599 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -70.18 -1.34 9.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.418 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 48.01 56.83 6.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.787 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 mt -94.37 127.83 46.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.581 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -80.85 -171.2 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.629 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.502 ' C ' ' H ' ' B' ' 65' ' ' SER . 0.0 OUTLIER -85.44 164.09 18.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.509 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 60.13 0.23 0.27 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.672 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.502 ' H ' ' C ' ' B' ' 63' ' ' LYS . 10.1 p -45.14 168.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.463 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.93 110.01 14.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.484 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.582 ' N ' HD12 ' B' ' 67' ' ' LEU . 10.0 mp -95.9 143.39 27.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.417 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -101.2 132.67 46.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.504 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 12.2 tp -111.3 110.59 21.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.635 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.532 HG21 HD12 ' B' ' 44' ' ' ILE . 0.5 OUTLIER -104.37 160.99 4.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.338 179.852 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.566 ' N ' HD12 ' B' ' 71' ' ' LEU . 10.1 mp -93.73 132.43 38.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.636 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -115.76 131.19 57.01 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.421 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.416 ' N ' HD12 ' B' ' 73' ' ' LEU . 1.2 mp -132.03 156.78 45.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.598 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 74.85 135.59 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.458 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.87 -134.82 12.09 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.741 0 CA-C-O 117.979 -1.456 . . . . 0.0 110.857 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.1 mt -51.58 -36.89 47.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.695 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -60.06 -44.69 94.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.714 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.4 mtt-85 -74.97 -43.81 51.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.679 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 90.3 mt -58.86 -44.22 90.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.681 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -62.4 -31.53 72.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.679 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -60.97 -34.07 74.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.526 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -62.51 -30.65 71.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.58 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.556 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -74.23 -21.64 59.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.576 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.8 m -65.12 -51.05 63.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 12' ' ' ASP . 35.8 t0 -75.15 -22.02 58.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.69 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 tp -83.97 -19.43 34.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.671 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.61 -32.7 25.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.777 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.404 HH11 ' HG2' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -79.31 -88.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.574 -179.655 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -113.89 88.88 15.04 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.691 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -80.41 163.96 21.68 Favored 'Trans proline' 0 C--N 1.309 -1.502 0 C-N-CA 122.459 2.106 . . . . 0.0 111.95 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -51.58 127.84 24.01 Favored 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 122.403 2.069 . . . . 0.0 112.061 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.25 -35.34 61.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.686 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -85.57 -44.87 12.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.831 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.2 t -95.49 169.68 9.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.889 0.376 . . . . 0.0 110.617 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.2 m -139.08 155.1 48.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.272 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.99 176.15 3.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.749 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.48 138.24 2.77 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -45.02 146.28 2.61 Favored 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 122.294 1.996 . . . . 0.0 111.978 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.4 t -100.38 93.99 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.331 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.476 ' C ' ' H ' ' A' ' 29' ' ' ASP . . . 86.36 172.7 48.77 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 39.9 t0 -71.87 13.61 0.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.809 0.338 . . . . 0.0 110.593 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.476 ' H ' ' C ' ' A' ' 27' ' ' GLY . 16.5 t70 -107.34 101.91 11.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.549 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.546 ' C ' ' H ' ' A' ' 32' ' ' HIS . 0.1 OUTLIER -55.99 -161.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.129 179.873 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 58.02 0.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.658 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.546 ' H ' ' C ' ' A' ' 30' ' ' MET . 11.1 t-160 -128.12 120.91 28.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.351 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 21.7 m95 -127.81 171.3 11.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.532 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -141.23 157.84 44.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.452 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.728 ' HB2' HD11 ' A' ' 54' ' ' ILE . . . -147.63 157.77 43.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.693 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.3 m -145.96 145.92 30.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.436 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mt -146.61 160.15 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.485 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.463 ' O ' ' C ' ' A' ' 39' ' ' GLY . 0.8 OUTLIER -131.0 129.92 42.69 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.479 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 38' ' ' MET . . . -31.0 96.76 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -50.29 144.68 22.9 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 122.356 2.037 . . . . 0.0 112.088 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 10.6 t-20 -56.52 166.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.478 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.461 ' N ' ' OD1' ' A' ' 41' ' ' ASN . 2.5 m-20 58.12 40.97 24.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.459 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.77 149.25 21.82 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.25 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -69.83 0.6 5.47 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.485 2.123 . . . . 0.0 112.264 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.545 ' OH ' ' CD2' ' A' ' 75' ' ' HIS . 30.8 m-85 -90.07 -5.74 56.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.684 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.453 ' OE1' ' N ' ' A' ' 42' ' ' ASP . 26.4 mt-30 -55.83 116.88 3.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.487 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 141.03 -75.5 0.34 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -78.94 171.94 55.19 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.1 t -123.57 147.01 28.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.73 0.3 . . . . 0.0 110.464 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 37.6 m-85 -109.36 170.86 7.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -140.0 153.09 46.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.382 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.965 HD23 ' N ' ' A' ' 53' ' ' THR . 7.6 tt -149.87 156.71 42.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.406 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.965 ' N ' HD23 ' A' ' 52' ' ' LEU . 2.3 m -137.86 131.26 30.78 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.636 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.885 ' H ' HD12 ' A' ' 54' ' ' ILE . 0.7 OUTLIER -101.62 122.12 53.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.548 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -107.88 144.25 35.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.705 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -115.82 128.39 26.01 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.145 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.491 ' C ' ' H ' ' A' ' 59' ' ' ASP . 93.1 Cg_endo -81.28 135.54 9.6 Favored 'Trans proline' 0 N--CA 1.491 1.325 0 C-N-CA 122.297 1.998 . . . . 0.0 112.106 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.421 HG23 ' H ' ' A' ' 58' ' ' THR . 3.9 p -50.26 -11.48 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.222 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.491 ' H ' ' C ' ' A' ' 57' ' ' PRO . 1.2 m-20 -81.26 23.74 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.567 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.491 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 77.2 m-85 75.65 149.2 0.12 Allowed Pre-proline 0 N--CA 1.463 0.182 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.569 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.521 ' O ' ' N ' ' A' ' 63' ' ' LYS . 50.7 Cg_endo -69.11 -30.39 25.38 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.686 2.257 . . . . 0.0 113.841 -179.041 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 62' ' ' PHE . 2.8 p90 -46.61 -13.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.438 -179.315 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.521 ' N ' ' O ' ' A' ' 61' ' ' PRO . 26.6 mtpt -92.05 154.5 43.37 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.86 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.82 107.67 0.27 Allowed 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.656 2.237 . . . . 0.0 111.908 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.476 ' CD ' ' CZ3' ' A' ' 93' ' ' TRP . 31.5 Cg_exo -55.48 172.13 0.52 Allowed 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.32 2.014 . . . . 0.0 112.267 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.31 82.89 1.71 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.346 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.549 HG23 HD21 ' A' ' 52' ' ' LEU . 3.7 p -86.27 148.07 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.506 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -151.02 135.87 17.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.787 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.451 ' HB2' HD11 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -87.87 106.65 18.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.009 179.735 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -40.01 92.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.691 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.639 HG22 ' N ' ' A' ' 72' ' ' ARG . 93.8 m -86.48 166.58 15.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.577 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.639 ' N ' HG22 ' A' ' 71' ' ' THR . 0.0 OUTLIER -96.51 145.34 25.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.124 179.814 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.1 tt -153.1 136.53 7.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.577 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -93.2 88.19 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.578 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.545 ' CD2' ' OH ' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -138.08 144.94 45.62 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.036 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.403 ' HD2' ' HD1' ' A' ' 75' ' ' HIS . 48.6 Cg_endo -69.88 -24.16 29.43 Favored 'Trans proline' 0 C--N 1.31 -1.468 0 C-N-CA 122.431 2.088 . . . . 0.0 111.816 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -90.69 -17.27 27.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.58 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 48.4 mt -130.32 120.39 48.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.54 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.499 ' ND2' ' H ' ' A' ' 80' ' ' SER . 4.5 t-20 -79.98 159.59 26.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.64 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.499 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 39.7 m -66.91 -21.31 65.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.581 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -72.86 -1.13 15.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.468 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.82 35.09 20.1 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.9 m -96.44 104.77 16.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.759 0.314 . . . . 0.0 110.562 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.801 HD12 ' N ' ' A' ' 84' ' ' ILE . 2.0 mp -91.84 134.36 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.23 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.526 ' SG ' HD13 ' A' ' 119' ' ' LEU . 56.9 m -127.22 126.04 42.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.598 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.1 mt -143.39 163.34 33.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.297 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -69.03 -52.22 30.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.761 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.72 HD12 ' N ' ' A' ' 89' ' ' LEU . 2.8 pp -59.32 -16.79 10.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.747 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.72 ' N ' HD12 ' A' ' 88' ' ' ILE . 2.7 tp -80.84 -12.87 59.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.938 0.399 . . . . 0.0 110.162 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.7 tpt85 -95.87 -130.22 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.472 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.495 ' C ' ' H ' ' A' ' 93' ' ' TRP . 25.7 t -78.81 -17.95 54.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.727 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -72.65 16.32 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.38 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.64 ' CD1' ' N ' ' A' ' 94' ' ' SER . 29.5 t-105 -76.72 157.4 31.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.543 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.64 ' N ' ' CD1' ' A' ' 93' ' ' TRP . 4.6 m -139.68 121.87 10.04 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.302 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -45.77 -9.87 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 122.029 1.82 . . . . 0.0 112.012 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.548 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -110.2 23.01 14.86 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.506 HD23 ' N ' ' A' ' 98' ' ' THR . 2.7 tt -79.89 115.82 19.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.415 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.506 ' N ' HD23 ' A' ' 97' ' ' LEU . 5.3 t -81.95 -171.94 3.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.461 ' N ' ' OG1' ' A' ' 98' ' ' THR . 8.5 mm -92.12 -43.71 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.49 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.1 m -52.91 -18.95 2.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.968 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -82.06 -51.1 8.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.916 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 24.5 t -54.82 -51.45 52.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.734 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.42 ' N ' HD12 ' A' ' 103' ' ' LEU . 8.4 mp -53.08 -50.1 65.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.605 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.536 HD13 ' O ' ' A' ' 104' ' ' LEU . 0.2 OUTLIER -64.15 -45.11 89.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.349 -179.839 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.1 t -48.95 -49.51 40.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.57 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.15 -47.12 95.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.563 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.3 t -55.58 -31.74 62.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.578 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.5 p -71.62 -31.27 66.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.648 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.465 HD22 ' HA ' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -62.31 -49.69 74.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.364 -179.841 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 17.2 mt -63.49 -37.03 85.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.615 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 16.2 t -65.94 -30.51 71.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -145.76 80.15 10.75 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.617 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -79.19 115.34 3.48 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 122.66 2.24 . . . . 0.0 112.197 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -107.79 109.99 62.39 Favored Pre-proline 0 CA--C 1.532 0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.569 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -78.86 37.58 0.67 Allowed 'Trans proline' 0 N--CA 1.491 1.344 0 C-N-CA 122.34 2.027 . . . . 0.0 111.879 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -82.96 -34.15 26.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.738 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -142.01 60.42 10.86 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.803 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -78.86 -174.19 2.18 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.841 2.36 . . . . 0.0 111.951 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.526 HD13 ' SG ' ' A' ' 85' ' ' CYS . 0.2 OUTLIER -134.54 12.86 3.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.349 179.782 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.0 t -138.45 67.63 45.38 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.252 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -44.71 -20.58 0.37 Allowed 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.874 2.382 . . . . 0.0 112.345 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -69.99 -46.97 64.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.586 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 85.2 mt -77.97 -46.28 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.805 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.98 -44.87 60.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.717 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -54.98 -52.08 64.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.678 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' A' ' 130' ' ' ASP . 57.0 mt -57.81 -56.18 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.581 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -55.36 -31.92 62.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.79 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -68.15 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 48.6 p -76.62 -42.22 43.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.219 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' A' ' 126' ' ' ILE . 36.6 m-20 -101.63 94.91 6.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.711 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 5.3 tpt85 -88.03 -30.86 19.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.624 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -74.12 -49.13 25.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.995 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -59.65 -57.23 13.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.728 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.467 ' C ' ' CD1' ' A' ' 134' ' ' TYR . 18.2 t80 -48.55 -44.2 36.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.632 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -54.47 -31.01 54.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.793 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 36.2 ttt85 -76.78 -48.76 17.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.817 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.442 ' N ' HD13 ' A' ' 137' ' ' ILE . 4.4 mm -56.92 -44.48 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.638 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 90.2 p -47.77 -53.09 16.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.055 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.405 HH11 ' NH2' ' B' ' 74' ' ' ARG . 14.1 ptt180 -78.78 -33.18 46.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.22 -179.386 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -50.83 -47.04 60.2 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.796 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' TRP . . . . . 0.443 ' CE3' ' CE2' ' A' ' 145' ' ' TYR . 27.7 m95 -74.17 -42.12 60.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.639 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.562 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 22.9 m -58.5 -18.61 30.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.955 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -75.94 -37.59 58.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.86 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -101.27 -18.94 15.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.205 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' TYR . . . . . 0.443 ' CE2' ' CE3' ' A' ' 141' ' ' TRP . 71.7 m-85 -109.26 19.26 19.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.6 -179.129 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 142' ' ' THR . . . -166.53 5.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.666 -0.413 . . . . 0.0 110.821 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 14.3 mtm . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.396 179.867 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.44 ' N ' ' O ' ' B' ' 17' ' ' VAL . 5.2 ptt? . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -84.96 134.33 34.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.686 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.8 pt -132.34 160.97 42.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.414 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -96.98 133.08 42.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.458 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 59.6 t -123.32 103.0 12.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.528 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -85.54 130.02 34.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.46 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.532 ' OG1' ' N ' ' B' ' 11' ' ' LYS . 35.5 p -86.99 176.62 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.874 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.408 ' O ' HD23 ' B' ' 8' ' ' LEU . 3.2 tt -75.03 -39.17 61.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.047 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.2 p -69.33 -18.29 63.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.647 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.98 -8.18 21.43 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.532 ' N ' ' OG1' ' B' ' 7' ' ' THR . 1.2 tmtp? -63.73 134.19 54.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.718 0.294 . . . . 0.0 110.346 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 60.5 m -127.74 131.61 49.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.783 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 9.0 pt -148.43 147.18 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.45 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 32.1 p -74.56 142.72 44.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.52 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 tp -127.55 134.97 49.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.312 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -88.4 119.39 28.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.526 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.484 HG12 ' N ' ' B' ' 18' ' ' GLU . 3.9 t -143.5 166.78 13.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.635 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.484 ' N ' HG12 ' B' ' 17' ' ' VAL . 6.1 mt-10 -120.45 155.75 56.18 Favored Pre-proline 0 C--N 1.332 -0.166 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.925 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.35 -32.88 40.18 Favored 'Trans proline' 0 C--N 1.308 -1.586 0 C-N-CA 122.653 2.235 . . . . 0.0 112.46 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.7 m -86.42 -17.08 35.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.007 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -57.85 129.83 43.71 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.35 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.67 140.91 49.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.343 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.52 HD12 ' O ' ' B' ' 51' ' ' GLU . 67.3 mt -55.0 -39.69 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.423 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -48.92 -30.01 5.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.562 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -79.91 -34.28 39.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.721 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 86.2 t -53.04 -41.05 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.366 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.416 ' NZ ' ' OD1' ' B' ' 52' ' ' ASP . 1.7 mptm? -57.31 -41.84 80.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.426 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.06 -46.24 85.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.711 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 52.1 mttm -56.16 -53.89 51.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.653 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.634 HG22 HD11 ' B' ' 36' ' ' ILE . 4.4 mm -47.99 -42.8 10.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.732 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.461 ' HA ' ' H ' ' B' ' 36' ' ' ILE . 37.3 tt0 -60.21 -54.3 47.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.323 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -60.21 -28.62 68.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.575 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -83.24 -66.0 0.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.502 ' OE2' ' CG2' ' B' ' 7' ' ' THR . 6.2 mt-10 -85.9 -37.47 19.07 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -178.2 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.477 ' N ' HD13 ' B' ' 36' ' ' ILE . . . 98.76 67.07 0.87 Allowed Glycine 0 CA--C 1.528 0.894 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.978 179.526 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.635 ' N ' HD13 ' B' ' 36' ' ' ILE . 0.0 OUTLIER -139.68 106.0 6.97 Favored Pre-proline 0 CA--C 1.532 0.275 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.143 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' B' ' 39' ' ' ASP . 50.4 Cg_exo -51.17 115.8 2.27 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 121.991 1.794 . . . . 0.0 112.21 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -47.37 -12.17 0.11 Allowed 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.536 2.157 . . . . 0.0 112.439 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' B' ' 37' ' ' PRO . 20.5 m-20 -60.32 -28.3 68.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.303 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -130.24 -1.86 4.51 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.499 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -95.6 136.41 36.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.007 0.432 . . . . 0.0 111.13 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.701 ' HE ' ' NH2' ' B' ' 72' ' ' ARG . 0.3 OUTLIER -145.15 146.72 31.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.894 179.466 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.423 HD12 ' N ' ' B' ' 43' ' ' LEU . 6.7 mp -108.37 157.45 18.38 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.984 0.421 . . . . 0.0 110.748 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.441 HD11 HH11 ' B' ' 42' ' ' ARG . 11.7 mt -144.01 130.43 16.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.409 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -111.92 130.23 55.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.499 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.13 33.52 7.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.495 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.6 18.72 80.01 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -122.73 117.96 26.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.775 0.322 . . . . 0.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -56.3 130.35 44.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.439 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.656 ' N ' HD12 ' B' ' 50' ' ' LEU . 8.7 mp -68.11 -178.95 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.569 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.526 ' OE1' ' NE ' ' B' ' 54' ' ' ARG . 91.8 mt-10 -132.68 116.47 16.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.366 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.416 ' OD1' ' NZ ' ' B' ' 27' ' ' LYS . 3.9 m-20 -61.67 -21.87 64.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.96 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.97 -67.71 1.92 Allowed Glycine 0 CA--C 1.528 0.846 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.099 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.526 ' NE ' ' OE1' ' B' ' 51' ' ' GLU . 9.5 ptp180 -76.75 174.02 10.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.996 0.427 . . . . 0.0 111.297 -178.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.447 ' O ' ' OD1' ' B' ' 58' ' ' ASP . 16.9 p -91.41 -173.46 3.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.78 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.413 HD22 HG21 ' B' ' 61' ' ' ILE . 13.3 mt -80.34 -21.74 42.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.763 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 35.5 p -53.89 -38.89 65.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.044 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' B' ' 55' ' ' THR . 0.1 OUTLIER -66.94 -33.68 76.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.752 -179.727 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.473 ' C ' ' H ' ' B' ' 61' ' ' ILE . 35.0 m-85 -81.41 15.7 1.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.587 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 55.52 6.12 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.809 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.473 ' H ' ' C ' ' B' ' 59' ' ' TYR . 50.2 mt -75.59 121.61 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.237 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -163.05 92.26 0.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.77 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 44.4 tttt 66.98 148.96 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.748 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 51.28 33.65 10.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.42 ' CB ' HG23 ' B' ' 61' ' ' ILE . 84.6 p -105.12 134.1 48.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.608 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 26.4 m -101.84 113.88 27.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.424 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 10.7 mt -102.6 132.44 48.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.67 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -89.03 110.69 21.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.342 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.4 tp -77.54 142.11 39.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.628 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 33.1 t -135.74 112.02 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.208 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.528 HD23 ' N ' ' B' ' 72' ' ' ARG . 1.7 tt -94.22 111.71 23.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.732 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.701 ' NH2' ' HE ' ' B' ' 42' ' ' ARG . 30.4 ttm-85 -81.39 158.81 24.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.115 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.406 ' N ' HD12 ' B' ' 73' ' ' LEU . 2.5 mp -135.39 -157.3 0.78 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.593 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.405 ' NH2' HH11 ' A' ' 139' ' ' ARG . 7.6 tpt180 62.46 135.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.603 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.34 -5.73 0.06 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.774 0 CA-C-O 118.035 -1.425 . . . . 0.0 110.932 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.578 HD12 ' N ' ' A' ' 3' ' ' LEU . 10.0 mp -50.27 -31.56 14.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.44 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -64.77 -45.08 87.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.294 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -71.23 -38.08 71.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.386 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 75.6 mt -68.42 -38.95 80.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.439 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -62.5 -21.03 65.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.455 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.7 tttt -60.94 -47.31 87.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.406 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.451 ' HG2' ' H ' ' A' ' 99' ' ' ILE . 23.1 mp0 -59.55 -52.04 67.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.613 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.559 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -49.93 -33.72 18.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.324 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.0 t -61.27 -38.93 88.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.471 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.31 -51.35 63.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.454 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 13' ' ' LEU . 9.0 mp -54.92 -27.88 46.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.151 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.54 -16.87 60.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.265 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 56.9 mtp85 -100.71 -57.08 2.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.79 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.41 ' O ' ' OD2' ' A' ' 16' ' ' ASP . 6.4 p-10 -161.77 89.1 1.49 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.952 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -55.07 161.42 6.66 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.513 2.142 . . . . 0.0 111.453 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 21' ' ' CYS . 18.9 Cg_endo -60.28 129.97 32.12 Favored 'Trans proline' 0 C--N 1.307 -1.631 0 C-N-CA 122.368 2.046 . . . . 0.0 111.584 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.14 -52.14 13.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.066 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -60.62 -56.04 26.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.791 0.329 . . . . 0.0 110.663 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.64 ' SG ' ' N ' ' A' ' 22' ' ' SER . 19.4 t -107.37 168.11 9.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.64 ' N ' ' SG ' ' A' ' 21' ' ' CYS . 1.8 p -121.61 169.94 10.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.88 0.371 . . . . 0.0 110.652 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.73 159.42 5.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.487 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.06 116.81 0.46 Allowed Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -80.58 148.14 17.97 Favored 'Trans proline' 0 N--CA 1.49 1.316 0 C-N-CA 122.321 2.014 . . . . 0.0 112.134 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.407 HG12 ' H ' ' A' ' 28' ' ' ASP . 6.4 t -69.28 111.32 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.529 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -44.13 -25.91 0.79 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.407 ' H ' HG12 ' A' ' 26' ' ' VAL . 1.2 m-20 -47.52 -61.82 1.74 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.781 0.324 . . . . 0.0 110.644 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -142.41 149.59 39.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.638 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -88.02 52.37 2.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.521 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -141.13 8.54 2.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.29 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -134.17 120.87 20.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.865 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 40.9 m95 -124.71 143.58 50.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.703 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -128.55 159.9 34.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.387 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -158.62 141.16 14.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.708 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.9 m -125.01 154.81 40.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.426 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.5 pt -139.97 125.47 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.628 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.591 ' SD ' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -91.31 131.45 36.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.403 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.591 ' N ' ' SD ' ' A' ' 38' ' ' MET . . . -40.66 123.0 2.26 Favored Glycine 0 CA--C 1.531 1.086 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.26 161.66 31.88 Favored 'Trans proline' 0 N--CA 1.492 1.416 0 C-N-CA 122.209 1.939 . . . . 0.0 112.073 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -83.21 46.59 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.527 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.416 ' OD2' ' O ' ' A' ' 42' ' ' ASP . 23.9 t70 -161.21 23.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.51 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.6 t -152.97 142.98 15.2 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.216 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -70.18 64.18 2.04 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.314 2.009 . . . . 0.0 111.92 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -150.77 -1.25 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.348 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -46.47 149.21 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.499 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.5 35.33 63.01 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -150.87 138.5 6.66 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.4 m -115.19 148.17 18.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.795 0.331 . . . . 0.0 110.56 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.581 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 1.9 m-85 -137.54 138.23 39.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.455 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.402 ' O ' ' OG1' ' A' ' 70' ' ' THR . 61.1 m-85 -101.31 138.16 38.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.475 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.02 112.46 16.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.093 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.73 131.29 36.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.408 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.7 mp -113.62 112.79 41.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.577 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -78.0 132.83 37.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.306 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -109.33 105.42 57.18 Favored Pre-proline 0 CA--C 1.532 0.251 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.83 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -83.75 167.14 13.16 Favored 'Trans proline' 0 C--N 1.312 -1.359 0 C-N-CA 122.427 2.084 . . . . 0.0 111.691 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.9 p -63.94 -34.78 78.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.913 0.387 . . . . 0.0 110.412 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -84.57 23.79 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.664 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.579 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 80.0 t80 -54.62 -37.54 56.19 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.081 -179.384 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 60' ' ' TYR . 17.7 Cg_exo -64.49 -14.75 46.1 Favored 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 121.982 1.788 . . . . 0.0 112.407 -179.271 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -123.21 -49.39 1.94 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.81 0.338 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.79 133.59 26.35 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.205 -179.578 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -69.89 161.34 46.32 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 122.204 1.936 . . . . 0.0 112.291 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.17 166.1 30.89 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.657 2.238 . . . . 0.0 112.264 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 48.1 tttm -108.83 84.0 1.85 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.415 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.7 p -81.02 148.1 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -151.12 145.9 25.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.541 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.76 114.14 8.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.232 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 51' ' ' PHE . 56.6 p -64.74 -19.97 66.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.668 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 p -123.23 148.78 45.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.532 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -79.51 123.16 27.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.148 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.508 HG23 ' O ' ' A' ' 73' ' ' ILE . 14.7 tt -134.59 120.86 33.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.587 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.678 ' CD2' HD12 ' A' ' 137' ' ' ILE . 0.2 OUTLIER -64.21 98.74 0.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.233 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.538 ' ND1' ' OD1' ' A' ' 77' ' ' ASN . 1.6 t-80 -152.13 121.02 3.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.178 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.497 ' C ' ' H ' ' A' ' 78' ' ' ILE . 84.5 Cg_exo -43.22 -51.75 5.47 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 C-N-CA 122.239 1.959 . . . . 0.0 112.343 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.962 HD22 HD12 ' A' ' 109' ' ' LEU . 1.3 p30 -65.54 6.58 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.497 ' H ' ' C ' ' A' ' 76' ' ' PRO . 10.4 mt -148.21 115.87 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.654 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 80' ' ' SER . 18.4 t-20 -78.47 -157.33 0.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.558 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.446 ' N ' ' OD1' ' A' ' 79' ' ' ASN . 8.4 t -88.76 -26.2 21.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.744 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -73.03 3.67 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.576 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.22 5.26 87.3 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.426 ' O ' HG23 ' A' ' 78' ' ' ILE . 3.7 m -56.41 143.67 33.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.332 . . . . 0.0 110.541 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 6.3 mt -131.25 130.06 63.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.516 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 12.2 t -94.66 112.76 24.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.655 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.9 mt -130.51 145.64 51.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.03 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -65.73 -52.07 54.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.912 -179.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.54 ' N ' HD13 ' A' ' 88' ' ' ILE . 0.1 OUTLIER -58.97 -20.4 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.566 -178.92 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.0 tp -90.67 27.89 1.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 110.44 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -140.42 -102.18 0.15 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 27.3 p -97.91 -17.14 19.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.642 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -87.75 18.53 3.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.659 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 72.1 t-105 -76.02 151.59 37.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.173 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.4 m -142.66 126.38 9.54 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.62 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -45.82 -35.84 14.2 Favored 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 122.179 1.919 . . . . 0.0 112.134 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.83 5.55 51.3 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.966 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.3 tt -43.9 149.69 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.468 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.7 p -105.95 131.98 52.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.474 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.497 HG23 ' N ' ' A' ' 100' ' ' SER . 9.7 tp -48.82 -40.02 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.946 0.403 . . . . 0.0 110.12 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.497 ' N ' HG23 ' A' ' 99' ' ' ILE . 10.3 t -59.8 -15.28 19.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.763 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -82.41 -34.94 28.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.356 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.7 t -68.84 -54.4 20.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.671 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.553 HD13 ' SG ' ' A' ' 21' ' ' CYS . 1.0 OUTLIER -60.19 -37.54 80.54 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.3 -179.261 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.504 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.6 OUTLIER -59.84 -41.29 91.07 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.324 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.0 m -54.2 -22.01 10.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.823 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.2 mm -69.13 -55.44 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.448 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 12.4 t -50.97 -50.19 58.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.552 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 46.7 m -53.91 -33.92 58.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.626 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.962 HD12 HD22 ' A' ' 77' ' ' ASN . 0.1 OUTLIER -72.33 -49.62 33.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.473 -179.879 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 39.1 mt -69.35 -28.26 66.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.572 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 81.1 m -69.73 -8.45 48.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.474 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -153.79 90.31 3.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.45 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -79.3 80.97 2.92 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.436 2.091 . . . . 0.0 112.089 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -95.97 111.17 55.28 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.447 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -79.12 46.31 2.16 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 122.248 1.965 . . . . 0.0 111.99 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.53 -39.33 13.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.649 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -141.44 62.38 15.37 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.692 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -79.96 -177.1 3.58 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.904 2.403 . . . . 0.0 112.031 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 78.9 mt -101.1 -38.14 8.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.595 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.3 t -116.49 84.17 14.47 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.538 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -47.43 -18.02 0.73 Allowed 'Trans proline' 0 C--N 1.309 -1.54 0 C-N-CA 122.485 2.123 . . . . 0.0 112.017 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -63.85 -41.75 97.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.476 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 43.2 mt -75.18 -32.64 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.445 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.17 -45.8 86.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.689 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -54.96 -35.48 64.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.547 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 130' ' ' ASP . 37.2 mt -69.78 -56.07 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.442 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.528 ' O ' ' NH1' ' A' ' 131' ' ' ARG . 68.3 t80 -62.6 -31.62 72.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.753 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -50.8 -50.77 55.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.37 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 13.6 p -127.61 -39.84 1.8 Allowed 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 121.081 -0.248 . . . . 0.0 111.218 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 126' ' ' ILE . 38.3 t0 -79.96 98.25 7.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.829 0.347 . . . . 0.0 110.847 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.528 ' NH1' ' O ' ' A' ' 127' ' ' TYR . 0.2 OUTLIER -95.37 -40.59 9.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.281 179.709 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.99 -48.99 52.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.828 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 136' ' ' ARG . 49.7 tttp -69.84 -52.86 21.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.479 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.567 ' HA ' HD11 ' A' ' 137' ' ' ILE . 38.9 t80 -48.38 -27.67 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.461 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -74.92 -29.83 61.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.414 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 133' ' ' LYS . 12.9 ttm-85 -72.7 -50.16 26.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.678 HD12 ' CD2' ' A' ' 74' ' ' TYR . 1.0 OUTLIER -62.94 -49.16 84.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 110.706 -179.711 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 138' ' ' SER . . . . . 0.416 ' O ' ' OG1' ' A' ' 142' ' ' THR . 68.3 m -45.96 -48.11 16.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.923 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 42.5 mtp85 -79.11 -40.55 30.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.202 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -51.01 -41.05 59.55 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.94 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -84.82 -5.69 59.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.903 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.54 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 29.5 m -82.5 -60.28 2.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.911 0.386 . . . . 0.0 110.504 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -62.11 -31.35 71.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.625 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -48.53 -52.11 24.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.187 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -133.02 -33.15 1.17 Allowed 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.425 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 142' ' ' THR . . . -71.72 58.2 0.31 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.905 0.383 . . . . 0.0 110.757 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 2.3 mtm . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.296 179.862 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 39.3 mtm . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -123.42 101.52 7.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.419 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 26.4 pt -97.97 -175.91 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.368 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -126.45 129.14 48.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.886 0.374 . . . . 0.0 110.741 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 89.7 t -107.94 108.76 26.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.405 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.0 tttm -84.91 135.74 33.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.724 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 16.4 m -104.54 152.19 22.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.404 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 tp -56.48 -31.85 64.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.48 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 2.8 m -78.82 1.47 23.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.539 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.93 0.36 85.73 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.53 101.27 4.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.86 0.362 . . . . 0.0 110.354 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 32.7 m -94.29 141.86 28.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.456 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 9.5 tt -151.08 147.04 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.625 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 18.9 p -87.8 130.84 34.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.842 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.455 HD11 ' HB3' ' B' ' 29' ' ' LYS . 8.8 tp -104.85 145.48 30.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.534 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -107.19 109.23 21.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.465 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.546 HG22 ' N ' ' B' ' 18' ' ' GLU . 12.7 p -155.41 161.26 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.637 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.546 ' N ' HG22 ' B' ' 17' ' ' VAL . 0.0 OUTLIER -91.59 162.21 32.14 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.37 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.99 -16.16 25.82 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.732 2.288 . . . . 0.0 112.437 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.7 t -100.76 7.02 44.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.803 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -80.22 140.21 36.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.46 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 13.0 p -81.6 141.16 33.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.659 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 29.3 mm -49.29 -33.54 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.526 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -48.9 -37.16 18.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.27 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -83.79 -38.44 21.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.641 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 46.0 t -52.94 -48.1 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.366 . . . . 0.0 110.376 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -55.27 -48.97 73.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.38 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.87 -33.86 73.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.305 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.455 ' HB3' HD11 ' B' ' 15' ' ' LEU . 3.4 tptp -57.75 -49.37 76.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.246 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 64.8 mt -66.75 -31.99 55.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.607 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' B' ' 35' ' ' GLY . 1.4 tm0? -66.56 -54.52 22.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -60.51 -28.85 68.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.91 0.386 . . . . 0.0 110.375 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -55.07 -66.09 0.47 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.915 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -105.14 -37.2 7.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.119 -179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . 123.73 31.71 0.93 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 22.4 mt -91.99 114.06 60.9 Favored Pre-proline 0 C--N 1.328 -0.338 0 N-CA-C 110.516 -0.179 . . . . 0.0 110.516 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.27 148.69 18.2 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 122.012 1.808 . . . . 0.0 111.716 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -70.71 -20.4 30.41 Favored 'Trans proline' 0 C--N 1.309 -1.525 0 C-N-CA 122.656 2.238 . . . . 0.0 112.51 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -87.09 -1.88 58.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.213 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -116.98 -1.9 11.86 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.042 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.586 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 0.0 OUTLIER -127.65 94.22 3.91 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.772 0.32 . . . . 0.0 110.696 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -97.56 126.4 42.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.299 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.607 HD12 ' N ' ' B' ' 43' ' ' LEU . 8.9 mp -85.91 153.56 22.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.695 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 10.2 mt -144.16 128.0 12.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.374 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -118.44 129.68 55.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.55 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.9 28.9 11.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.682 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.36 28.08 58.47 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -134.73 137.76 43.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.808 0.337 . . . . 0.0 110.572 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.62 137.42 49.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.377 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.709 ' N ' HD12 ' B' ' 50' ' ' LEU . 7.0 mp -80.72 177.04 9.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.526 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -127.05 136.11 51.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.314 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.7 p30 -60.18 -19.19 52.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.895 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.74 -18.88 39.22 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.764 -0.535 . . . . 0.0 111.764 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.433 ' CB ' ' OH ' ' B' ' 59' ' ' TYR . 0.3 OUTLIER -76.84 166.23 23.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.944 0.402 . . . . 0.0 110.679 -179.724 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 7.4 p -121.17 174.91 6.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.21 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 mp -68.94 -43.89 74.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.104 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 24.3 p -54.06 -28.92 41.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.608 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -58.55 -45.17 89.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.635 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.433 ' OH ' ' CB ' ' B' ' 54' ' ' ARG . 2.6 m-85 -95.05 19.02 11.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.421 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 72.88 -74.08 0.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.918 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 18.7 mm 51.26 93.28 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.344 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.442 ' O ' ' O ' ' B' ' 63' ' ' LYS . 79.4 mm-40 -97.58 54.79 1.19 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.923 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' B' ' 62' ' ' GLN . 23.3 ttmt 56.4 158.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 110.575 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 55.21 29.55 12.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.758 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 39.4 m -75.45 168.08 20.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.378 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.9 m -136.46 109.01 7.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.671 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 mp -102.22 156.43 17.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.26 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -98.3 123.64 42.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.611 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.579 HD23 ' N ' ' B' ' 70' ' ' VAL . 3.5 tt -108.27 113.78 27.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.282 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.579 ' N ' HD23 ' B' ' 69' ' ' LEU . 5.1 t -105.97 143.43 16.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.74 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.562 ' N ' HD12 ' B' ' 71' ' ' LEU . 10.5 mp -94.44 152.01 18.93 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.509 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 48.5 ttt85 -105.42 98.77 8.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.482 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.523 ' H ' HD12 ' B' ' 73' ' ' LEU . 0.0 OUTLIER -129.26 158.74 38.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.308 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 17.5 ttp85 -168.25 72.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.677 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 166.89 37.85 0.02 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.775 0 CA-C-O 118.04 -1.422 . . . . 0.0 110.945 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.7 mt -67.78 -30.01 69.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.542 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.08 -39.96 63.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.568 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -65.41 -46.19 80.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.859 0.362 . . . . 0.0 110.09 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 73.4 mt -63.2 -45.25 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.559 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -52.94 -30.2 33.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.479 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -66.82 -33.92 76.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.496 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.519 ' OE2' ' N ' ' A' ' 99' ' ' ILE . 2.1 tt0 -69.56 -49.3 55.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.314 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.611 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -52.58 -23.37 6.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.126 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.1 t -63.25 -40.83 98.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.559 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -77.46 -37.12 52.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.555 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 tp -65.28 -61.04 2.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.526 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.92 -27.78 14.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.601 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -38.64 78.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.449 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -172.71 86.02 0.42 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.518 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -46.21 133.52 15.31 Favored 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.464 2.11 . . . . 0.0 111.94 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -51.32 127.69 23.04 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 122.024 1.816 . . . . 0.0 112.03 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.474 ' HB2' ' NZ ' ' B' ' 6' ' ' LYS . . . -75.34 -32.98 61.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.948 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -80.45 -56.08 4.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.098 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.0 m -119.02 77.13 1.16 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.807 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.5 m -58.03 141.47 49.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.377 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.96 176.05 12.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.602 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.83 171.02 36.47 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -72.97 145.2 39.56 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.763 2.309 . . . . 0.0 112.042 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.408 HG12 ' H ' ' A' ' 28' ' ' ASP . 5.0 t -79.42 150.58 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.566 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.59 -12.27 63.81 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.408 ' H ' HG12 ' A' ' 26' ' ' VAL . 26.8 t0 -69.22 -54.71 13.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.876 0.369 . . . . 0.0 110.587 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -170.48 144.9 2.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 86.7 mmm -63.54 -17.09 62.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.615 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -74.19 8.53 2.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.56 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -148.04 120.81 8.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.571 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -111.98 165.89 11.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.057 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -146.23 141.66 27.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.609 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.508 ' O ' ' CD1' ' A' ' 51' ' ' PHE . . . -123.75 173.22 8.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.165 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.7 m -144.98 145.48 31.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.049 0.452 . . . . 0.0 110.869 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.9 pt -143.25 153.95 16.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.096 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 6.1 ttt -133.96 139.28 46.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.802 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.61 ' C ' ' H ' ' A' ' 41' ' ' ASN . . . -40.33 104.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 41' ' ' ASN . 50.2 Cg_exo -50.51 1.45 0.03 OUTLIER 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.389 2.059 . . . . 0.0 112.322 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.61 ' H ' ' C ' ' A' ' 39' ' ' GLY . 12.8 t-20 82.78 29.83 0.1 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.907 0.384 . . . . 0.0 110.314 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -137.21 -19.15 1.28 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.392 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.0 m -103.03 146.82 33.13 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.424 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -40.68 -34.78 1.35 Allowed 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 122.565 2.177 . . . . 0.0 112.318 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -71.96 48.83 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -74.06 118.22 16.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.583 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.81 -34.69 4.26 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.5 128.61 45.84 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.8 m -92.15 145.64 7.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.715 0.293 . . . . 0.0 110.603 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -132.36 154.92 49.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.4 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.508 ' CD1' ' O ' ' A' ' 35' ' ' ALA . 0.1 OUTLIER -140.12 146.2 38.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.432 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.99 168.97 18.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.412 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.512 HG22 ' N ' ' A' ' 54' ' ' ILE . 32.7 m -127.76 160.9 30.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.678 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.512 ' N ' HG22 ' A' ' 53' ' ' THR . 4.5 mp -137.79 133.6 45.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.415 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -112.08 152.82 27.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.646 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 56' ' ' PHE . 19.2 m-85 -120.63 138.03 27.02 Favored Pre-proline 0 CA--C 1.53 0.206 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.332 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.49 ' C ' ' H ' ' A' ' 59' ' ' ASP . 82.3 Cg_endo -77.78 131.89 11.55 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 C-N-CA 122.466 2.111 . . . . 0.0 111.99 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.7 p -55.1 -7.34 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.258 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.49 ' H ' ' C ' ' A' ' 57' ' ' PRO . 8.5 t70 -93.7 22.84 5.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.578 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.479 ' CG ' ' C ' ' A' ' 59' ' ' ASP . 1.2 m-85 72.53 151.94 0.14 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.521 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.486 ' C ' ' N ' ' A' ' 63' ' ' LYS . 4.1 Cg_endo -47.96 -20.46 2.07 Favored 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 122.442 2.095 . . . . 0.0 111.877 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -47.45 -15.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 109.977 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.486 ' N ' ' C ' ' A' ' 61' ' ' PRO . 10.5 mptt -109.91 134.33 20.7 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.886 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -52.33 117.6 3.78 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.007 1.805 . . . . 0.0 111.909 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -77.78 172.02 16.39 Favored 'Trans proline' 0 N--CA 1.491 1.324 0 C-N-CA 122.321 2.014 . . . . 0.0 112.13 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -110.21 128.02 55.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.597 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.5 m -104.51 115.98 47.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.343 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -105.15 161.67 14.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.688 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.98 111.47 13.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.38 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 70' ' ' THR . 6.4 p -64.47 -48.06 76.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.572 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.4 m -85.14 136.41 33.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.0 mtp180 -80.09 114.18 18.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.588 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.454 ' CG2' HG21 ' A' ' 78' ' ' ILE . 15.8 tt -112.12 126.94 69.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.262 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -76.57 96.48 4.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.67 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.459 ' O ' ' O ' ' A' ' 78' ' ' ILE . 1.2 t-80 -153.57 125.4 3.76 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.054 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -43.86 -46.88 10.42 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.482 2.121 . . . . 0.0 113.038 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.435 ' ND2' ' CD2' ' A' ' 109' ' ' LEU . 8.0 p30 -72.89 -7.87 52.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.63 -178.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.459 ' O ' ' O ' ' A' ' 75' ' ' HIS . 30.6 mt -129.01 126.3 64.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 120.927 0.394 . . . . 0.0 110.918 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -90.68 166.06 13.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.587 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.4 p -73.84 -22.67 59.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.457 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -72.94 -10.12 59.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.521 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.94 23.38 13.47 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.9 m -86.12 136.77 33.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.788 0.328 . . . . 0.0 110.511 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 15.1 mt -137.44 128.99 40.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.581 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 6.1 p -104.24 113.11 26.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.646 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 41.7 mt -136.16 150.58 49.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.482 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.41 ' C ' ' N ' ' A' ' 89' ' ' LEU . 44.0 t0 -69.04 -52.3 30.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.989 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.739 HD12 ' N ' ' A' ' 89' ' ' LEU . 2.6 pp -53.19 -11.96 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.748 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.739 ' N ' HD12 ' A' ' 88' ' ' ILE . 0.8 OUTLIER -79.03 -36.94 40.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.464 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 71.4 mtm180 -73.16 -164.9 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.792 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.479 ' C ' ' H ' ' A' ' 93' ' ' TRP . 49.5 m -41.75 -27.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.798 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -58.25 -4.02 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.523 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.595 ' CD2' HD21 ' A' ' 97' ' ' LEU . 40.4 t-105 -73.14 102.93 3.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.503 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.485 ' N ' HD23 ' A' ' 97' ' ' LEU . 2.7 m -86.53 118.84 70.88 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.565 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -49.52 -7.71 0.09 OUTLIER 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 122.35 2.034 . . . . 0.0 112.309 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.468 ' H ' ' C ' ' A' ' 94' ' ' SER . . . -114.72 28.95 8.36 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.328 -179.306 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.718 ' C ' HD12 ' A' ' 97' ' ' LEU . 3.6 pp -104.03 152.03 22.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.718 0.294 . . . . 0.0 110.314 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.2 t -101.94 157.3 16.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.97 0.414 . . . . 0.0 110.895 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.519 ' N ' ' OE2' ' A' ' 9' ' ' GLU . 1.6 tp -70.52 -22.36 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.719 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.8 m -52.97 -49.95 65.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.255 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.529 ' HZ2' HG21 ' A' ' 88' ' ' ILE . 2.1 pttp -63.72 -36.61 84.41 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.023 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 37.5 t -52.94 -33.84 19.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.655 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.1 mt -67.07 -45.47 77.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.584 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.539 HD22 ' N ' ' A' ' 104' ' ' LEU . 3.7 mm? -60.02 -38.0 81.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.424 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.22 -48.31 62.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.351 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 72.4 mt -71.03 -53.99 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.525 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 20.0 t -50.97 -38.76 52.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.582 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.3 m -76.54 -30.13 56.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.57 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.435 ' CD2' ' ND2' ' A' ' 77' ' ' ASN . 14.1 tp -61.81 -36.07 80.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.526 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 40.7 mt -70.63 -32.07 69.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.354 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 10.7 t -75.03 -10.42 59.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.588 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 113' ' ' PRO . 40.2 t0 -157.6 72.22 4.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.44 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.426 ' O ' ' O ' ' A' ' 112' ' ' ASP . 78.1 Cg_exo -47.18 -176.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.852 2.368 . . . . 0.0 112.276 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -145.04 76.85 13.41 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.539 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -77.72 67.96 7.78 Favored 'Trans proline' 0 C--N 1.307 -1.606 0 C-N-CA 122.626 2.217 . . . . 0.0 111.975 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.423 ' O ' ' OD1' ' A' ' 117' ' ' ASP . 5.1 m-20 -154.66 -33.13 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.375 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 116' ' ' ASP . 2.5 m-20 -139.02 57.63 11.27 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.419 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -72.19 -175.58 1.8 Allowed 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.733 2.289 . . . . 0.0 112.049 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.3 tp -122.82 3.69 9.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.224 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.5 t -146.4 83.17 8.51 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.438 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -47.1 -24.77 3.66 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.653 2.235 . . . . 0.0 112.355 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -69.95 -52.06 27.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.548 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 83.1 mt -68.06 -41.89 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.499 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.28 -39.98 76.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.571 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 -54.89 -37.1 65.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.491 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.431 ' O ' ' O ' ' A' ' 130' ' ' ASP . 15.6 mm -69.34 -56.05 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.786 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -60.04 -31.51 70.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.205 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 18.0 tptt -50.62 -68.08 0.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.194 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 8.0 p -107.1 -42.18 4.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.636 0.255 . . . . 0.0 111.254 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 126' ' ' ILE . 3.0 m-20 -82.98 83.47 7.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.738 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 29.3 mmm-85 -91.36 -46.43 8.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.514 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -57.12 -41.48 79.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.569 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -75.26 -30.25 60.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.615 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -47.99 -46.19 32.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.547 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -60.74 -37.18 80.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.581 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -53.88 -48.67 69.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.595 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.632 HD12 ' N ' ' A' ' 137' ' ' ILE . 1.5 mp -69.12 -30.8 47.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.307 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.7 m -72.19 -62.96 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.995 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -25.76 31.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.806 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -72.35 -50.16 28.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.288 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' TRP . . . . . 0.438 ' O ' ' N ' ' A' ' 145' ' ' TYR . 11.4 m95 -68.62 -16.18 63.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.653 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.441 ' HA ' ' HB3' ' A' ' 146' ' ' ALA . 25.7 m -65.57 -39.23 91.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.9 0.381 . . . . 0.0 110.844 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -76.5 -31.89 57.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.18 -0.464 . . . . 0.0 112.088 -179.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.406 ' HG2' ' H ' ' A' ' 144' ' ' LYS . 26.8 pttt -101.27 -18.76 15.96 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 141' ' ' TRP . 41.6 m-85 -128.6 19.43 6.21 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.87 -179.497 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 142' ' ' THR . . . -158.85 22.6 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.016 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 17.1 mmt . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.368 179.625 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.4 ttm . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -160.18 138.11 9.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.37 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.778 HD13 ' H ' ' B' ' 3' ' ' ILE . 0.1 OUTLIER -147.57 166.72 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.658 179.802 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -93.9 146.79 23.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 98.8 t -123.3 102.86 12.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.334 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.474 ' NZ ' ' HB2' ' A' ' 19' ' ' ALA . 16.7 tptm -83.23 142.33 31.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.504 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.4 m -121.34 160.23 24.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.416 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 tp -65.55 -23.22 66.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.55 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 34.3 p -79.72 1.94 24.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.578 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.62 3.38 86.32 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 25.7 tptt -75.66 135.39 40.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.937 0.399 . . . . 0.0 110.546 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 5.2 m -134.05 107.83 7.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.859 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 13.0 tt -131.53 144.41 37.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.748 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.413 ' O ' ' NZ ' ' B' ' 33' ' ' LYS . 43.1 p -75.69 146.27 40.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.439 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.728 HD13 ' N ' ' B' ' 16' ' ' GLU . 0.6 OUTLIER -122.15 124.72 44.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.057 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.728 ' N ' HD13 ' B' ' 15' ' ' LEU . 48.6 mt-10 -84.51 125.63 32.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.845 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.704 HG22 ' N ' ' B' ' 18' ' ' GLU . 13.6 p -149.5 174.43 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.808 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.704 ' N ' HG22 ' B' ' 17' ' ' VAL . 36.8 mt-10 -131.93 142.77 46.36 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.252 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -45.15 -34.24 9.26 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 122.483 2.122 . . . . 0.0 112.726 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 15.5 p -84.76 7.07 21.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.047 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -82.83 137.88 34.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.529 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 4.0 m -94.14 140.77 29.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.45 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.1 mm -42.54 -50.17 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.637 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -48.66 -37.5 18.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.808 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.441 ' O ' ' HB3' ' B' ' 28' ' ' ALA . 13.2 m-20 -79.54 -42.39 25.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.7 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 38.4 t -53.07 -43.81 49.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.562 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.748 ' N ' ' HZ3' ' B' ' 27' ' ' LYS . 0.1 OUTLIER -61.22 -31.53 71.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.888 0.375 . . . . 0.0 110.136 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' B' ' 25' ' ' ASN . . . -64.48 -27.92 69.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.03 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -54.55 13.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.447 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 84.1 mt -56.86 -41.8 76.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.593 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.539 ' O ' ' N ' ' B' ' 35' ' ' GLY . 21.9 mt-30 -50.88 -50.79 56.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.628 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -75.55 -28.95 59.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.06 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.413 ' NZ ' ' O ' ' B' ' 14' ' ' THR . 21.1 tttt -72.64 -16.72 61.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.209 -179.136 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -129.09 -37.18 1.7 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.749 0.309 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . 100.97 15.02 29.71 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 34.1 mt -95.49 112.35 58.54 Favored Pre-proline 0 C--N 1.329 -0.293 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -51.47 154.0 9.43 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.051 1.834 . . . . 0.0 112.169 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -73.43 -7.84 20.92 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.907 2.405 . . . . 0.0 112.412 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' B' ' 39' ' ' ASP . 56.8 t0 -60.35 -16.4 34.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.571 -179.138 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -130.21 -29.03 2.07 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.647 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -70.92 124.72 24.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.068 0.461 . . . . 0.0 111.433 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.435 HH11 ' HB3' ' B' ' 42' ' ' ARG . 5.8 ptm85 -145.15 123.76 12.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.458 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 tp -86.01 149.05 25.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.167 0.508 . . . . 0.0 111.396 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 16.4 mt -141.57 136.74 31.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.253 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -112.64 120.86 42.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.388 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.43 29.43 15.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.417 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.1 -19.84 36.5 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -87.96 128.68 35.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.796 0.331 . . . . 0.0 110.623 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -60.51 137.89 58.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.55 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.3 mt -82.09 125.67 31.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.544 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -53.13 117.2 2.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.307 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -58.4 -39.46 79.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.904 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.55 59.35 2.57 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.452 -0.659 . . . . 0.0 111.452 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 8.2 mmt85 -148.15 164.09 34.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.788 0.328 . . . . 0.0 110.32 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 22.3 p -116.12 152.02 34.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.44 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.531 HD22 ' N ' ' B' ' 56' ' ' LEU . 3.9 mm? -57.03 -32.41 66.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.403 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 7.4 t -53.88 -30.61 46.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.367 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -84.9 -43.07 14.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.427 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -75.88 -12.55 60.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.19 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' B' ' 56' ' ' LEU . 7.8 t-20 70.35 -81.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.72 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.437 ' C ' ' O ' ' B' ' 60' ' ' ASN . 68.4 mt 35.05 87.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.694 0.283 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -68.94 176.46 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.697 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -58.01 158.4 6.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.546 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 65.04 47.47 2.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.666 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.0 m -104.98 149.29 25.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.541 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.9 m -107.4 108.97 20.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.611 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 10.8 mt -105.5 150.28 25.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.36 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -95.97 141.97 28.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.921 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.555 HD23 ' N ' ' B' ' 70' ' ' VAL . 2.4 tt -129.46 111.71 13.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.223 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.555 ' N ' HD23 ' B' ' 69' ' ' LEU . 0.3 OUTLIER -119.43 138.35 50.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.397 179.832 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.515 ' N ' HD12 ' B' ' 71' ' ' LEU . 7.8 mp -97.07 121.92 39.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.582 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -87.04 85.9 7.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.259 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.547 ' H ' HD12 ' B' ' 73' ' ' LEU . 3.8 mp -52.69 121.99 8.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.72 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -146.04 114.58 6.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.212 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -160.37 -30.58 0.02 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.741 0 CA-C-O 117.952 -1.471 . . . . 0.0 110.93 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 mt -51.84 -47.94 64.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.7 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.677 ' CD ' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -59.46 -36.23 75.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.744 -179.778 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 74.4 mtt-85 -75.4 -50.62 15.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.841 0.353 . . . . 0.0 110.433 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 78.6 mt -52.88 -38.98 29.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.572 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -60.92 -25.43 66.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.75 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -64.0 -49.88 70.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.589 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -57.53 -42.09 82.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.527 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.589 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -58.19 -31.55 67.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.348 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.2 m -59.88 -26.98 66.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.455 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -73.49 -48.73 31.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.536 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.4 mt -70.59 -25.15 62.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.471 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.41 -16.88 60.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.512 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -93.92 -51.35 4.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.424 ' O ' ' OD2' ' A' ' 16' ' ' ASP . 4.3 p-10 -167.63 90.33 0.7 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.818 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -54.1 158.95 8.33 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 122.557 2.172 . . . . 0.0 111.876 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' A' ' 21' ' ' CYS . 54.6 Cg_endo -71.11 137.87 32.43 Favored 'Trans proline' 0 C--N 1.309 -1.528 0 C-N-CA 122.585 2.19 . . . . 0.0 112.002 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.459 ' O ' HD12 ' B' ' 8' ' ' LEU . . . -75.04 -44.0 50.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.683 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -57.56 -54.51 45.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.674 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.433 ' O ' ' O ' ' A' ' 18' ' ' PRO . 10.8 p -113.64 -166.13 1.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.615 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.8 m -157.32 155.71 31.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.491 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.81 161.87 6.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.803 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.49 135.07 1.87 Allowed Glycine 0 CA--C 1.531 1.077 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.68 147.81 31.94 Favored 'Trans proline' 0 N--CA 1.492 1.421 0 C-N-CA 122.33 2.02 . . . . 0.0 112.153 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.2 m -92.01 133.73 32.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.37 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.455 ' C ' ' H ' ' A' ' 29' ' ' ASP . . . -57.04 -178.38 0.49 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.432 ' N ' ' OD1' ' A' ' 28' ' ' ASP . 0.6 OUTLIER 69.35 -10.44 0.55 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.694 0.283 . . . . 0.0 110.798 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.455 ' H ' ' C ' ' A' ' 27' ' ' GLY . 8.6 t70 -172.7 116.28 0.31 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.843 0.354 . . . . 0.0 110.853 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.95 -7.37 58.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.402 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.454 ' C ' ' HD1' ' A' ' 32' ' ' HIS . 6.3 m-85 -89.39 24.48 2.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.49 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.454 ' HD1' ' C ' ' A' ' 31' ' ' PHE . 32.0 m80 -144.25 120.88 11.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.408 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -120.86 163.15 18.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.508 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 -132.76 174.2 10.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.475 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.703 ' HB3' ' HB2' ' A' ' 52' ' ' LEU . . . -162.78 124.04 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.531 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.9 m -113.33 124.91 53.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.478 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 38' ' ' MET . 67.3 mt -130.52 157.19 42.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.499 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.499 ' SD ' ' O ' ' A' ' 38' ' ' MET . 3.5 ppp? -133.52 130.3 38.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.434 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.593 ' O ' ' O ' ' A' ' 40' ' ' PRO . . . -48.26 128.34 17.97 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.593 ' O ' ' O ' ' A' ' 39' ' ' GLY . 89.9 Cg_exo -40.59 -116.73 0.0 OUTLIER 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 122.852 2.368 . . . . 0.0 112.896 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -128.61 -60.3 1.11 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.65 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -81.5 28.74 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.657 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.53 155.11 38.24 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.352 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.44 ' C ' ' H ' ' A' ' 46' ' ' GLN . 55.8 Cg_endo -71.22 -53.96 0.17 Allowed 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 122.521 2.147 . . . . 0.0 111.977 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -77.32 22.4 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.418 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.525 HE21 ' C ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -64.92 150.89 47.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.505 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.497 ' O ' ' SD ' ' A' ' 147' ' ' MET . . . 83.36 21.26 58.84 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -136.99 161.64 25.16 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -108.02 152.67 9.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.767 0.318 . . . . 0.0 110.502 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -118.48 168.89 10.24 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.64 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -140.07 149.39 43.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.394 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.703 ' HB2' ' HB3' ' A' ' 35' ' ' ALA . 2.9 mt -147.71 163.0 38.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.406 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.14 106.73 3.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.333 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.1 mp -101.47 106.57 19.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -80.04 154.88 27.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.637 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.603 ' CE2' ' CE2' ' A' ' 60' ' ' TYR . 19.6 m-85 -122.71 105.74 35.26 Favored Pre-proline 0 CA--C 1.531 0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.598 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -75.29 157.02 41.75 Favored 'Trans proline' 0 C--N 1.313 -1.316 0 C-N-CA 122.074 1.849 . . . . 0.0 111.855 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -48.97 -28.58 3.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.94 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -101.47 23.29 11.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.084 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.603 ' CE2' ' CE2' ' A' ' 56' ' ' PHE . 18.4 t80 -44.3 -53.15 14.74 Favored Pre-proline 0 C--N 1.328 -0.362 0 C-N-CA 120.979 -0.289 . . . . 0.0 111.246 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 60' ' ' TYR . 11.2 Cg_endo -54.13 -13.67 5.19 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 122.28 1.987 . . . . 0.0 112.708 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -119.11 -49.5 2.4 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 121.031 -0.268 . . . . 0.0 111.093 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.491 ' NZ ' ' CB ' ' A' ' 63' ' ' LYS . 7.9 mtmp? -97.77 148.08 33.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.83 159.44 52.8 Favored 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 122.43 2.087 . . . . 0.0 111.869 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.91 171.64 17.77 Favored 'Trans proline' 0 C--N 1.308 -1.595 0 C-N-CA 122.701 2.267 . . . . 0.0 112.058 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -108.93 86.14 2.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.147 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.0 p -81.15 148.1 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.76 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -153.7 120.75 5.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.535 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.528 ' CZ ' HD11 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -74.51 108.85 7.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.358 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.6 p -62.13 -31.52 72.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.48 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.3 p -89.7 124.85 34.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.555 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.528 ' NH2' ' O ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -72.78 88.93 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.259 179.842 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 16.2 tt -97.95 144.65 10.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.455 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.482 ' CD2' HG21 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -98.92 101.98 13.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.531 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 78' ' ' ILE . 1.1 t60 -146.69 132.42 9.34 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.132 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -43.11 -52.11 5.08 Favored 'Trans proline' 0 C--N 1.312 -1.372 0 C-N-CA 122.449 2.099 . . . . 0.0 112.618 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -76.09 -0.61 22.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.361 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.552 HG22 ' N ' ' A' ' 79' ' ' ASN . 5.3 mm -126.04 166.11 22.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.805 0.336 . . . . 0.0 110.369 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.552 ' N ' HG22 ' A' ' 78' ' ' ILE . 54.0 p30 -144.55 -176.27 4.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.563 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.6 m -85.08 -18.26 34.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.676 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -73.16 -15.71 61.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.591 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.468 ' O ' HD12 ' A' ' 84' ' ' ILE . . . 88.05 11.1 68.0 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.401 ' HB3' HD21 ' A' ' 79' ' ' ASN . 5.6 t -86.98 109.47 19.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.73 0.3 . . . . 0.0 110.596 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.468 HD12 ' O ' ' A' ' 82' ' ' GLY . 5.2 mp -98.07 133.76 38.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.538 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.539 ' HB2' HD23 ' A' ' 119' ' ' LEU . 11.7 t -107.87 117.02 33.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.606 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 mt -145.29 162.74 36.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.219 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -64.0 -52.08 61.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.658 HD12 ' N ' ' A' ' 89' ' ' LEU . 2.7 pp -62.97 -11.7 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.76 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.658 ' N ' HD12 ' A' ' 88' ' ' ILE . 0.2 OUTLIER -93.11 24.6 3.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.991 0.424 . . . . 0.0 109.881 179.5 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' A' ' 92' ' ' GLN . 24.3 mtp85 -135.7 -159.97 1.01 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.393 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.545 ' C ' ' H ' ' A' ' 93' ' ' TRP . 8.3 t -38.07 -24.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.825 0.345 . . . . 0.0 110.942 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.535 ' N ' ' O ' ' A' ' 90' ' ' ARG . 33.9 mt-30 -71.93 29.03 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.48 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.545 ' H ' ' C ' ' A' ' 91' ' ' SER . 72.8 t-105 -92.81 110.26 21.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.58 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.55 ' O ' ' N ' ' A' ' 96' ' ' ALA . 1.2 m -94.88 121.51 62.53 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.458 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -45.7 -9.39 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 122.151 1.901 . . . . 0.0 112.3 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -143.4 65.76 1.32 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.995 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.485 ' H ' ' HG ' ' A' ' 97' ' ' LEU . 2.6 pp -104.08 152.06 22.53 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.475 179.592 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.55 ' O ' ' N ' ' A' ' 100' ' ' SER . 12.8 p -82.61 93.85 7.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.072 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 18.5 tt -38.53 -23.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.55 ' N ' ' O ' ' A' ' 98' ' ' THR . 40.7 t -53.34 -36.27 61.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.651 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.423 ' NZ ' ' CG2' ' A' ' 88' ' ' ILE . 3.9 ptmm? -72.07 -35.84 69.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.721 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 88.4 t -57.91 -50.23 78.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.479 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 103' ' ' LEU . 6.8 mp -66.81 -46.1 76.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.387 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.56 -40.32 91.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.414 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.6 m -50.19 -39.96 45.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.536 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 71.5 mt -60.19 -48.21 89.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.427 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 95.3 m -52.88 -37.24 60.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.541 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.1 t -73.56 -28.06 61.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.559 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 112' ' ' ASP . 6.3 tt -76.74 -43.41 37.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.489 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 96.1 mt -54.31 -45.86 72.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.496 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 10.1 t -82.9 5.06 23.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.582 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 109' ' ' LEU . 33.5 t0 -158.12 104.3 1.72 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.479 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -78.88 -174.17 2.17 Favored 'Trans proline' 0 C--N 1.313 -1.321 0 C-N-CA 122.289 1.993 . . . . 0.0 112.139 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -156.19 106.96 2.07 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.501 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.453 ' O ' ' CB ' ' A' ' 116' ' ' ASP . 72.4 Cg_endo -79.53 -158.0 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.346 0 C-N-CA 122.304 2.003 . . . . 0.0 111.984 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 115' ' ' PRO . 7.9 t70 81.11 73.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.992 0.425 . . . . 0.0 110.462 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 41.37 68.12 2.69 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_exo -62.92 -149.44 0.02 OUTLIER 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.743 2.296 . . . . 0.0 111.825 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.539 HD23 ' HB2' ' A' ' 85' ' ' CYS . 0.2 OUTLIER -83.97 -27.37 28.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.069 179.699 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.0 m -130.99 77.76 74.65 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.475 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -46.3 -17.75 0.37 Allowed 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.737 2.291 . . . . 0.0 112.347 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -61.85 -49.16 77.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.624 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.401 HD13 HG21 ' A' ' 123' ' ' ILE . 18.6 mt -73.51 -29.07 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.543 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.03 -45.93 82.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.712 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -54.96 -42.05 71.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.646 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 24.6 mt -70.81 -47.57 62.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.478 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -64.8 -31.18 72.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -50.51 -68.07 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.024 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.8 p -112.47 -42.16 3.72 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.647 0.261 . . . . 0.0 111.171 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -79.59 61.2 3.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.717 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -73.59 -20.67 60.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.578 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.5 -34.0 77.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.543 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 136' ' ' ARG . 20.8 ttmt -76.25 -50.78 13.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.49 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -47.66 -27.37 1.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.699 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -70.04 -46.29 65.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.791 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.492 ' HG3' ' N ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -71.49 -33.56 69.37 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.135 -179.242 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.492 ' N ' ' HG3' ' A' ' 136' ' ' ARG . 11.0 mt -67.2 -30.83 50.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.868 0.366 . . . . 0.0 110.653 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 7.4 t -68.82 -55.02 12.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.315 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 5.4 ptt-85 -68.09 -24.87 65.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.2 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -68.19 -50.08 56.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.977 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -71.74 1.15 7.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.988 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.649 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 33.8 m -76.49 -60.51 2.31 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.161 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.416 ' O ' ' O ' ' A' ' 147' ' ' MET . 17.6 tt0 -65.8 -31.52 72.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.061 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 22.9 tttp -52.09 -48.04 64.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.339 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -133.28 -33.28 1.13 Allowed 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 142' ' ' THR . . . -67.55 -24.68 65.56 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.907 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' MET . . . . . 0.497 ' SD ' ' O ' ' A' ' 47' ' ' GLY . 69.8 mtm . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.41 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 46.3 ttp . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -98.25 142.09 30.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.446 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.7 pt -140.15 145.08 26.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.427 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.456 ' CZ ' HG23 ' B' ' 14' ' ' THR . 30.9 m-85 -93.32 121.82 35.09 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.526 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.451 ' CG1' HD13 ' B' ' 69' ' ' LEU . 21.8 t -98.94 106.1 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.521 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -87.25 128.3 35.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.484 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 43.5 p -92.89 -175.88 4.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.81 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.459 HD12 ' O ' ' A' ' 19' ' ' ALA . 3.6 tp -75.97 5.09 7.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.575 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 18.1 p -123.89 9.8 8.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.626 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' B' ' 12' ' ' THR . . . 87.36 -26.35 7.16 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.76 94.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.788 0.327 . . . . 0.0 110.701 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.477 HG23 ' O ' ' B' ' 12' ' ' THR . 7.1 t -103.45 128.68 50.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.558 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 11.7 pt -138.54 143.97 31.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.458 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.456 HG23 ' CZ ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -74.97 143.22 43.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.424 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.421 HD12 HG21 ' B' ' 5' ' ' VAL . 0.5 OUTLIER -131.66 138.94 48.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.318 -179.877 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -95.8 120.19 35.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.558 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 6.9 m -148.16 144.63 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.535 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' B' ' 20' ' ' SER . 54.4 mm-40 -77.82 121.92 84.86 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.328 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -45.25 -12.72 0.06 OUTLIER 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 122.205 1.936 . . . . 0.0 112.318 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.506 ' N ' ' O ' ' B' ' 18' ' ' GLU . 15.9 p -103.09 -17.33 15.45 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.109 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' B' ' 18' ' ' GLU . 0.8 OUTLIER -65.83 129.93 41.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 0.0 110.169 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.4 p -76.12 145.27 40.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.525 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.537 HD13 ' HB3' ' B' ' 50' ' ' LEU . 9.7 mt -46.74 -33.94 2.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.076 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.408 ' O ' ' OE2' ' B' ' 24' ' ' GLU . 1.8 tm-20 -48.63 -34.97 12.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 110.572 -179.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.412 HD22 ' C ' ' B' ' 25' ' ' ASN . 0.3 OUTLIER -85.0 -29.91 24.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.541 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 89.7 t -59.47 -47.35 91.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.616 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.447 ' HZ2' ' HB3' ' B' ' 27' ' ' LYS . 0.3 OUTLIER -51.11 -33.27 25.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.422 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.77 -33.02 58.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.411 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -74.3 -52.94 10.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.53 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 16.3 tt -59.47 -31.83 47.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.132 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' B' ' 35' ' ' GLY . 4.3 tm0? -58.04 -54.14 50.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.53 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.411 ' OD2' ' OE1' ' B' ' 31' ' ' GLN . 9.2 m-20 -67.76 -28.95 68.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.76 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -66.06 0.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.974 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.455 ' HB2' HD11 ' B' ' 36' ' ' ILE . 39.9 mt-10 -81.26 -37.19 28.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.881 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . 113.6 -21.46 16.63 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.655 HD13 ' NE2' ' B' ' 41' ' ' GLN . 0.6 OUTLIER -61.91 143.7 94.29 Favored Pre-proline 0 C--N 1.33 -0.268 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.087 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -70.75 161.71 45.13 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.294 1.996 . . . . 0.0 112.055 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -62.69 -42.03 27.98 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.485 2.123 . . . . 0.0 112.277 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -54.89 -32.77 61.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.259 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -90.69 -1.89 57.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.064 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.655 ' NE2' HD13 ' B' ' 36' ' ' ILE . 73.6 mm-40 -94.39 126.0 39.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.941 0.4 . . . . 0.0 111.01 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.415 HH21 HE21 ' B' ' 49' ' ' GLN . 50.6 ttt85 -144.62 99.67 3.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.758 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.522 HD12 ' H ' ' B' ' 43' ' ' LEU . 1.3 mp -85.94 131.74 34.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.377 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.482 HG22 ' N ' ' B' ' 45' ' ' PHE . 48.3 mm -124.26 157.87 31.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.063 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.482 ' N ' HG22 ' B' ' 44' ' ' ILE . 28.0 t80 -160.05 130.5 5.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.846 0.355 . . . . 0.0 110.76 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 45.77 29.13 0.65 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.754 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.46 28.13 70.15 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' B' ' 45' ' ' PHE . 29.8 tttp -122.29 116.97 25.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.77 0.319 . . . . 0.0 110.42 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.415 HE21 HH21 ' B' ' 42' ' ' ARG . 85.5 mt-30 -59.34 119.74 8.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.538 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.537 ' HB3' HD13 ' B' ' 23' ' ' ILE . 6.7 mp -66.12 85.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.506 ' O ' HD12 ' B' ' 23' ' ' ILE . 28.4 mt-10 -48.06 127.55 12.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.644 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -55.01 -30.99 60.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.086 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.64 41.96 2.6 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.366 -0.693 . . . . 0.0 111.366 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -146.87 163.84 34.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.845 0.355 . . . . 0.0 110.405 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.508 ' O ' ' CE2' ' B' ' 59' ' ' TYR . 3.2 p -99.8 177.07 5.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.135 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.588 ' N ' HD12 ' B' ' 56' ' ' LEU . 8.2 mp -80.05 -49.26 12.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.828 0.347 . . . . 0.0 110.532 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 29.4 t -53.92 -28.37 36.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.743 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -50.57 -44.98 56.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.268 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.526 ' OH ' HD11 ' B' ' 23' ' ' ILE . 0.7 OUTLIER -86.68 -41.54 14.11 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.847 -179.625 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ASN . . . . . 0.474 ' CG ' ' N ' ' B' ' 61' ' ' ILE . 5.4 t-20 172.23 -95.75 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.365 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.54 HD13 ' O ' ' B' ' 56' ' ' LEU . 5.1 mp 39.29 87.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.628 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.418 ' O ' ' O ' ' B' ' 63' ' ' LYS . 6.2 pt20 -102.37 62.51 0.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.574 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' B' ' 62' ' ' GLN . 16.7 ttpt 60.28 137.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.713 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 50.78 48.81 22.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.525 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.0 t -103.37 158.42 16.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.551 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.2 m -97.82 139.92 32.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.522 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 4.8 mp -131.93 146.48 52.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.512 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -93.18 144.44 25.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.7 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.451 HD13 ' CG1' ' B' ' 5' ' ' VAL . 2.7 tp -125.69 110.06 13.32 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.389 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 5.0 t -103.92 119.35 52.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.36 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.6 mp -84.6 125.72 32.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.789 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.45 HH11 ' CB ' ' B' ' 72' ' ' ARG . 0.0 OUTLIER -81.31 128.58 33.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.174 179.576 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 12.4 mt -113.51 133.44 55.23 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.732 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 41.9 mtt85 -74.01 -178.25 3.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.437 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' GLY . . . . . 0.445 ' O ' ' NE2' ' A' ' 46' ' ' GLN . . . 61.31 176.8 2.06 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.719 0 CA-C-O 118.033 -1.426 . . . . 0.0 110.88 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 39.4 mt -61.84 -19.91 63.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.614 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.469 ' HD2' ' H ' ' A' ' 4' ' ' LYS . 1.5 mptp? -70.6 -49.53 46.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.61 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.413 ' H ' ' HD2' ' A' ' 5' ' ' ARG . 0.9 OUTLIER -74.98 -44.59 47.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.64 -179.841 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 84.0 mt -53.18 -42.72 47.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.575 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.422 ' O ' ' OD1' ' A' ' 7' ' ' ASN . 57.1 t-20 -67.92 -19.89 65.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.577 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -60.98 -47.03 88.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.556 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -65.33 -43.06 92.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.555 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 tp -49.96 -28.09 6.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.381 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.7 t -60.11 -49.13 78.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.447 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -71.01 -22.06 62.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.496 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 tp -77.13 -29.11 54.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.642 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.86 -18.47 32.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.729 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.26 -54.27 2.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.589 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -135.18 82.87 40.51 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.812 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -80.34 164.38 21.67 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.487 2.124 . . . . 0.0 111.867 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -51.41 127.98 24.15 Favored 'Trans proline' 0 C--N 1.31 -1.474 0 C-N-CA 122.372 2.048 . . . . 0.0 111.99 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.06 -43.92 50.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.608 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -77.21 -56.1 4.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.623 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.0 m -93.99 -155.91 0.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.711 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.0 m -170.45 167.26 8.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.487 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -157.33 175.99 13.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.597 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.25 119.83 0.51 Allowed Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.671 -0.971 . . . . 0.0 110.671 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -44.77 142.65 4.86 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 122.163 1.909 . . . . 0.0 112.097 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.418 ' C ' ' N ' ' A' ' 28' ' ' ASP . 21.2 t -77.23 143.16 13.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.552 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.69 -13.03 0.74 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.418 ' N ' ' C ' ' A' ' 26' ' ' VAL . 13.7 t70 -71.13 -63.22 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 110.379 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -170.16 176.79 4.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.399 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.429 ' O ' ' CD1' ' A' ' 33' ' ' TRP . 11.9 mtp -75.97 -18.7 59.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.71 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -63.71 -44.47 93.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.293 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -99.0 121.14 40.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.337 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.429 ' CD1' ' O ' ' A' ' 30' ' ' MET . 7.3 m95 -111.51 171.33 7.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.967 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -131.86 175.04 9.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.525 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -157.54 161.02 38.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.568 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.2 m -146.08 123.91 11.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.473 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 95.1 mt -135.33 142.46 39.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.729 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.3 ttt -103.17 145.19 30.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.147 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.56 143.61 46.39 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.31 -168.96 0.42 Allowed 'Trans proline' 0 N--CA 1.493 1.474 0 C-N-CA 122.494 2.13 . . . . 0.0 112.047 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -96.69 32.68 2.01 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.551 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -155.19 43.7 0.47 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.616 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.5 m -157.09 126.86 3.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.32 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.491 ' C ' ' H ' ' A' ' 46' ' ' GLN . 85.7 Cg_exo -41.44 -36.39 2.82 Favored 'Trans proline' 0 N--CA 1.491 1.328 0 C-N-CA 122.284 1.989 . . . . 0.0 112.329 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -60.63 -0.43 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.742 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.491 ' H ' ' C ' ' A' ' 44' ' ' PRO . 10.2 tt0 -46.11 131.62 9.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.455 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.437 ' HA2' ' H ' ' B' ' 73' ' ' LEU . . . 86.03 40.4 7.56 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -147.03 172.22 27.55 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.8 t -129.51 138.44 54.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.799 0.333 . . . . 0.0 110.477 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -104.72 159.23 15.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.711 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -140.09 131.62 27.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.17 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.533 HD21 ' CE2' ' A' ' 69' ' ' PHE . 3.3 mp -137.36 148.14 46.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.74 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.8 m -112.87 141.63 46.46 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.254 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.9 mp -118.9 119.48 61.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.624 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 49.4 t60 -104.58 121.5 43.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.447 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -95.9 150.05 36.81 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.393 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -59.23 145.37 98.0 Favored 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 122.034 1.823 . . . . 0.0 111.282 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.3 p -81.12 9.13 7.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.114 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.651 ' O ' ' CG ' ' A' ' 60' ' ' TYR . 23.5 m-20 -117.76 -13.84 10.15 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.437 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.651 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 2.2 m-85 152.52 157.94 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.626 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.62 7.53 3.45 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.543 2.162 . . . . 0.0 113.232 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -87.87 -25.98 23.0 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.319 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -73.94 145.31 83.66 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.246 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -52.45 119.46 5.92 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.196 1.931 . . . . 0.0 112.087 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -79.12 172.07 15.37 Favored 'Trans proline' 0 N--CA 1.491 1.33 0 C-N-CA 122.377 2.051 . . . . 0.0 112.022 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -125.78 96.7 4.86 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.725 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.1 t -91.24 148.1 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.493 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -146.76 145.44 29.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.514 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.533 ' CE2' HD21 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -86.05 114.86 23.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.386 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.6 p -74.68 -48.1 27.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.822 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.8 m -70.39 157.43 37.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.572 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -82.27 93.09 7.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.454 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.1 tp -103.18 152.72 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.335 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -135.61 78.49 1.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.47 ' O ' ' O ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -124.17 147.03 53.33 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.317 -179.834 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -44.24 -63.67 0.31 Allowed 'Trans proline' 0 C--N 1.311 -1.408 0 C-N-CA 122.471 2.114 . . . . 0.0 112.692 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -77.69 8.95 3.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.583 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.47 ' O ' ' O ' ' A' ' 75' ' ' HIS . 6.4 mm -132.75 115.88 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 120.944 0.402 . . . . 0.0 110.555 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.489 HD21 HG22 ' A' ' 120' ' ' VAL . 10.0 t-20 -90.57 148.74 22.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.478 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.1 m -76.71 -1.52 28.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.579 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -86.94 -7.79 57.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.653 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.55 -2.84 42.57 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.7 m -77.36 94.23 4.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.821 0.343 . . . . 0.0 110.598 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 55.7 mt -99.87 108.44 22.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.503 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.412 ' SG ' HD23 ' A' ' 119' ' ' LEU . 11.9 t -70.11 117.27 11.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.753 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.1 mt -145.7 145.51 30.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.507 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -69.14 -52.02 32.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.954 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.507 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.1 OUTLIER -52.71 -21.09 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.719 -179.631 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.57 24.9 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.896 0.379 . . . . 0.0 110.306 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 61.5 mtt-85 -139.25 -103.01 0.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.483 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.497 ' C ' ' H ' ' A' ' 93' ' ' TRP . 10.2 t -98.06 -28.02 13.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.862 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -73.35 29.03 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.65 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.497 ' H ' ' C ' ' A' ' 91' ' ' SER . 70.3 t-105 -95.24 154.95 16.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.632 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.7 m -165.46 142.03 4.57 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.493 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -74.19 -0.09 9.15 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.38 2.053 . . . . 0.0 112.179 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -98.65 -43.67 6.73 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.985 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.9 pp -43.98 151.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.661 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 t -98.84 149.45 22.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.1 tp -52.9 -27.73 12.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.0 m -63.4 -37.27 86.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.034 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.567 ' HB3' ' HZ2' ' A' ' 101' ' ' LYS . 2.2 ttpm? -57.77 -51.1 70.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.173 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.9 p -69.22 -33.95 60.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.91 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.69 -50.02 75.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.567 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.456 HD13 ' SG ' ' A' ' 107' ' ' CYS . 4.1 mm? -68.05 -30.23 69.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.555 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 49.8 m -56.74 -33.48 66.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.627 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 85.0 mt -70.99 -56.07 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.551 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.456 ' SG ' HD13 ' A' ' 104' ' ' LEU . 15.1 p -54.4 -28.02 40.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.647 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 25.7 m -70.39 -46.27 64.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.54 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.54 -46.71 83.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.276 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 110' ' ' LEU . 0.2 OUTLIER -46.95 -35.52 6.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.34 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 15.8 t -73.05 -54.85 7.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.704 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -99.95 107.59 47.46 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.524 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -79.5 -162.97 0.2 Allowed 'Trans proline' 0 C--N 1.313 -1.336 0 C-N-CA 122.331 2.021 . . . . 0.0 112.084 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -155.25 74.2 5.47 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.668 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -79.56 74.69 5.43 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.766 2.311 . . . . 0.0 112.006 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -163.78 -58.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.585 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -146.64 58.21 4.26 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.46 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -72.46 -163.83 0.16 Allowed 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.741 2.294 . . . . 0.0 112.112 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.567 HD13 ' O ' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -86.44 -37.87 17.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.562 -179.716 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.489 HG22 HD21 ' A' ' 79' ' ' ASN . 4.0 t -119.56 83.4 27.44 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.748 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo -53.57 -22.34 21.74 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.739 2.293 . . . . 0.0 112.282 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -61.92 -51.96 66.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.582 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 36.0 mt -72.17 -26.41 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.495 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.02 -41.96 85.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.716 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -55.11 -42.09 72.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.725 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 130' ' ' ASP . 36.1 mt -59.14 -56.18 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.549 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -57.5 -31.21 65.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.604 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -50.46 -45.33 56.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.442 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 34.9 p -136.02 -42.18 0.66 Allowed 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.296 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 126' ' ' ILE . 37.1 m-20 -75.72 93.02 3.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.834 0.35 . . . . 0.0 110.564 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.8 tpp85 -97.86 -29.97 13.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.596 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.538 ' O ' ' ND2' ' A' ' 135' ' ' ASN . 10.0 t70 -70.54 -36.75 73.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.668 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -81.79 -37.49 27.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.517 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 134' ' ' TYR . 32.6 t80 -52.05 -30.93 27.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 132' ' ' ASP . 18.6 p30 -83.05 -31.18 27.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.007 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.52 ' N ' ' OD1' ' A' ' 135' ' ' ASN . 16.9 ttm-85 -63.08 -50.06 72.05 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.653 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.555 HD12 ' N ' ' A' ' 137' ' ' ILE . 1.3 mp -63.53 -53.36 46.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 36.0 m -53.4 -53.57 49.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.384 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -55.23 -24.98 30.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.447 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -73.48 -50.04 23.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.758 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -78.25 1.14 22.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.826 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.614 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 28.8 m -76.47 -60.38 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.2 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -76.19 -31.85 58.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.11 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.22 -54.66 15.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.312 -179.198 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' TYR . . . . . 0.528 ' C ' ' H ' ' A' ' 147' ' ' MET . 83.3 m-85 -132.46 -33.06 1.28 Allowed 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.699 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 142' ' ' THR . . . -69.21 37.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.865 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' MET . . . . . 0.528 ' H ' ' C ' ' A' ' 145' ' ' TYR . 32.3 mtt . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.276 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 30.2 ttp . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -130.94 147.77 52.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.498 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.6 pt -143.53 158.5 16.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.47 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -94.02 139.94 30.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.532 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 16.6 t -132.99 102.77 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.327 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -98.33 127.93 44.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.654 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.9 m -92.8 156.25 17.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.458 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.2 tp -55.94 -21.95 23.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.422 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 19.4 p -70.52 -10.35 59.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.557 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.72 -16.82 59.83 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -64.4 151.08 45.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.791 0.329 . . . . 0.0 110.562 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.3 m -137.0 133.25 35.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.511 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 17.6 pt -151.02 147.01 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.57 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 17.2 p -85.52 148.1 26.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.556 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.444 HD23 ' H ' ' B' ' 16' ' ' GLU . 0.5 OUTLIER -124.0 139.16 54.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.478 -179.602 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.444 ' H ' HD23 ' B' ' 15' ' ' LEU . 88.3 mt-10 -88.26 115.24 25.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.516 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 9.8 m -146.86 -177.68 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.488 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -141.38 131.14 12.81 Favored Pre-proline 0 CA--C 1.532 0.251 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.314 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -44.71 -31.18 4.77 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 122.285 1.99 . . . . 0.0 112.503 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.0 m -83.63 -17.2 42.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.078 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -75.14 133.05 41.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.464 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.93 144.92 54.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.389 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.417 HD11 HH22 ' B' ' 54' ' ' ARG . 12.3 mt -60.52 -28.26 42.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.421 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' B' ' 25' ' ' ASN . 8.5 pt-20 -49.73 -39.24 36.58 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.538 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.429 ' N ' ' CG ' ' B' ' 24' ' ' GLU . 13.7 t-20 -75.88 -36.4 59.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.694 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 95.4 t -52.91 -34.0 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -67.02 -28.87 68.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.351 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.55 -36.05 52.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -80.33 -30.99 38.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.468 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 14.5 tt -74.2 -35.77 41.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.046 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.568 ' HA ' HD12 ' B' ' 36' ' ' ILE . 20.9 pt20 -71.29 -38.06 71.81 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.562 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -75.07 -28.83 60.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.705 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -71.01 -49.95 39.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.269 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -95.25 -37.33 11.06 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.122 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.21 28.17 6.59 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' B' ' 31' ' ' GLN . 0.6 OUTLIER -109.66 142.98 26.91 Favored Pre-proline 0 CA--C 1.533 0.311 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 179.906 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.04 132.0 13.66 Favored 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 122.515 2.144 . . . . 0.0 112.276 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -73.68 -11.12 23.98 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.45 2.1 . . . . 0.0 112.089 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -59.8 -23.8 63.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.325 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -130.04 -20.9 3.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.679 0.276 . . . . 0.0 111.027 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -85.94 82.64 8.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.342 . . . . 0.0 110.603 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 1.9 ptp85 -88.52 139.3 30.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.585 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.579 HD12 ' N ' ' B' ' 43' ' ' LEU . 7.8 mp -91.12 142.85 27.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.443 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.703 HD12 HG21 ' B' ' 70' ' ' VAL . 82.1 mt -136.0 142.29 39.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.666 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -133.6 125.4 28.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.306 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.38 28.94 17.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.636 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.73 28.1 61.7 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -135.79 129.84 33.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.842 0.353 . . . . 0.0 110.568 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -67.67 146.02 54.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.468 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.9 mt -87.83 159.9 18.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -108.59 139.09 43.85 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.255 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.7 OUTLIER -79.0 -27.14 43.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 -179.576 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.29 -64.89 3.41 Favored Glycine 0 CA--C 1.529 0.914 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.499 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.613 ' HE ' ' CB ' ' B' ' 58' ' ' ASP . 3.2 ptm180 -76.84 177.11 7.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.103 0.478 . . . . 0.0 111.813 -178.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.583 ' O ' ' NH2' ' B' ' 54' ' ' ARG . 0.6 OUTLIER -108.94 164.4 12.44 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.707 -179.777 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.515 HD22 HD12 ' B' ' 61' ' ' ILE . 12.5 mt -53.27 -14.95 0.8 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.3 t -57.13 -28.86 63.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.484 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.613 ' CB ' ' HE ' ' B' ' 54' ' ' ARG . 3.0 t0 -76.92 -45.33 28.27 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.203 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -72.45 -10.21 59.51 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.244 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 54.29 52.76 11.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.647 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.515 HD12 HD22 ' B' ' 56' ' ' LEU . 71.9 mt -91.22 95.53 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.585 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -54.31 -172.66 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.603 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -81.76 175.86 10.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.645 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.523 ' N ' ' OE1' ' B' ' 64' ' ' GLU . 0.4 OUTLIER 47.77 25.45 0.71 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.488 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 7.3 p -87.22 136.47 32.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.53 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 12.0 p -87.89 140.96 28.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.503 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.11 140.2 53.27 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.319 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -91.84 112.15 23.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.14 121.78 34.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.172 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.703 HG21 HD12 ' B' ' 44' ' ' ILE . 88.6 t -103.98 161.14 4.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.664 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.555 ' N ' HG12 ' B' ' 70' ' ' VAL . 14.8 tp -136.0 106.62 6.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.393 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -93.64 105.51 17.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.476 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.506 ' H ' HD12 ' B' ' 73' ' ' LEU . 4.0 mp -87.79 90.27 8.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.649 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.55 ' NE ' ' O ' ' B' ' 74' ' ' ARG . 0.0 OUTLIER -87.61 -46.91 9.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.296 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -153.35 -51.97 0.01 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.757 0 CA-C-O 118.009 -1.439 . . . . 0.0 110.906 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.466 HD21 ' CZ ' ' A' ' 31' ' ' PHE . 26.6 mt -65.72 -20.22 66.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.57 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.473 ' HD2' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -79.1 -54.76 5.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.684 -179.888 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.703 ' HE ' ' N ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -55.48 -52.73 62.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.597 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 84.9 mt -53.09 -50.37 45.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.633 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' A' ' 3' ' ' LEU . 4.6 m-20 -52.93 -26.17 14.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.627 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -66.58 -44.08 83.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.442 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -61.58 -25.09 67.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.491 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.567 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -73.73 -42.34 61.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.398 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.5 m -63.52 -36.11 82.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.46 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -72.68 -29.2 63.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.558 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 mt -62.34 -49.11 76.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.461 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.06 -40.67 52.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.75 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 -74.96 -11.33 60.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.567 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -170.96 74.15 0.55 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.583 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -62.26 133.6 44.39 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.737 2.291 . . . . 0.0 111.69 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -51.22 132.65 39.74 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 121.895 1.73 . . . . 0.0 111.508 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.12 -52.08 11.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.541 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.508 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 19.9 tt0 -84.27 6.86 21.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.317 -179.135 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.508 ' SG ' ' O ' ' A' ' 20' ' ' GLN . 44.3 m -153.95 -162.77 1.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.936 0.398 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.8 p -179.0 108.39 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.26 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.45 175.86 5.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.024 0.44 . . . . 0.0 110.951 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -176.07 136.67 3.37 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.533 -1.027 . . . . 0.0 110.533 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.86 143.28 32.97 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.329 2.02 . . . . 0.0 112.132 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.2 m -130.1 153.97 39.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.488 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.29 155.23 27.81 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -62.11 -24.5 67.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 110.457 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -95.34 157.01 16.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.66 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.402 ' HE2' ' HE1' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -90.49 6.79 42.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.389 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.466 ' CZ ' HD21 ' A' ' 3' ' ' LEU . 43.6 m-85 -81.24 -33.83 32.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.644 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -90.47 123.43 34.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.684 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.402 ' HE1' ' HE2' ' A' ' 30' ' ' MET . 4.4 m95 -127.02 173.43 9.66 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.882 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -146.56 175.16 10.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.803 0.335 . . . . 0.0 110.522 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.455 ' HB1' ' CD2' ' A' ' 103' ' ' LEU . . . -151.39 161.94 41.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.504 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.7 m -141.74 125.23 16.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.505 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 65.7 mt -130.27 139.8 50.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.562 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 19.6 ttm -104.18 152.79 21.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.459 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.533 ' O ' ' O ' ' A' ' 40' ' ' PRO . . . -68.16 124.35 19.54 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.533 ' O ' ' O ' ' A' ' 39' ' ' GLY . 82.4 Cg_exo -40.11 -109.88 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 122.689 2.259 . . . . 0.0 112.688 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.464 ' H ' ' HB2' ' A' ' 40' ' ' PRO . 64.3 m-80 -155.59 -68.15 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.78 0.324 . . . . 0.0 110.509 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -68.35 -6.92 26.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.553 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.406 ' C ' ' H ' ' A' ' 45' ' ' TYR . 4.9 m -81.91 151.17 66.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.414 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.92 38.4 0.31 Allowed 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.555 2.17 . . . . 0.0 112.09 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.406 ' H ' ' C ' ' A' ' 43' ' ' SER . 97.5 m-85 -141.73 27.1 1.86 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.578 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -48.9 116.89 1.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.595 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.8 43.94 26.69 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -107.69 115.72 4.63 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 m -106.8 109.86 29.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.93 0.395 . . . . 0.0 110.506 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.508 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 2.6 m-85 -104.13 160.84 14.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.531 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -140.17 111.92 7.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.753 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.2 pp -114.45 148.77 37.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.122 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -94.92 157.12 16.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.772 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.4 mt -131.61 115.48 28.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.148 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -112.31 127.74 56.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.586 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -108.62 104.79 55.46 Favored Pre-proline 0 CA--C 1.53 0.211 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.737 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -56.66 167.97 2.57 Favored 'Trans proline' 0 N--CA 1.492 1.432 0 C-N-CA 121.98 1.787 . . . . 0.0 111.363 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.448 ' H ' HG22 ' A' ' 58' ' ' THR . 0.0 OUTLIER -60.61 -40.83 93.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.95 0.405 . . . . 0.0 110.155 179.667 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -86.73 23.57 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.231 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.602 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 19.6 t80 -59.46 -37.49 51.87 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.555 -179.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 60' ' ' TYR . 31.7 Cg_exo -57.82 -11.74 10.24 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.022 1.815 . . . . 0.0 112.023 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -123.47 -49.01 1.92 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -91.18 146.34 33.34 Favored Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.11 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -53.32 167.34 0.84 Allowed 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 122.349 2.033 . . . . 0.0 111.873 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -85.01 172.11 8.86 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.837 2.358 . . . . 0.0 112.19 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 42.6 tttm -114.39 82.14 1.66 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.229 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.6 t -81.33 148.07 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.704 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -147.44 125.68 12.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.611 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -86.4 115.81 24.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.284 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.7 p -79.13 -48.18 14.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.124 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.3 m -64.69 97.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.735 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.3 mtp85 -49.85 113.07 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.407 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.436 HG23 ' O ' ' A' ' 73' ' ' ILE . 13.2 tt -134.15 128.9 53.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.341 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.08 94.9 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.968 0.413 . . . . 0.0 110.097 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.526 ' CD2' ' HD2' ' A' ' 76' ' ' PRO . 5.0 t-160 -145.37 117.54 5.22 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.972 -179.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.534 ' C ' ' H ' ' A' ' 78' ' ' ILE . 81.6 Cg_exo -41.64 -51.46 4.32 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 122.319 2.013 . . . . 0.0 112.716 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -63.93 7.07 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.82 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.534 ' H ' ' C ' ' A' ' 76' ' ' PRO . 7.1 mt -147.88 129.19 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.922 0.391 . . . . 0.0 110.833 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 42.3 p30 -99.94 -164.19 1.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.471 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 75.1 m -76.67 -7.48 55.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.466 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -90.31 -16.09 29.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.614 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.407 ' O ' ' CD1' ' A' ' 84' ' ' ILE . . . 91.88 -7.27 79.25 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 53.1 m -54.94 118.13 4.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.716 0.293 . . . . 0.0 110.432 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.41 HD12 ' H ' ' A' ' 84' ' ' ILE . 3.4 mp -104.76 123.33 58.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.733 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 67.2 m -93.77 113.04 25.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.331 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.1 mt -123.83 175.59 6.81 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.527 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -69.14 -52.31 29.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.428 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.735 ' N ' HD13 ' A' ' 88' ' ' ILE . 0.2 OUTLIER -64.09 -31.86 55.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.034 -179.468 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.65 36.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.515 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.469 ' H ' ' C ' ' A' ' 88' ' ' ILE . 74.4 mtt180 -150.61 -120.16 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.546 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.497 ' C ' ' H ' ' A' ' 93' ' ' TRP . 16.1 p -85.89 -29.83 23.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.666 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.421 ' CD ' ' O ' ' A' ' 92' ' ' GLN . 0.0 OUTLIER -75.18 29.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.274 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.588 ' CE3' HD21 ' A' ' 97' ' ' LEU . 75.9 t-105 -87.81 155.96 19.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.773 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.54 ' O ' HD23 ' A' ' 97' ' ' LEU . 3.3 m -168.73 136.54 1.67 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.218 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -68.82 2.1 3.3 Favored 'Trans proline' 0 C--N 1.31 -1.462 0 C-N-CA 122.035 1.823 . . . . 0.0 112.027 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.05 -36.49 12.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.526 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.588 HD21 ' CE3' ' A' ' 93' ' ' TRP . 2.3 pp -53.8 152.1 5.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.587 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.3 p -107.68 174.0 6.07 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.937 0.399 . . . . 0.0 110.801 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.3 mm -87.42 -20.69 7.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.452 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.2 m -57.82 -48.69 79.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.785 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.63 -34.73 76.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 69.0 t -52.5 -33.93 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.485 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.455 ' CD2' ' HB1' ' A' ' 35' ' ' ALA . 19.1 mt -61.22 -42.43 98.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.156 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 15.2 mt -67.3 -36.05 80.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.37 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.2 m -52.1 -45.99 65.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.514 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 69.9 mt -68.03 -42.77 85.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.421 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.4 ' SG ' ' OE1' ' A' ' 20' ' ' GLN . 6.4 t -59.88 -50.44 73.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.391 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.0 t -51.92 -45.71 64.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.464 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -64.05 -52.02 61.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.156 179.831 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.5 tp -54.14 -26.03 25.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.463 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 9.5 t -68.92 -43.05 75.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.521 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -146.28 129.69 8.28 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.335 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -76.4 -163.65 0.21 Allowed 'Trans proline' 0 N--CA 1.492 1.422 0 C-N-CA 122.286 1.991 . . . . 0.0 112.124 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.571 ' O ' ' O ' ' A' ' 115' ' ' PRO . 13.5 t-20 -161.78 118.53 1.34 Allowed Pre-proline 0 CA--C 1.533 0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.319 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.571 ' O ' ' O ' ' A' ' 114' ' ' ASN . 96.9 Cg_exo -42.34 -118.22 0.0 OUTLIER 'Trans proline' 0 N--CA 1.497 1.73 0 C-N-CA 122.687 2.258 . . . . 0.0 112.804 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 116' ' ' ASP . 0.5 OUTLIER 59.73 -152.57 0.39 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.841 0.353 . . . . 0.0 110.722 -179.761 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -135.15 71.04 68.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.07 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -61.94 -151.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.985 2.457 . . . . 0.0 112.323 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.2 mt -55.18 -59.13 5.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.86 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.8 t -117.95 84.27 20.71 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.803 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -50.56 -19.76 5.38 Favored 'Trans proline' 0 C--N 1.309 -1.543 0 C-N-CA 122.664 2.242 . . . . 0.0 112.21 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -61.84 -52.06 65.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.464 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 79.0 mt -57.38 -41.47 78.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.511 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.98 -36.09 81.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.553 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -56.25 -34.21 66.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.426 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 65.0 mt -74.1 -47.26 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.293 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -60.09 -30.74 69.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.733 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.02 -68.12 0.2 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.016 -178.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.53 HG23 ' N ' ' A' ' 130' ' ' ASP . 14.5 t -109.95 -42.28 4.26 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.733 0.302 . . . . 0.0 111.234 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.53 ' N ' HG23 ' A' ' 129' ' ' THR . 1.6 m-20 -76.33 81.53 3.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.732 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.449 ' HE ' ' HA ' ' A' ' 131' ' ' ARG . 0.1 OUTLIER -89.92 -32.12 16.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.301 179.743 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -55.19 -49.03 72.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.632 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -70.34 -49.44 49.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.447 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -48.08 -31.25 5.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.441 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -72.03 -32.57 67.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.617 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -69.74 -50.11 46.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.765 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.569 HD12 ' N ' ' A' ' 137' ' ' ILE . 1.5 mp -61.47 -55.02 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.585 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' SER . . . . . 0.432 ' O ' ' OG1' ' A' ' 142' ' ' THR . 38.9 m -52.41 -41.15 62.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.287 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 31.4 ttt85 -77.55 -26.49 50.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.296 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' A' ' 140' ' ' GLU . 0.0 OUTLIER -73.58 -50.11 22.91 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.642 -179.738 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -71.42 1.32 6.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.953 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.619 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 97.4 m -78.0 -60.24 2.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.876 0.369 . . . . 0.0 111.149 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -69.65 -31.79 70.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.422 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -52.58 -50.27 63.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.787 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' TYR . . . . . 0.462 ' C ' ' H ' ' A' ' 147' ' ' MET . 44.8 m-85 -133.21 -33.12 1.15 Allowed 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 120.594 -0.442 . . . . 0.0 112.063 -178.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 142' ' ' THR . . . -69.53 43.75 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.981 -179.177 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' MET . . . . . 0.462 ' H ' ' C ' ' A' ' 145' ' ' TYR . 4.9 mmt . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.229 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.9 tpp . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -73.62 105.91 5.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.435 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 37.2 pt -124.26 159.79 29.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.654 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -97.06 142.33 29.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.263 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 76.4 t -129.84 103.04 7.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.394 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -90.14 155.09 19.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.514 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 6.0 m -132.69 160.96 35.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.502 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.593 ' O ' HD23 ' B' ' 8' ' ' LEU . 0.9 OUTLIER -56.06 -39.14 71.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.485 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.479 ' C ' ' H ' ' B' ' 11' ' ' LYS . 20.5 p -75.21 19.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' B' ' 8' ' ' LEU . . . 74.56 -21.69 1.48 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.479 ' H ' ' C ' ' B' ' 9' ' ' THR . 5.8 tmtm? -44.11 115.91 0.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.716 0.293 . . . . 0.0 110.387 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -135.78 122.78 21.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.729 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 12.3 pt -151.03 145.3 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.419 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.96 139.92 57.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.377 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.484 HD12 ' HD2' ' B' ' 33' ' ' LYS . 0.8 OUTLIER -116.67 165.13 13.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.555 -179.747 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -117.33 119.79 36.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.197 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.415 HG12 ' N ' ' B' ' 18' ' ' GLU . 3.7 t -133.4 161.25 41.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.939 0.399 . . . . 0.0 110.961 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' B' ' 20' ' ' SER . 3.5 tp10 -104.17 124.74 36.42 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.051 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -44.86 -10.73 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 122.226 1.951 . . . . 0.0 112.465 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.541 ' N ' ' O ' ' B' ' 18' ' ' GLU . 4.4 m -112.03 -17.2 12.91 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.894 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' B' ' 18' ' ' GLU . 18.9 m-20 -62.55 136.21 57.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 110.379 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.2 p -81.79 176.49 9.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.607 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.569 HG22 ' NZ ' ' B' ' 27' ' ' LYS . 7.6 mm -75.0 -20.16 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.721 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -70.15 -32.42 70.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.938 0.399 . . . . 0.0 110.121 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -85.31 -44.11 13.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.042 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -52.74 -33.95 19.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.246 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.569 ' NZ ' HG22 ' B' ' 23' ' ' ILE . 35.6 mttp -62.8 -31.27 72.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.9 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.15 -27.66 53.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.66 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -76.1 -29.61 57.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.05 -179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.657 HD13 HD12 ' B' ' 69' ' ' LEU . 90.1 mt -75.51 -52.35 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.732 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -57.34 -29.94 64.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 110.352 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -75.2 -29.0 60.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.727 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.484 ' HD2' HD12 ' B' ' 15' ' ' LEU . 25.1 ttmt -100.45 -17.64 17.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.26 -179.31 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' B' ' 30' ' ' ILE . 33.7 mt-10 -108.46 -36.98 6.08 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 121.111 -0.236 . . . . 0.0 110.602 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.67 -22.21 34.56 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.408 HG21 HD13 ' B' ' 36' ' ' ILE . 4.2 pt -61.69 114.96 12.68 Favored Pre-proline 0 CA--C 1.533 0.326 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.376 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.35 142.0 38.85 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.163 1.909 . . . . 0.0 112.344 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.483 ' C ' ' H ' ' B' ' 40' ' ' GLN . 72.3 Cg_exo -43.08 -39.62 8.28 Favored 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 122.702 2.268 . . . . 0.0 112.755 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -55.18 -1.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.733 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.483 ' H ' ' C ' ' B' ' 38' ' ' PRO . 59.6 mt-30 -126.22 -1.81 6.99 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 121.001 -0.279 . . . . 0.0 111.159 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.68 HE21 ' N ' ' B' ' 41' ' ' GLN . 0.0 OUTLIER -76.98 121.19 23.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.961 0.41 . . . . 0.0 111.491 -179.371 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -145.36 105.3 4.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.719 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.508 ' N ' HD22 ' B' ' 43' ' ' LEU . 3.7 mm? -85.86 139.71 31.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.101 0.476 . . . . 0.0 111.097 -179.148 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' B' ' 49' ' ' GLN . 2.4 tp -137.97 131.76 42.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.917 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -139.54 137.05 35.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.612 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.92 37.97 25.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.54 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.43 15.07 58.69 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -126.26 137.02 53.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.805 0.336 . . . . 0.0 110.501 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.462 ' HA ' HD12 ' B' ' 44' ' ' ILE . 19.3 pt20 -74.53 142.0 44.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.499 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.788 ' N ' HD12 ' B' ' 50' ' ' LEU . 4.7 mp -87.91 132.89 34.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.592 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -61.33 148.29 41.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.291 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -68.98 -24.75 64.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.857 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -117.72 73.29 0.29 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.475 ' CB ' ' OH ' ' B' ' 59' ' ' TYR . 1.8 mmt-85 -153.27 144.89 23.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.789 0.328 . . . . 0.0 110.194 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.46 ' OG1' ' OD2' ' B' ' 58' ' ' ASP . 6.9 p -91.65 147.43 23.01 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.178 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.599 HD12 HG13 ' B' ' 61' ' ' ILE . 1.9 mm? -58.65 -36.9 74.86 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.687 -0.405 . . . . 0.0 109.954 -179.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 30.9 t -55.83 -29.06 59.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.607 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.46 ' OD2' ' OG1' ' B' ' 55' ' ' THR . 64.1 m-20 -64.27 -45.12 89.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.673 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.475 ' OH ' ' CB ' ' B' ' 54' ' ' ARG . 24.6 m-85 -80.32 -1.39 40.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.427 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 56.52 69.32 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.929 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.599 HG13 HD12 ' B' ' 56' ' ' LEU . 30.9 mm -81.23 166.56 2.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.256 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.575 ' N ' HG22 ' B' ' 61' ' ' ILE . 74.1 mt-30 -124.31 158.18 33.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.468 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.71 ' HZ2' ' CD ' ' B' ' 64' ' ' GLU . 4.9 ttpp -56.19 144.97 27.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.276 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.71 ' CD ' ' HZ2' ' B' ' 63' ' ' LYS . 7.3 mp0 55.6 29.41 13.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.402 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.1 t -52.6 168.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.556 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.9 m -130.19 110.7 11.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.647 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -122.42 155.42 36.13 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.126 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -110.51 144.56 39.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.328 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.657 HD12 HD13 ' B' ' 30' ' ' ILE . 5.5 tt -122.65 118.41 28.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.667 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.623 ' N ' HD23 ' B' ' 69' ' ' LEU . 17.1 m -104.94 136.21 39.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.329 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 24.9 mt -84.23 115.66 22.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.527 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.441 ' HG2' ' H ' ' B' ' 72' ' ' ARG . 13.0 ptm180 -85.67 121.21 28.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.444 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 2.8 mp -112.35 144.77 41.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.447 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -108.43 -88.48 0.48 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.603 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 170.25 177.79 40.7 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.779 0 CA-C-O 118.013 -1.437 . . . . 0.0 110.967 -179.966 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.757 HD22 ' N ' ' A' ' 3' ' ' LEU . 2.6 mm? -58.6 -36.92 74.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.216 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.3 pttt -79.13 -49.22 12.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.747 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -57.44 -55.36 35.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.801 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.4 mt -53.02 -38.92 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.566 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -66.3 -19.86 65.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.615 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.86 -50.08 74.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.437 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -67.11 -34.7 78.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.639 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.59 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -57.04 -37.95 72.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.512 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.8 t -59.94 -50.34 74.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.66 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -73.74 -21.98 60.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.575 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.7 tp -76.84 -48.61 17.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.658 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.66 -60.79 2.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.779 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.2 mtp-105 -44.67 -38.45 4.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.769 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -161.57 90.8 1.47 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.653 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -79.21 150.65 22.9 Favored 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 122.305 2.004 . . . . 0.0 111.893 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -51.65 127.83 24.09 Favored 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 122.166 1.911 . . . . 0.0 111.926 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.11 -35.26 61.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.546 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -59.36 -25.84 64.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.716 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.2 p -161.99 137.28 7.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.805 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 t -88.46 149.97 23.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.336 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.422 ' HB1' ' O ' ' A' ' 34' ' ' GLN . . . -163.8 159.16 20.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.74 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.9 154.14 11.2 Favored Glycine 0 CA--C 1.528 0.871 0 N-CA-C 110.811 -0.915 . . . . 0.0 110.811 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -73.23 148.03 43.27 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 122.61 2.207 . . . . 0.0 112.09 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.7 t -85.55 131.6 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.486 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 52.42 -167.52 0.93 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -78.44 -1.59 34.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 110.589 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -71.16 101.49 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.544 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.525 ' O ' ' CG ' ' A' ' 31' ' ' PHE . 1.9 mmt -84.49 81.19 8.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.409 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.525 ' CG ' ' O ' ' A' ' 30' ' ' MET . 38.7 m-85 -163.85 -39.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.703 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -101.65 120.77 40.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.881 0.372 . . . . 0.0 110.841 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -117.51 155.66 29.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.759 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.422 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 3.0 pt20 -146.07 170.87 15.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.771 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -159.8 175.73 12.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.436 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.2 t -146.04 154.46 41.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.621 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.9 mt -142.09 136.92 30.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.539 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.494 ' SD ' ' O ' ' B' ' 71' ' ' LEU . 10.5 ttp -107.96 148.74 29.27 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.639 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 41' ' ' ASN . . . -47.37 109.16 0.38 Allowed Glycine 0 CA--C 1.531 1.079 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.512 ' CB ' ' SG ' ' A' ' 111' ' ' CYS . 77.0 Cg_exo -47.24 -6.9 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.309 2.006 . . . . 0.0 112.308 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.539 ' N ' ' O ' ' A' ' 39' ' ' GLY . 2.7 m-20 74.34 48.45 0.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.554 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 2.3 m-20 -155.06 -47.21 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.352 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.89 162.78 48.73 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.215 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.513 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 37.5 Cg_endo -67.54 76.57 0.53 Allowed 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.562 2.175 . . . . 0.0 112.016 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.513 ' CD2' ' O ' ' A' ' 44' ' ' PRO . 3.3 m-85 -175.54 15.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -52.66 133.02 36.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.654 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.89 -0.56 88.27 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -90.85 111.43 3.95 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.405 ' O ' HG23 ' A' ' 49' ' ' VAL . 32.6 m -86.22 131.28 34.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.743 0.306 . . . . 0.0 110.367 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -113.24 146.44 39.32 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.746 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -131.66 135.13 46.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.186 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.3 pp -138.28 130.66 28.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.548 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.533 HG22 ' N ' ' A' ' 54' ' ' ILE . 29.0 m -95.04 163.34 13.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.417 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.564 HG22 ' N ' ' A' ' 55' ' ' HIS . 63.0 mt -128.61 162.64 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.237 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.564 ' N ' HG22 ' A' ' 54' ' ' ILE . 93.9 m-70 -145.39 106.19 4.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.578 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -80.74 140.22 50.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.224 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -73.95 157.69 46.88 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.421 2.081 . . . . 0.0 112.029 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.5 p -79.76 0.05 32.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.336 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.479 ' C ' ' CG ' ' A' ' 60' ' ' TYR . 1.2 m-20 -109.34 23.11 14.94 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.523 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 62' ' ' PHE . 4.6 m-85 74.33 149.86 0.13 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.581 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.475 ' O ' ' N ' ' A' ' 63' ' ' LYS . 96.0 Cg_exo -37.71 -23.05 0.05 OUTLIER 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 122.59 2.193 . . . . 0.0 112.306 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 60' ' ' TYR . 16.3 m-85 -45.19 -17.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.236 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 61' ' ' PRO . 12.8 mttt -107.16 139.29 20.31 Favored Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.263 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -52.57 117.86 4.1 Favored 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 122.023 1.816 . . . . 0.0 111.773 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -79.01 146.53 20.4 Favored 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 122.222 1.948 . . . . 0.0 111.999 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -88.19 139.02 30.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.798 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.5 t -137.13 143.44 34.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.013 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -140.79 170.88 14.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.995 0.426 . . . . 0.0 110.897 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.472 ' H ' ' HA3' ' A' ' 82' ' ' GLY . 0.1 OUTLIER -120.81 104.21 9.69 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.21 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.433 HG22 ' H ' ' A' ' 70' ' ' THR . 0.1 OUTLIER -66.03 -26.71 67.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.707 -179.78 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.1 m -87.02 143.36 27.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.675 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.2 mmt-85 -83.77 94.17 8.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.337 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.558 HG23 ' O ' ' A' ' 73' ' ' ILE . 3.3 tt -104.39 122.45 57.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.233 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -89.61 52.64 2.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.739 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -97.46 135.17 21.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.966 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -69.08 66.58 1.37 Allowed 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.104 1.869 . . . . 0.0 111.972 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.457 ' ND2' HD11 ' A' ' 109' ' ' LEU . 3.9 t-20 -173.86 -6.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.406 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 42.4 mt -132.64 128.37 57.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.369 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.664 ' ND2' ' H ' ' A' ' 80' ' ' SER . 0.4 OUTLIER -73.5 -159.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.707 -179.777 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.664 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 15.5 p -84.41 -37.1 21.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.744 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.476 ' ND2' ' OG ' ' A' ' 83' ' ' SER . 27.8 p-10 -72.94 1.46 8.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.5 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.472 ' HA3' ' H ' ' A' ' 69' ' ' PHE . . . 80.3 33.35 32.26 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.476 ' OG ' ' ND2' ' A' ' 81' ' ' ASN . 39.1 m -73.62 102.52 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 0.0 110.431 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.6 mt -91.9 127.76 43.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.592 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 85' ' ' CYS . 31.2 p -81.56 113.01 19.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.36 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.5 mt -133.87 111.35 10.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.337 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -59.44 -24.09 63.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.758 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.467 ' N ' HD13 ' A' ' 88' ' ' ILE . 3.4 mm -51.95 -47.61 41.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.44 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.487 HD12 ' N ' ' A' ' 89' ' ' LEU . 9.7 mp -53.15 -38.83 63.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.977 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 92' ' ' GLN . 61.6 mtp180 -65.64 -167.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.66 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.434 ' C ' ' H ' ' A' ' 93' ' ' TRP . 15.7 t -37.36 -26.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.218 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.526 ' N ' ' O ' ' A' ' 90' ' ' ARG . 27.1 mm-40 -77.32 28.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.649 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.434 ' H ' ' C ' ' A' ' 91' ' ' SER . 71.0 t-105 -105.38 102.95 12.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.564 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.545 ' O ' ' N ' ' A' ' 96' ' ' ALA . 1.0 OUTLIER -87.12 121.73 71.35 Favored Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.363 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -45.76 -9.52 0.04 OUTLIER 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 122.122 1.881 . . . . 0.0 112.167 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -145.08 67.48 1.24 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.466 ' H ' ' HG ' ' A' ' 97' ' ' LEU . 2.4 pp -104.01 150.54 24.15 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.426 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.54 ' O ' ' N ' ' A' ' 100' ' ' SER . 7.2 m -83.15 94.33 7.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.073 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 17.6 tt -38.63 -23.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.54 ' N ' ' O ' ' A' ' 98' ' ' THR . 97.2 p -53.07 -37.58 61.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.701 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -70.61 -36.38 73.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.858 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.1 t -57.61 -52.23 59.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.744 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.407 HD12 ' N ' ' A' ' 103' ' ' LEU . 10.0 mp -51.93 -46.78 64.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.529 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.03 -39.06 84.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.342 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.2 m -53.53 -41.23 66.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.36 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 86.9 mt -71.06 -34.48 55.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.517 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 47.6 t -65.04 -45.14 86.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.1 p -70.68 -24.93 62.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.642 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.457 HD11 ' ND2' ' A' ' 77' ' ' ASN . 32.5 tp -57.93 -47.57 82.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.68 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 110' ' ' LEU . 7.3 mp -73.96 -36.34 64.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.712 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.512 ' SG ' ' CB ' ' A' ' 40' ' ' PRO . 1.8 m -79.46 5.08 13.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.609 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -170.82 68.23 0.5 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.692 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.89 163.69 28.35 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.685 2.257 . . . . 0.0 111.946 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -145.27 72.99 14.46 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.524 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_exo -48.75 113.08 0.75 Allowed 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.792 2.328 . . . . 0.0 112.08 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -140.92 -93.5 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.488 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.462 ' N ' ' CD ' ' A' ' 118' ' ' PRO . 91.3 m-20 -133.06 53.04 9.78 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.62 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' A' ' 117' ' ' ASP . 56.9 Cg_endo -71.62 -174.23 1.22 Allowed 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.704 2.269 . . . . 0.0 111.997 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 30.0 mt -80.35 22.36 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.341 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 5.6 m -150.78 66.21 7.32 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.483 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -64.01 -21.31 68.41 Favored 'Trans proline' 0 C--N 1.307 -1.605 0 C-N-CA 122.49 2.127 . . . . 0.0 112.14 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.04 -40.4 75.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.42 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 56.0 mt -76.43 -26.04 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.335 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.25 -53.05 59.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.458 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -56.89 -50.38 72.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.606 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.429 ' O ' ' O ' ' A' ' 130' ' ' ASP . 71.0 mt -54.26 -47.89 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.948 0.404 . . . . 0.0 110.2 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.574 ' CZ ' ' CZ ' ' A' ' 131' ' ' ARG . 59.2 t80 -70.96 -31.42 67.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.693 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.61 -68.21 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.34 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.32 -42.23 3.96 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.67 0.271 . . . . 0.0 111.284 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 126' ' ' ILE . 11.5 t0 -74.94 66.89 1.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.982 0.42 . . . . 0.0 110.557 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.574 ' CZ ' ' CZ ' ' A' ' 127' ' ' TYR . 13.0 mmt180 -72.46 -39.87 67.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.568 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -49.95 -49.06 51.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.018 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -66.0 -49.61 67.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.507 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -47.87 -39.8 19.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.548 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -65.37 -35.33 80.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.472 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -63.49 -50.13 70.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.552 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.605 HD12 ' N ' ' A' ' 137' ' ' ILE . 1.5 mp -69.1 -37.12 76.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.325 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . 0.417 ' O ' ' OG1' ' A' ' 142' ' ' THR . 14.5 t -58.14 -44.0 87.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.818 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -78.95 -30.18 44.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.744 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.423 ' OE2' ' O ' ' A' ' 140' ' ' GLU . 3.0 tm-20 -72.17 -37.95 69.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.457 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -78.16 -4.04 45.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.483 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.714 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 6.5 m -77.85 -60.55 2.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.849 0.356 . . . . 0.0 110.506 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.497 ' OE1' ' SD ' ' A' ' 147' ' ' MET . 6.3 mm100 -64.83 -31.15 72.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.237 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 62.6 tttt -48.56 -54.57 13.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.817 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -133.23 -33.37 1.13 Allowed 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.513 -0.475 . . . . 0.0 112.221 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.714 ' HB3' ' O ' ' A' ' 142' ' ' THR . . . -53.44 -55.78 22.31 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.801 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . 0.497 ' SD ' ' OE1' ' A' ' 143' ' ' GLN . 4.1 mtt . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.549 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.441 ' O ' ' OE1' ' B' ' 16' ' ' GLU . 7.5 ptt? . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.532 ' NE2' ' O ' ' B' ' 15' ' ' LEU . 37.7 tp60 -122.88 143.55 49.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.633 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.3 pt -149.95 145.88 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.3 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.57 ' CE2' ' CG2' ' B' ' 14' ' ' THR . 25.6 m-85 -98.2 142.8 29.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.54 ' O ' HG23 ' B' ' 5' ' ' VAL . 5.3 m -135.52 124.28 39.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.252 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -122.96 131.37 53.69 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.582 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.464 ' OG1' ' N ' ' B' ' 8' ' ' LEU . 0.0 OUTLIER -110.36 174.74 5.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.605 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.471 HD22 ' N ' ' B' ' 8' ' ' LEU . 3.8 mm? -61.09 -27.01 68.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.34 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . 0.421 ' OG1' HG23 ' B' ' 7' ' ' THR . 19.9 p -67.93 -4.93 14.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.538 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.68 -8.4 62.44 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.21 130.81 45.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.776 0.322 . . . . 0.0 110.423 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.8 m -137.01 124.94 22.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.356 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 9.0 pt -150.44 147.2 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.613 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.57 ' CG2' ' CE2' ' B' ' 4' ' ' PHE . 19.2 p -84.4 121.68 27.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.573 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.532 ' O ' ' NE2' ' B' ' 2' ' ' GLN . 11.1 mp -96.4 164.18 12.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.519 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' B' ' 1' ' ' MET . 43.5 mm-40 -117.67 126.77 53.09 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.22 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.442 HG22 ' N ' ' B' ' 18' ' ' GLU . 10.7 p -155.5 154.85 6.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.856 0.36 . . . . 0.0 110.776 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.442 ' N ' HG22 ' B' ' 17' ' ' VAL . 26.1 mt-10 -87.53 150.36 48.55 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.233 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.97 -15.32 43.3 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 122.57 2.18 . . . . 0.0 112.357 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.1 m -96.07 -16.95 21.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.751 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -57.3 169.99 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.342 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.499 ' H ' HD22 ' B' ' 25' ' ' ASN . 1.2 m -119.12 149.42 41.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.446 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 13.2 mm -50.84 -19.61 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.932 0.396 . . . . 0.0 110.417 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -72.52 -30.06 64.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.605 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.499 HD22 ' H ' ' B' ' 22' ' ' THR . 7.0 m-80 -85.07 -49.53 8.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.0 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 p -52.8 -35.29 21.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.845 0.355 . . . . 0.0 110.234 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -62.3 -28.85 70.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.988 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.35 -31.13 54.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.822 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.405 ' NZ ' ' CB ' ' B' ' 29' ' ' LYS . 6.6 mtpm? -80.0 -44.42 20.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.43 -179.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.466 HG23 ' N ' ' B' ' 31' ' ' GLN . 13.4 tt -59.83 -41.71 86.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.053 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' B' ' 35' ' ' GLY . 19.0 pt20 -65.4 -42.25 92.78 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.476 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -66.28 -28.82 69.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.903 0.382 . . . . 0.0 110.379 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.03 -62.9 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.88 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -81.53 -33.48 31.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.039 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . 106.71 -11.14 41.97 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 29.8 mt -67.91 132.07 92.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -68.49 161.19 46.05 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.127 1.885 . . . . 0.0 112.054 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.06 -34.09 38.94 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.779 2.319 . . . . 0.0 112.299 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -54.99 -38.43 67.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.623 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.587 HE22 HD23 ' B' ' 73' ' ' LEU . 8.3 mm-40 -91.61 -12.38 34.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.594 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -81.24 136.01 35.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.899 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.806 ' HE ' HD11 ' B' ' 44' ' ' ILE . 68.6 ttt180 -145.19 151.31 38.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.192 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.7 mt -125.76 122.64 36.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.866 0.365 . . . . 0.0 110.805 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.806 HD11 ' HE ' ' B' ' 42' ' ' ARG . 45.8 mm -123.69 154.84 30.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.136 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' B' ' 48' ' ' LYS . 25.7 t80 -159.46 114.33 2.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.539 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 45.52 31.14 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.578 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.87 27.93 44.11 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' B' ' 45' ' ' PHE . 69.7 mmtt -125.0 116.97 22.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.801 0.334 . . . . 0.0 110.451 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -81.01 131.74 35.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.563 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.578 ' N ' HD12 ' B' ' 50' ' ' LEU . 10.1 mp -82.07 134.11 35.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.611 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -83.81 153.63 23.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.42 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -65.67 -37.7 87.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -97.45 67.24 0.83 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -148.01 146.89 29.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.722 0.296 . . . . 0.0 110.28 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 28.5 p -98.86 149.06 23.3 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.487 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.52 HD22 ' N ' ' B' ' 56' ' ' LEU . 3.8 mm? -52.41 -45.45 65.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.599 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 12.8 t -58.48 -28.94 65.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.729 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -63.2 -45.09 93.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.742 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -83.34 -4.54 58.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.547 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . 0.41 ' O ' ' NE2' ' B' ' 62' ' ' GLN . 20.5 m120 44.09 55.17 5.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.504 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 36.3 mt -83.34 -6.35 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.628 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.527 ' OE1' ' N ' ' B' ' 62' ' ' GLN . 1.1 mp0 55.71 -170.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.527 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -99.74 166.17 11.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.712 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 53.99 48.27 21.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.786 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 13.3 p -105.1 168.11 9.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.547 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 85.0 m -121.41 109.0 14.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.545 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 17.9 mt -91.37 140.76 29.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.447 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -92.35 107.32 19.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.764 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.795 HD13 ' O ' ' B' ' 42' ' ' ARG . 3.8 mm? -89.25 136.2 33.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.272 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 58.4 t -128.6 143.01 42.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.461 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.494 ' O ' ' SD ' ' A' ' 38' ' ' MET . 15.0 mt -97.7 121.58 39.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.736 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 -91.28 85.84 5.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.166 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.587 HD23 HE22 ' B' ' 40' ' ' GLN . 5.5 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.592 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.8 mt -50.0 -19.95 0.83 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.373 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.439 ' HZ3' ' HB3' ' A' ' 4' ' ' LYS . 4.3 mmmm -75.86 -49.07 18.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.529 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -75.04 -35.86 61.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.613 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.4 mt -70.11 -49.02 58.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -52.88 -19.95 2.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.867 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.7 ttpp -67.27 -44.85 78.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.621 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.14 -34.2 65.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.478 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.586 HD12 ' CH2' ' A' ' 33' ' ' TRP . 1.2 tp -50.16 -40.46 46.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.494 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.3 t -59.94 -33.87 72.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.601 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -60.33 -32.77 71.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.68 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.6 mt -85.76 -12.99 49.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.662 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.83 -56.91 4.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.736 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.403 ' HG3' ' H ' ' A' ' 16' ' ' ASP . 0.8 OUTLIER -45.65 -48.65 14.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.643 -179.861 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.403 ' H ' ' HG3' ' A' ' 15' ' ' ARG . 13.7 t0 -176.39 100.51 0.24 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.358 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -80.95 150.65 18.26 Favored 'Trans proline' 0 C--N 1.312 -1.361 0 C-N-CA 122.32 2.014 . . . . 0.0 111.922 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -51.61 127.89 24.23 Favored 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 122.161 1.908 . . . . 0.0 112.108 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.22 -36.25 61.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.782 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -87.9 -3.94 58.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.7 m -151.03 62.58 0.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.787 0.327 . . . . 0.0 110.804 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.6 p -67.52 150.32 49.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.527 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -157.46 155.92 31.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.487 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -157.1 161.61 31.25 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.86 148.14 35.57 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.85 2.367 . . . . 0.0 112.208 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 26' ' ' VAL . 13.5 p -116.37 128.27 73.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.313 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.75 150.47 6.98 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -52.42 -29.79 26.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.791 0.329 . . . . 0.0 110.433 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 29' ' ' ASP . 10.5 p30 -79.74 141.63 36.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.525 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.409 ' C ' ' H ' ' A' ' 32' ' ' HIS . 0.8 OUTLIER -90.65 -9.12 48.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.545 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -62.79 -3.68 1.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.387 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.409 ' H ' ' C ' ' A' ' 30' ' ' MET . 1.1 t-80 -136.29 120.95 18.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.384 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.586 ' CH2' HD12 ' A' ' 10' ' ' LEU . 14.8 m95 -115.11 177.24 4.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.35 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.595 HE21 ' H ' ' A' ' 35' ' ' ALA . 1.5 mm100 -145.85 169.19 19.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.362 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.595 ' H ' HE21 ' A' ' 34' ' ' GLN . . . -167.04 145.97 5.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.347 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.6 m -135.38 148.43 49.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.01 0.433 . . . . 0.0 110.721 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.8 pt -150.85 174.02 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.473 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.508 ' SD ' ' O ' ' B' ' 71' ' ' LEU . 6.2 ttt -129.91 156.44 44.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.315 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 40' ' ' PRO . . . -84.63 114.58 3.95 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 39' ' ' GLY . 73.7 Cg_exo -46.15 179.24 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.241 1.96 . . . . 0.0 112.11 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.416 HD21 ' CD2' ' B' ' 73' ' ' LEU . 3.4 m-20 -71.12 -31.46 67.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.622 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -66.09 -23.12 66.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.571 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.542 ' O ' ' N ' ' A' ' 45' ' ' TYR . 5.9 p -96.71 110.83 55.2 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.406 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.507 ' C ' ' H ' ' A' ' 46' ' ' GLN . 71.5 Cg_exo -45.59 -9.78 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 122.264 1.976 . . . . 0.0 112.322 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.542 ' N ' ' O ' ' A' ' 43' ' ' SER . 48.7 m-85 -68.5 10.7 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.564 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.507 ' H ' ' C ' ' A' ' 44' ' ' PRO . 43.4 mt-30 -45.88 121.58 3.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.463 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.32 -28.28 16.73 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.31 165.36 53.9 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.408 ' O ' HG23 ' A' ' 49' ' ' VAL . 20.5 m -141.64 133.13 27.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.833 0.349 . . . . 0.0 110.603 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -101.55 161.31 13.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.572 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 70' ' ' THR . 31.2 m-85 -140.04 132.06 27.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.292 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.523 HD22 ' CE1' ' A' ' 69' ' ' PHE . 0.3 OUTLIER -137.44 136.3 37.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.441 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 m -108.03 139.94 41.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.543 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.404 HD12 ' N ' ' A' ' 54' ' ' ILE . 3.9 mp -105.13 153.94 6.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.42 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -143.32 116.57 9.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.498 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.452 ' CD1' ' N ' ' A' ' 56' ' ' PHE . 25.2 m-85 -89.18 147.53 38.66 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.367 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.25 154.44 41.32 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 C-N-CA 122.461 2.107 . . . . 0.0 111.91 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.7 p -71.04 -9.33 57.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.268 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.471 ' C ' ' CG ' ' A' ' 60' ' ' TYR . 54.4 t0 -97.44 22.51 8.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.571 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.529 ' O ' ' N ' ' A' ' 62' ' ' PHE . 3.2 m-85 72.05 149.76 0.13 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.575 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' A' ' 63' ' ' LYS . 95.9 Cg_exo -37.25 -24.26 0.05 OUTLIER 'Trans proline' 0 C--N 1.312 -1.384 0 C-N-CA 122.694 2.263 . . . . 0.0 112.311 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.529 ' N ' ' O ' ' A' ' 60' ' ' TYR . 22.5 m-85 -45.78 -15.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.415 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 61' ' ' PRO . 6.8 mptt -113.11 147.27 36.93 Favored Pre-proline 0 CA--C 1.534 0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.231 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -55.54 118.43 5.19 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 C-N-CA 122.196 1.931 . . . . 0.0 111.863 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -79.39 159.29 25.96 Favored 'Trans proline' 0 C--N 1.312 -1.378 0 C-N-CA 122.342 2.028 . . . . 0.0 112.113 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.9 mmtm -96.73 137.01 36.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.484 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 p -137.18 147.96 26.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.463 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -158.6 145.99 17.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.579 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.523 ' CE1' HD22 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -83.52 114.06 21.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.261 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 51' ' ' PHE . 7.6 m -62.53 -46.04 90.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.399 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.7 m -87.39 133.64 33.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.4 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -65.77 148.27 52.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.487 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.4 tt -153.86 137.92 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.389 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -94.79 31.82 1.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.44 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.492 ' O ' ' O ' ' A' ' 76' ' ' PRO . 71.0 t60 -94.64 133.08 27.34 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.374 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.525 ' C ' ' H ' ' A' ' 78' ' ' ILE . 73.0 Cg_exo -43.79 178.23 0.0 OUTLIER 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 122.314 2.01 . . . . 0.0 112.098 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.52 ' N ' ' OD1' ' A' ' 77' ' ' ASN . 1.0 OUTLIER 62.11 -3.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.72 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.525 ' H ' ' C ' ' A' ' 76' ' ' PRO . 47.6 mt -138.43 122.13 20.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.351 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.445 ' N ' ' OD1' ' A' ' 79' ' ' ASN . 1.4 m120 -98.11 -158.24 0.66 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.494 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.5 t -77.21 -18.48 57.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.513 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -81.98 -13.14 57.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.536 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.96 12.37 79.76 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.5 m -59.73 111.83 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.788 0.328 . . . . 0.0 110.503 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.3 mt -92.05 119.49 39.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.548 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 10.4 t -82.18 112.88 19.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.516 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.0 mt -146.95 137.6 23.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.25 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -69.15 -52.02 32.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.969 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.79 ' H ' HD12 ' A' ' 88' ' ' ILE . 0.7 OUTLIER -51.5 -37.33 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.538 -179.624 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -61.47 -35.56 77.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.188 179.819 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 92' ' ' GLN . 15.1 mtp-105 -74.75 -165.19 0.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.801 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.541 ' C ' ' H ' ' A' ' 93' ' ' TRP . 15.4 p -37.31 -30.39 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.379 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 90' ' ' ARG . 18.2 mm100 -71.93 29.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.635 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.541 ' H ' ' C ' ' A' ' 91' ' ' SER . 62.5 t-105 -98.69 102.93 14.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.421 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.4 m -90.11 141.18 27.64 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.569 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -74.07 0.46 8.37 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 122.464 2.109 . . . . 0.0 112.19 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -120.06 17.21 12.48 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.013 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.719 ' C ' HD12 ' A' ' 97' ' ' LEU . 3.7 pp -86.75 152.08 22.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.43 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.523 ' C ' ' H ' ' A' ' 100' ' ' SER . 38.7 p -94.38 125.83 39.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.357 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.3 tt -55.39 -3.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.653 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.523 ' H ' ' C ' ' A' ' 98' ' ' THR . 8.6 t -71.36 -61.05 1.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.651 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -35.71 61.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.468 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 94.0 t -57.33 -39.98 71.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.532 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.5 mt -68.0 -43.56 78.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.721 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.96 -29.5 68.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.291 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.9 t -67.28 -28.6 68.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.461 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.8 mm -71.09 -56.1 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.43 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 16.6 t -51.37 -56.07 15.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.733 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.1 t -51.54 -44.47 62.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.655 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.5 tp -49.79 -51.87 36.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.645 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.405 ' HG ' ' H ' ' A' ' 110' ' ' LEU . 61.6 mt -49.59 -50.67 41.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.654 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 15.7 p -82.85 5.08 22.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.762 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 113' ' ' PRO . 66.0 m-20 -143.45 74.21 17.21 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.608 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.454 ' O ' ' O ' ' A' ' 112' ' ' ASP . 44.2 Cg_exo -53.67 -156.73 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.618 0 C-N-CA 122.871 2.38 . . . . 0.0 112.021 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.81 HD22 ' H ' ' A' ' 117' ' ' ASP . 4.7 t30 -166.38 72.16 1.17 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.682 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.92 -30.06 37.75 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.842 2.361 . . . . 0.0 112.23 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' A' ' 117' ' ' ASP . 83.9 m-20 -65.81 -42.3 90.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.705 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.81 ' H ' HD22 ' A' ' 114' ' ' ASN . 84.0 m-20 -141.64 74.81 22.71 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.4 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.494 ' C ' ' H ' ' A' ' 120' ' ' VAL . 74.2 Cg_endo -79.56 -11.62 14.16 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.778 2.319 . . . . 0.0 112.06 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.1 tp 67.86 -9.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.763 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.602 HG22 ' H ' ' A' ' 123' ' ' ILE . 5.9 p -142.17 67.98 21.88 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.218 0.532 . . . . 0.0 110.408 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -43.93 -24.77 0.89 Allowed 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.844 2.363 . . . . 0.0 112.488 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -62.45 -49.99 73.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.556 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.602 ' H ' HG22 ' A' ' 120' ' ' VAL . 90.5 mt -78.12 -32.51 17.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.749 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.05 -40.75 87.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.872 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 45.0 mtp85 -54.79 -32.48 60.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.62 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 130' ' ' ASP . 39.4 mt -77.11 -56.1 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.474 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.569 ' CE1' ' CD ' ' A' ' 131' ' ' ARG . 58.3 t80 -56.12 -31.85 63.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.527 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -53.42 -68.04 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.002 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 27.3 p -99.17 -42.19 7.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.055 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 126' ' ' ILE . 28.4 m-20 -85.36 77.85 9.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.381 . . . . 0.0 110.579 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.569 ' CD ' ' CE1' ' A' ' 127' ' ' TYR . 15.5 tpp85 -88.62 -39.44 14.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.396 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -63.87 -49.01 74.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.685 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -64.93 -43.8 91.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.603 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -48.25 -43.91 32.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.743 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 131' ' ' ARG . 3.9 m120 -53.07 -46.04 68.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.671 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 56.3 ttt-85 -56.95 -40.37 76.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.743 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 9.1 mm -63.88 -35.54 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.661 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . 0.448 ' O ' ' OG1' ' A' ' 142' ' ' THR . 43.3 m -66.97 -58.93 3.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.674 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -54.84 -52.25 63.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.772 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -51.03 -45.39 61.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.703 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -75.9 -28.25 57.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.584 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 138' ' ' SER . 34.3 m -64.41 -19.16 65.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.766 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.426 ' O ' ' O ' ' A' ' 147' ' ' MET . 37.8 tt0 -76.22 -44.35 38.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.236 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -101.45 -53.37 3.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.756 0.312 . . . . 0.0 111.704 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -74.92 19.35 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -164.05 -2.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.423 -0.511 . . . . 0.0 111.194 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . 0.426 ' O ' ' O ' ' A' ' 143' ' ' GLN . 46.8 mtt . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.42 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 17.1 ttp . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -114.73 154.9 27.66 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.976 0.417 . . . . 0.0 110.616 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pp -131.18 163.72 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.374 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.613 ' CE1' HG22 ' B' ' 14' ' ' THR . 6.7 m-85 -96.58 142.76 28.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.967 0.413 . . . . 0.0 110.722 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.632 ' O ' HG23 ' B' ' 5' ' ' VAL . 3.8 m -136.95 115.54 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.808 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -95.19 134.38 37.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.956 0.408 . . . . 0.0 111.034 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 15.6 m -89.02 157.07 18.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.582 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 tp -57.3 -18.56 17.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.387 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 18.0 p -91.24 -20.06 22.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.446 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.09 13.46 17.71 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.22 98.45 8.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.74 0.305 . . . . 0.0 110.359 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 11.0 m -95.12 131.41 41.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.784 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 8.4 pt -151.06 147.06 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.413 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.613 HG22 ' CE1' ' B' ' 4' ' ' PHE . 68.1 p -87.32 140.33 29.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.789 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.4 mp -120.29 165.05 15.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.814 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -119.76 117.07 27.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.174 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 12.3 m -137.17 -170.96 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.894 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' B' ' 21' ' ' ASP . 4.9 tt0 -136.06 130.08 18.29 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.002 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -44.37 -34.07 6.94 Favored 'Trans proline' 0 N--CA 1.492 1.412 0 C-N-CA 122.172 1.914 . . . . 0.0 112.252 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.9 m -81.38 -17.07 50.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.551 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.48 ' OD1' ' ND2' ' B' ' 25' ' ' ASN . 44.9 t0 -66.87 153.26 43.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.436 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.499 ' OG1' ' ND2' ' B' ' 25' ' ' ASN . 6.5 p -91.81 153.36 19.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.76 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.659 ' N ' HD12 ' B' ' 23' ' ' ILE . 2.5 mp -65.1 -9.35 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.356 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -73.09 -29.78 63.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.515 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.499 ' ND2' ' OG1' ' B' ' 22' ' ' THR . 56.5 m-80 -82.59 -47.87 11.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.465 -179.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 7.1 p -52.84 -37.52 25.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.402 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.405 ' NZ ' ' OD2' ' B' ' 52' ' ' ASP . 17.4 mttp -57.09 -42.46 80.75 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.71 -29.58 68.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.631 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -67.85 -44.44 77.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.499 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 83.0 mt -60.16 -31.92 49.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.37 . . . . 0.0 110.138 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.511 ' O ' ' N ' ' B' ' 35' ' ' GLY . 66.6 tt0 -64.34 -54.11 38.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.782 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -62.7 -28.92 70.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.973 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -84.21 -56.71 3.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.917 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.436 ' O ' ' OE1' ' B' ' 34' ' ' GLU . 0.0 OUTLIER -76.94 -37.26 55.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.852 -179.375 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . 100.52 -4.48 56.7 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.51 HG21 HD21 ' B' ' 71' ' ' LEU . 48.1 mt -92.77 132.72 30.6 Favored Pre-proline 0 C--N 1.329 -0.284 0 N-CA-C 110.248 -0.278 . . . . 0.0 110.248 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -68.58 150.14 74.69 Favored 'Trans proline' 0 N--CA 1.494 1.55 0 C-N-CA 121.952 1.768 . . . . 0.0 112.07 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.456 ' C ' ' H ' ' B' ' 40' ' ' GLN . 68.2 Cg_endo -73.12 -27.03 14.3 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 122.82 2.346 . . . . 0.0 112.508 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.437 ' O ' ' OE1' ' B' ' 40' ' ' GLN . 9.0 t70 -54.81 -7.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.747 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.456 ' H ' ' C ' ' B' ' 38' ' ' PRO . 4.1 mp0 -130.12 -1.88 4.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.509 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -126.77 142.5 51.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.9 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.616 ' NH2' ' NE2' ' B' ' 49' ' ' GLN . 9.6 ptm180 -144.3 158.57 43.67 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.473 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.517 ' N ' HD22 ' B' ' 43' ' ' LEU . 3.3 mm? -93.76 143.09 26.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.038 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 22.0 mt -144.15 136.4 22.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.189 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.419 ' O ' ' N ' ' B' ' 48' ' ' LYS . 16.9 t80 -136.78 146.46 45.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.523 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.31 29.14 1.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.687 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.44 28.08 66.46 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' B' ' 45' ' ' PHE . 9.2 mtmp? -135.24 142.96 46.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.811 0.338 . . . . 0.0 110.607 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.616 ' NE2' ' NH2' ' B' ' 42' ' ' ARG . 17.6 mt-30 -82.0 135.42 35.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.637 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.581 ' N ' HD12 ' B' ' 50' ' ' LEU . 9.8 mp -90.14 140.75 29.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.43 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -78.34 143.49 36.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.491 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.2 OUTLIER -71.64 -27.47 63.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.789 -179.854 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.26 -15.65 73.71 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.608 -0.597 . . . . 0.0 111.608 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 6.4 mmt-85 -76.9 177.03 8.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.502 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 42.4 p -131.8 146.95 52.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.174 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.543 ' O ' ' N ' ' B' ' 60' ' ' ASN . 6.7 mp -49.74 -23.11 1.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.113 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 12.0 t -57.52 -36.98 72.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.217 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -74.56 -45.01 48.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.274 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' B' ' 61' ' ' ILE . 56.6 m-85 -82.84 -1.51 52.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.302 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' B' ' 56' ' ' LEU . 0.5 OUTLIER 61.28 -79.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.908 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' B' ' 59' ' ' TYR . 1.3 mt 50.57 98.8 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.5 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -70.73 -177.21 1.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.487 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -73.31 158.44 35.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.45 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 54.98 36.77 27.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.544 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.414 ' O ' ' O ' ' B' ' 4' ' ' PHE . 89.9 p -87.64 148.96 24.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.567 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 11.6 m -107.97 111.11 23.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.501 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.418 HD13 HD12 ' B' ' 43' ' ' LEU . 83.6 mt -90.91 151.76 20.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.442 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -97.45 103.13 15.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.491 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.417 HD11 ' HB ' ' B' ' 5' ' ' VAL . 14.7 mt -89.16 141.48 28.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.442 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 22.2 m -133.36 150.31 32.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.283 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.51 HD21 HG21 ' B' ' 36' ' ' ILE . 12.7 mt -111.89 139.06 47.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.644 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 34.1 mtm105 -112.94 85.89 2.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.232 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.592 ' N ' HD12 ' B' ' 73' ' ' LEU . 7.0 mp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.677 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.594 ' N ' ' CE2' ' A' ' 60' ' ' TYR . . . . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.616 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.1 tt -49.91 -34.12 19.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.515 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -74.81 -53.19 9.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.6 mtt85 -61.43 -50.37 73.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.791 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.407 HD13 ' O ' ' A' ' 30' ' ' MET . 97.3 mt -52.99 -39.0 30.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.732 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.434 ' O ' ' OD1' ' A' ' 7' ' ' ASN . 36.3 t-20 -63.27 -23.78 67.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.973 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.581 ' HZ3' ' HB3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -67.51 -35.61 79.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.622 -179.837 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -70.82 -23.97 62.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.52 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.63 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -71.03 -34.12 71.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.407 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.7 t -59.98 -35.45 75.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.709 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 12' ' ' ASP . 40.4 t0 -83.05 -22.05 33.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.624 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 tp -83.57 -52.57 6.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.66 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.98 -41.13 70.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.816 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.0 ttt85 -79.33 -46.71 17.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.804 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -121.3 79.12 35.79 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.647 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -79.16 161.15 26.37 Favored 'Trans proline' 0 C--N 1.309 -1.526 0 C-N-CA 122.613 2.209 . . . . 0.0 112.084 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.38 135.04 38.1 Favored 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 122.689 2.26 . . . . 0.0 112.165 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.1 -52.05 11.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.798 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.472 ' CG ' ' N ' ' A' ' 21' ' ' CYS . 4.6 pt20 -85.98 -54.49 4.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.674 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.472 ' N ' ' CG ' ' A' ' 20' ' ' GLN . 22.6 m -71.62 165.9 22.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.432 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.5 t -140.25 127.2 20.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.655 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -142.24 153.96 44.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.399 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -165.15 110.05 0.39 Allowed Glycine 0 CA--C 1.531 1.061 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -49.87 146.26 16.75 Favored 'Trans proline' 0 N--CA 1.493 1.468 0 C-N-CA 122.129 1.886 . . . . 0.0 111.944 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.426 ' O ' ' O ' ' A' ' 27' ' ' GLY . 44.5 t -100.92 151.95 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.509 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 26' ' ' VAL . . . -55.7 -161.47 0.02 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 29' ' ' ASP . 72.6 m-20 54.81 71.25 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 110.588 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 28' ' ' ASP . 3.2 m-20 59.76 143.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.609 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.407 ' O ' HD13 ' A' ' 6' ' ' ILE . 4.1 mtp -79.24 67.98 5.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.623 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -125.4 -27.15 3.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.205 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -104.36 120.72 41.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.235 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -116.97 156.6 27.17 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.4 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.421 ' NE2' ' OG1' ' A' ' 53' ' ' THR . 26.9 tp60 -124.57 156.26 37.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.389 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -155.56 158.94 39.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.892 0.377 . . . . 0.0 110.779 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.6 m -146.2 155.09 42.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.561 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 pt -145.01 155.09 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.31 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.2 ttt -122.16 126.7 48.89 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.752 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.37 104.31 0.04 OUTLIER Glycine 0 CA--C 1.531 1.046 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -47.81 169.37 0.07 OUTLIER 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.217 1.945 . . . . 0.0 112.095 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.526 ' H ' HD22 ' A' ' 41' ' ' ASN . 1.7 p30 -80.74 -173.27 4.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.64 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.2 t70 50.47 33.62 8.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.648 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 p -157.12 151.44 20.14 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -69.52 -11.84 32.03 Favored 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 122.429 2.086 . . . . 0.0 111.897 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -73.98 -19.75 60.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.571 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -65.17 116.89 7.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.528 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 138.62 10.95 0.88 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -151.94 166.8 31.01 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 49' ' ' VAL . 35.9 m -127.88 125.87 65.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.882 0.372 . . . . 0.0 110.484 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -95.37 179.92 5.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.386 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -140.11 129.23 23.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.552 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.2 tt -130.36 158.76 38.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.225 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.421 ' OG1' ' NE2' ' A' ' 34' ' ' GLN . 5.8 m -145.72 132.21 19.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.899 0.38 . . . . 0.0 110.82 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.536 HD13 HD11 ' A' ' 99' ' ' ILE . 1.7 mp -98.57 133.09 42.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.135 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -113.56 115.48 28.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.86 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -85.64 126.87 65.1 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.178 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.499 ' C ' ' H ' ' A' ' 59' ' ' ASP . 87.4 Cg_endo -80.97 140.31 12.55 Favored 'Trans proline' 0 C--N 1.312 -1.372 0 C-N-CA 122.353 2.035 . . . . 0.0 112.097 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 43.6 p -52.29 -9.89 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.024 0.44 . . . . 0.0 109.892 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.499 ' H ' ' C ' ' A' ' 57' ' ' PRO . 5.2 t0 -83.99 23.72 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.48 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.594 ' CE2' ' N ' ' A' ' 2' ' ' ALA . 54.9 m-85 67.35 154.36 0.13 Allowed Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.984 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.573 ' O ' ' N ' ' A' ' 63' ' ' LYS . 32.5 Cg_exo -54.88 -44.28 51.23 Favored 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 122.865 2.377 . . . . 0.0 113.709 -179.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.442 ' HA ' ' HE1' ' A' ' 93' ' ' TRP . 1.3 p90 -44.83 -11.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.343 -178.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.573 ' N ' ' O ' ' A' ' 61' ' ' PRO . 18.3 mmtt -98.92 142.57 24.83 Favored Pre-proline 0 CA--C 1.533 0.294 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -52.6 116.91 3.18 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.116 1.878 . . . . 0.0 111.868 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -80.36 172.15 13.99 Favored 'Trans proline' 0 C--N 1.312 -1.35 0 C-N-CA 122.43 2.087 . . . . 0.0 112.187 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -106.76 96.34 6.37 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.576 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.1 p -93.13 148.06 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.368 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -155.24 150.93 27.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.883 0.373 . . . . 0.0 110.8 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.73 120.24 26.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.221 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.7 m -77.01 -28.41 54.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.67 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.8 m -106.44 114.49 28.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.671 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -49.99 145.48 5.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.253 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.5 tt -153.3 138.77 11.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.71 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -84.93 92.9 8.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.11 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -146.19 142.16 17.31 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.164 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -69.93 -27.38 25.73 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.281 1.987 . . . . 0.0 111.894 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -82.41 -27.0 32.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.316 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 23.0 mm -105.56 131.4 55.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.262 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.454 HD22 HG22 ' A' ' 120' ' ' VAL . 6.9 t-20 -92.14 172.54 8.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.798 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.2 m -85.43 -23.59 27.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.384 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -76.11 -15.42 60.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.575 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.452 ' O ' HD12 ' A' ' 84' ' ' ILE . . . 104.1 10.39 34.49 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.1 p -86.47 127.85 34.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.71 0.291 . . . . 0.0 110.426 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.452 HD12 ' O ' ' A' ' 82' ' ' GLY . 5.0 mp -125.63 145.78 32.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.642 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 21.8 t -97.73 112.97 24.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.27 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.3 mp -133.86 128.43 34.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.688 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -69.14 -47.99 63.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.415 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.409 ' H ' HG13 ' A' ' 88' ' ' ILE . 2.4 pp -55.62 -13.24 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.692 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.8 -12.32 22.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.756 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.433 ' CG ' ' N ' ' A' ' 91' ' ' SER . 6.8 ttp180 -80.63 -110.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.696 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.483 ' C ' ' H ' ' A' ' 93' ' ' TRP . 15.0 p -93.12 -20.23 20.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.657 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -75.64 25.94 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.558 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.483 ' H ' ' C ' ' A' ' 91' ' ' SER . 75.2 t-105 -82.23 102.94 11.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.407 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 96' ' ' ALA . 1.4 m -82.11 119.58 75.36 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.475 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -46.6 -7.14 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.433 2.088 . . . . 0.0 112.708 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.526 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -144.1 63.67 1.33 Allowed 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.351 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.422 ' H ' ' HG ' ' A' ' 97' ' ' LEU . 2.7 pp -104.22 152.06 22.63 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.326 179.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.6 m -76.52 135.96 39.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.525 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.536 HD11 HD13 ' A' ' 54' ' ' ILE . 5.3 tp -51.21 -39.5 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.583 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.471 ' N ' HG23 ' A' ' 99' ' ' ILE . 8.2 t -69.78 -12.94 62.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.877 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -62.25 -45.5 93.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.686 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.441 ' H ' HG12 ' A' ' 102' ' ' VAL . 2.1 p -73.01 -33.94 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.665 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 42.8 mt -63.92 -39.22 93.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.814 0.34 . . . . 0.0 110.431 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.2 mt -68.18 -40.92 82.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.61 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 59.6 m -51.38 -39.51 57.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.635 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.4 mt -67.21 -43.64 88.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.662 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 46.2 t -50.96 -53.43 33.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.638 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 52.9 p -53.07 -24.87 10.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.695 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.511 HD13 ' O ' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -73.38 -52.11 14.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.513 -179.841 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.504 HD12 ' N ' ' A' ' 110' ' ' LEU . 10.7 mp -58.38 -40.26 81.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.622 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 12.2 t -74.16 -48.29 30.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.609 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 113' ' ' PRO . 12.5 t70 -113.23 96.43 39.17 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.572 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 112' ' ' ASP . 70.4 Cg_exo -48.76 -174.97 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.427 2.084 . . . . 0.0 112.068 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -156.73 84.74 3.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.699 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -78.67 2.04 8.53 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.476 2.117 . . . . 0.0 112.02 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -81.47 106.04 13.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.377 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.408 ' N ' ' HD3' ' A' ' 118' ' ' PRO . 42.3 t0 43.41 65.74 5.28 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.636 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 117' ' ' ASP . 34.1 Cg_exo -58.01 -146.2 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.711 2.274 . . . . 0.0 112.073 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.2 tp -132.91 -25.64 1.82 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.25 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.454 HG22 HD22 ' A' ' 79' ' ' ASN . 3.2 t -122.43 80.12 46.13 Favored Pre-proline 0 C--N 1.332 -0.192 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.319 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -46.48 -32.29 11.07 Favored 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.734 2.29 . . . . 0.0 112.432 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -61.98 -47.62 84.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.012 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 70.8 mt -77.05 -35.02 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.065 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.15 -40.39 86.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.338 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -54.75 -31.95 59.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.74 0.305 . . . . 0.0 110.848 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.527 ' O ' ' N ' ' A' ' 130' ' ' ASP . 43.5 mt -70.82 -51.31 37.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.872 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 127' ' ' TYR . 25.9 t80 -71.22 -31.87 68.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.152 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -64.58 -30.82 71.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.544 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 35.3 p -117.99 -42.31 2.83 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.701 0.286 . . . . 0.0 111.244 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 126' ' ' ILE . 0.9 OUTLIER -106.34 109.22 21.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.807 -179.641 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 33.8 mmm-85 -93.76 -44.57 8.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.637 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -60.87 -49.01 79.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.653 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 32.9 tttm -61.48 -28.94 69.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.577 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -75.97 -27.92 57.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.586 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -63.26 -46.02 88.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.019 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.434 ' HG3' ' H ' ' A' ' 137' ' ' ILE . 11.0 ptp180 -64.64 -49.94 69.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.071 -179.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.434 ' H ' ' HG3' ' A' ' 136' ' ' ARG . 20.4 mt -61.16 -48.76 87.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.709 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 92.5 p -45.92 -46.41 16.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.495 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 32.8 ttm-85 -79.18 -33.24 44.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.704 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -62.56 -38.14 88.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.583 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -84.13 -13.57 52.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.62 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.648 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 92.9 m -69.91 -60.31 2.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.82 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -61.65 -31.52 71.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.862 0.363 . . . . 0.0 110.911 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -59.29 -37.3 77.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.028 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -125.98 -33.41 2.68 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.86 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.648 ' HB3' ' O ' ' A' ' 142' ' ' THR . . . -66.81 -71.04 0.21 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.727 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 14.6 mtt . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.565 179.933 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.559 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -153.12 145.8 24.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.278 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.756 HD13 ' H ' ' B' ' 3' ' ' ILE . 0.1 OUTLIER -148.45 148.11 16.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.483 179.709 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -93.78 120.57 34.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.508 ' O ' HG23 ' B' ' 5' ' ' VAL . 10.5 m -102.19 126.25 56.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.754 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -112.64 118.59 35.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.661 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.516 HG22 ' N ' ' B' ' 8' ' ' LEU . 47.6 m -94.67 161.89 14.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.375 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.516 ' N ' HG22 ' B' ' 7' ' ' THR . 2.2 tp -59.02 -16.66 19.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.473 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 65.1 p -83.28 1.74 39.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.588 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.12 -3.1 85.63 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -65.13 123.08 18.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.776 0.322 . . . . 0.0 110.518 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 60.8 m -130.02 121.07 25.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.561 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 7.5 pt -150.99 147.1 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.66 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.73 123.95 30.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.417 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.0 mp -98.35 138.05 36.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.301 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -91.37 113.69 26.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.182 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' B' ' 1' ' ' MET . 7.2 p -150.08 145.43 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.768 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -80.0 150.18 71.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.38 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.29 -15.55 46.14 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.629 2.219 . . . . 0.0 112.229 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.1 m -95.52 -14.99 23.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.623 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -56.99 165.01 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.449 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.475 HG23 ' O ' ' B' ' 54' ' ' ARG . 3.1 m -116.53 140.77 49.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.682 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 30.7 mm -45.33 -39.06 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -48.94 -38.14 22.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.576 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -85.11 -45.67 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.779 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.591 ' HA ' ' HZ2' ' B' ' 29' ' ' LYS . 11.9 t -53.0 -48.86 51.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.69 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.525 ' O ' ' NE2' ' B' ' 31' ' ' GLN . 22.4 mttt -50.88 -41.68 58.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.523 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.28 -27.82 66.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.194 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.591 ' HZ2' ' HA ' ' B' ' 26' ' ' VAL . 1.6 ttmp? -73.75 -54.35 8.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.305 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 14.6 tt -59.3 -32.0 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.796 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' B' ' 27' ' ' LYS . 32.9 mt-30 -59.92 -53.75 54.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.591 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.34 -29.93 61.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.678 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.2 tttp -53.93 -66.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.783 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -82.45 -34.8 27.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.755 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.48 52.29 0.72 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 62.0 mt -128.08 112.27 20.07 Favored Pre-proline 0 C--N 1.33 -0.247 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.34 156.04 6.18 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 122.032 1.821 . . . . 0.0 112.162 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -69.87 -7.88 22.2 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.838 2.359 . . . . 0.0 112.428 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -67.39 -16.78 64.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.861 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -130.23 -10.23 4.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.078 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -65.63 117.97 8.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 110.631 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -145.17 115.98 7.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.404 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.604 HD12 ' N ' ' B' ' 43' ' ' LEU . 9.4 mp -87.78 136.68 32.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.759 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' B' ' 44' ' ' ILE . 6.8 tp -136.01 141.5 41.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.652 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -147.88 112.33 5.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.461 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.9 31.94 21.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.508 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.93 -8.1 52.2 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -87.97 116.88 26.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.769 0.319 . . . . 0.0 110.503 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -72.65 127.5 32.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.417 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 11.1 mp -76.04 101.27 5.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.371 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -51.55 157.25 1.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.592 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -79.16 -25.4 42.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -103.16 49.23 0.97 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.526 -0.63 . . . . 0.0 111.526 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.475 ' O ' HG23 ' B' ' 22' ' ' THR . 13.1 mmt85 -143.12 169.38 17.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.835 0.35 . . . . 0.0 110.278 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.527 ' O ' ' CZ ' ' B' ' 59' ' ' TYR . 62.0 p -120.38 172.58 7.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.347 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.566 ' N ' HD12 ' B' ' 56' ' ' LEU . 10.0 mp -74.32 -18.76 60.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.379 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.9 p -73.94 -29.04 61.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.571 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.435 ' OD1' ' OG1' ' B' ' 55' ' ' THR . 1.1 m-20 -59.23 -45.11 92.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.625 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.527 ' CZ ' ' O ' ' B' ' 55' ' ' THR . 0.0 OUTLIER -90.81 4.22 52.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.276 179.783 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . 0.427 ' O ' ' O ' ' B' ' 61' ' ' ILE . 5.1 t30 75.09 -71.64 0.12 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.676 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.427 ' O ' ' O ' ' B' ' 60' ' ' ASN . 27.0 mm 57.04 157.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.537 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.412 ' N ' HG22 ' B' ' 61' ' ' ILE . 84.0 mt-30 -127.15 175.35 8.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.463 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -68.37 148.56 50.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.576 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 54.9 24.38 5.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.507 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 11.7 p -60.69 136.99 58.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.672 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 17.2 m -89.42 108.94 19.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.664 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.49 ' N ' HD12 ' B' ' 67' ' ' LEU . 10.9 mp -98.79 144.04 28.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.3 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.424 ' O ' HD22 ' B' ' 69' ' ' LEU . 21.8 m170 -99.35 141.01 32.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.308 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.424 HD22 ' O ' ' B' ' 68' ' ' HIS . 0.9 OUTLIER -123.44 142.04 51.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.385 -179.735 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 70' ' ' VAL . 34.6 m -142.34 124.53 13.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.557 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.548 ' N ' HD12 ' B' ' 71' ' ' LEU . 10.2 mp -84.42 133.58 34.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.475 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -83.5 108.49 16.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.568 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.435 HD12 ' O ' ' B' ' 71' ' ' LEU . 4.5 mp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.388 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.694 HD12 ' N ' ' A' ' 3' ' ' LEU . 5.9 mp -66.17 -28.1 68.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.442 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.0 mttm -61.25 -49.3 77.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.674 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -38.81 82.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.553 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.0 mt -67.5 -48.53 76.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.675 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -53.32 -24.17 11.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.648 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -69.14 -34.0 74.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.572 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -60.49 -29.01 68.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.574 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.583 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -65.74 -29.92 70.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.457 -179.883 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.5 m -66.13 -27.01 67.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.666 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -73.08 -31.29 64.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.653 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.6 mt -75.11 -20.67 59.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.13 -17.38 46.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.695 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -84.21 -86.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.798 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -117.56 84.74 19.61 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.68 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -49.45 156.66 2.62 Favored 'Trans proline' 0 C--N 1.308 -1.562 0 C-N-CA 122.497 2.131 . . . . 0.0 111.917 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.402 ' C ' ' HZ1' ' B' ' 6' ' ' LYS . 55.6 Cg_endo -71.15 140.2 37.05 Favored 'Trans proline' 0 C--N 1.309 -1.532 0 C-N-CA 122.599 2.199 . . . . 0.0 112.114 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.05 -52.07 11.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.637 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -99.14 -34.99 10.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.708 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.436 ' O ' ' OG ' ' A' ' 22' ' ' SER . 0.1 OUTLIER -76.2 175.32 9.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.484 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' A' ' 21' ' ' CYS . 3.6 m -168.17 95.23 0.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.367 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.36 160.84 25.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.72 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.52 158.75 14.96 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -73.44 131.96 16.98 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.582 2.188 . . . . 0.0 112.165 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.1 m -130.19 93.79 2.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.496 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 143.51 165.12 10.63 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -74.74 2.43 10.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 0.0 110.428 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -133.12 128.34 35.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.372 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.3 mtp -74.48 6.61 3.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.666 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.646 ' CZ ' HD11 ' A' ' 3' ' ' LEU . 39.0 m-85 -78.29 7.34 6.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.287 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -147.97 120.91 8.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.617 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -118.06 177.22 4.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.072 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -143.44 157.81 44.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.368 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -162.28 149.19 13.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.464 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.5 p -144.19 152.16 40.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.978 0.418 . . . . 0.0 110.747 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.419 ' CG2' ' SG ' ' A' ' 21' ' ' CYS . 5.8 pt -151.5 128.28 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.386 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.607 ' SD ' ' N ' ' A' ' 39' ' ' GLY . 1.1 tmm? -86.5 141.66 28.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.403 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.607 ' N ' ' SD ' ' A' ' 38' ' ' MET . . . -39.3 110.18 0.14 Allowed Glycine 0 CA--C 1.531 1.087 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -43.94 155.32 0.22 Allowed 'Trans proline' 0 N--CA 1.491 1.382 0 C-N-CA 122.214 1.943 . . . . 0.0 112.2 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -81.63 163.18 22.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.628 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.418 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 10.5 t70 61.88 32.33 18.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.745 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.6 t -157.05 145.65 14.61 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.538 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.514 ' O ' ' N ' ' A' ' 46' ' ' GLN . 80.3 Cg_exo -38.87 -43.91 2.29 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 C-N-CA 122.637 2.225 . . . . 0.0 112.397 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -44.94 -15.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.833 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' A' ' 44' ' ' PRO . 8.3 mm100 -45.98 117.12 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.403 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.4 58.66 2.53 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -161.63 102.42 0.21 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.493 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 29.3 m -80.39 149.87 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.785 0.326 . . . . 0.0 110.552 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.493 ' CD1' ' O ' ' A' ' 49' ' ' VAL . 46.5 m-85 -145.43 136.27 24.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.55 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -109.88 150.83 27.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.384 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.72 147.62 26.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.36 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.77 167.08 12.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.339 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.431 ' N ' HD12 ' A' ' 54' ' ' ILE . 4.3 mp -137.76 124.37 27.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.597 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -97.59 156.1 16.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.554 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -136.15 105.94 9.5 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.642 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.404 ' O ' ' N ' ' A' ' 60' ' ' TYR . 71.6 Cg_endo -81.16 157.5 20.1 Favored 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 122.279 1.986 . . . . 0.0 111.869 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 34.4 p -48.98 -36.15 16.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 110.408 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -89.26 23.14 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.394 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.565 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 46.9 t80 -43.68 -53.68 11.87 Favored Pre-proline 0 CA--C 1.534 0.347 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.588 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 60' ' ' TYR . 13.5 Cg_endo -55.8 -7.5 1.6 Allowed 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 122.13 1.887 . . . . 0.0 112.369 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -123.2 -37.01 2.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.982 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -109.7 119.23 48.38 Favored Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.691 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -52.3 162.35 2.17 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 122.036 1.824 . . . . 0.0 111.635 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.27 165.22 28.08 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 C-N-CA 122.635 2.223 . . . . 0.0 112.209 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.6 90.36 3.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.315 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.0 t -80.88 134.39 27.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.3 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -141.82 138.98 32.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.368 . . . . 0.0 110.884 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -84.35 110.28 18.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.296 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.442 ' H ' HG23 ' A' ' 70' ' ' THR . 7.7 p -61.71 -20.04 63.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.439 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.2 m -106.74 103.04 12.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.536 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.4 114.78 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.399 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 16.7 tt -116.43 156.7 17.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.562 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -94.22 47.6 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.412 ' O ' ' O ' ' A' ' 78' ' ' ILE . 1.6 t-80 -101.22 116.32 63.99 Favored Pre-proline 0 CA--C 1.532 0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.537 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.494 ' C ' ' H ' ' A' ' 78' ' ' ILE . 75.1 Cg_exo -44.45 -50.04 8.44 Favored 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 122.267 1.978 . . . . 0.0 112.269 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.498 HD22 ' N ' ' A' ' 77' ' ' ASN . 1.3 m-80 -55.73 -4.37 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.771 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.494 ' H ' ' C ' ' A' ' 76' ' ' PRO . 5.2 mp -140.03 130.89 31.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.666 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.42 ' ND2' HG22 ' A' ' 120' ' ' VAL . 3.7 m120 -88.33 -175.81 5.13 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.352 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 84.8 p -79.21 -15.83 57.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.316 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -78.99 -15.21 58.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.479 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 98.61 2.17 57.55 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.7 t -64.74 109.88 2.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.723 0.296 . . . . 0.0 110.6 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 6.2 mt -96.38 132.78 39.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.593 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 43.7 t -87.61 113.2 23.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.557 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.3 mt -135.81 147.3 48.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.435 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -69.08 -52.14 31.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.861 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.719 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -51.87 -39.07 24.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.412 ' O ' ' CD2' ' A' ' 89' ' ' LEU . 1.1 tt -79.92 33.53 0.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.671 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.476 ' HB3' ' H ' ' A' ' 91' ' ' SER . 1.7 tmm_? -148.08 -94.21 0.08 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.348 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.522 ' C ' ' H ' ' A' ' 93' ' ' TRP . 48.9 m -98.56 -44.15 6.58 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.87 0.367 . . . . 0.0 110.973 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -70.23 29.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.181 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.522 ' H ' ' C ' ' A' ' 91' ' ' SER . 63.1 t-105 -78.66 123.5 27.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 0.0 110.479 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.533 ' H ' HD23 ' A' ' 97' ' ' LEU . 2.6 m -135.94 116.58 11.51 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.613 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -54.26 -1.15 0.12 Allowed 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.536 2.157 . . . . 0.0 112.341 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' A' ' 94' ' ' SER . . . -119.45 30.88 6.87 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.442 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.715 ' C ' HD12 ' A' ' 97' ' ' LEU . 3.9 pp -104.15 152.02 22.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.76 0.315 . . . . 0.0 110.306 179.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 32.8 m -93.96 150.61 20.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.898 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.548 HG23 ' N ' ' A' ' 100' ' ' SER . 3.4 tp -57.09 -44.61 83.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.496 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.548 ' N ' HG23 ' A' ' 99' ' ' ILE . 4.4 m -53.0 -39.08 62.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.512 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -53.87 -35.74 61.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.409 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 15.7 t -73.09 -51.43 26.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.72 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 43.5 mt -53.6 -42.78 68.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.684 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.3 mp -59.9 -24.94 64.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.379 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.6 m -74.62 -31.82 62.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.621 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 87.4 mt -70.25 -48.67 59.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.568 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 19.5 m -52.18 -37.36 54.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.685 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.0 m -81.96 -25.01 35.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.701 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.7 tp -67.46 -52.02 44.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.682 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.9 mp -54.75 -51.15 66.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.549 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.401 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 61.0 m -69.75 -14.98 63.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.756 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 111' ' ' CYS . 63.2 m-20 -159.6 81.43 2.49 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.762 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -79.27 -161.34 0.15 Allowed 'Trans proline' 0 C--N 1.309 -1.542 0 C-N-CA 122.503 2.136 . . . . 0.0 111.987 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -131.39 75.56 77.1 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.637 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -49.65 -17.84 2.22 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.745 2.297 . . . . 0.0 112.115 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.97 126.56 33.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.572 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 41.63 60.63 8.56 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.676 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -78.56 -162.53 0.18 Allowed 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.809 2.339 . . . . 0.0 112.258 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.5 tp -92.41 -28.07 17.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.478 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.42 HG22 ' ND2' ' A' ' 79' ' ' ASN . 3.9 t -133.92 76.85 64.06 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.566 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -50.36 -17.96 3.17 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.92 2.413 . . . . 0.0 112.404 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -68.92 -52.07 33.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.787 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 19.7 mt -78.35 -25.91 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.566 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.41 -51.71 68.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.309 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -54.84 -35.1 63.61 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.723 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 130' ' ' ASP . 23.7 mt -58.83 -56.29 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 110.399 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -63.88 -31.83 73.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.395 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -59.36 -62.44 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.11 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 78.7 p -98.41 -42.26 7.43 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.307 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 126' ' ' ILE . 8.9 m-20 -93.11 79.15 4.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.798 0.333 . . . . 0.0 110.685 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 21.6 tpt85 -78.88 -43.0 25.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.471 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -56.0 -47.23 78.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.671 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -59.82 -57.19 13.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.744 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.404 ' O ' ' OG ' ' A' ' 138' ' ' SER . 72.4 t80 -48.55 -35.85 14.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.794 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -67.76 -29.88 69.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 49.6 ttp85 -78.12 -50.06 12.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.879 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.613 HD12 ' N ' ' A' ' 137' ' ' ILE . 1.5 mp -69.07 -45.5 79.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.606 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' A' ' 134' ' ' TYR . 85.6 p -55.31 -42.17 73.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.852 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -78.69 -48.36 15.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.929 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -50.86 -41.53 58.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.415 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' TRP . . . . . 0.532 ' O ' ' N ' ' A' ' 145' ' ' TYR . 13.7 m95 -74.36 -44.69 51.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.332 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.549 ' O ' ' N ' ' A' ' 146' ' ' ALA . 99.6 m -52.34 -53.98 37.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.749 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -55.7 -31.75 62.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -94.35 -18.88 21.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.543 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . 0.532 ' N ' ' O ' ' A' ' 141' ' ' TRP . 35.1 m-85 -121.59 19.35 11.18 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 121.141 -0.224 . . . . 0.0 111.239 -179.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.549 ' N ' ' O ' ' A' ' 142' ' ' THR . . . -153.32 44.91 0.64 Allowed 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 21.6 mmt . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.419 179.862 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.536 ' SD ' ' CG2' ' B' ' 3' ' ' ILE . 11.4 tmm? . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.438 ' OE1' ' O ' ' B' ' 15' ' ' LEU . 3.8 tp-100 -81.41 145.91 30.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.665 ' C ' HD12 ' B' ' 3' ' ' ILE . 2.4 pp -148.02 153.43 11.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.323 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.577 ' CE2' ' CG2' ' B' ' 14' ' ' THR . 24.8 m-85 -106.92 109.88 21.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.443 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.409 HG12 ' H ' ' B' ' 5' ' ' VAL . 1.4 p -95.68 111.52 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.419 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.402 ' HZ1' ' C ' ' A' ' 18' ' ' PRO . 2.5 ttpm? -99.05 115.97 30.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.0 p -96.23 174.26 6.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.807 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.506 ' O ' HD23 ' B' ' 8' ' ' LEU . 0.7 OUTLIER -76.09 -10.6 59.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.44 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 4.0 m -68.01 -5.35 16.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.507 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.22 25.02 60.18 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.411 ' HB3' ' HZ3' ' B' ' 11' ' ' LYS . 0.0 OUTLIER -125.65 145.55 50.11 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.825 0.345 . . . . 0.0 110.401 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -123.69 107.9 11.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.352 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 15.6 tt -116.41 147.1 20.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.526 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.577 ' CG2' ' CE2' ' B' ' 4' ' ' PHE . 21.7 p -96.76 124.89 40.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.438 ' O ' ' OE1' ' B' ' 2' ' ' GLN . 4.1 mm? -108.36 164.03 12.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.167 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' B' ' 16' ' ' GLU . 16.0 mp0 -116.2 120.44 39.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.499 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -147.14 139.19 18.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.573 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -80.83 151.57 70.99 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.202 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.66 -25.1 40.64 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 122.579 2.186 . . . . 0.0 112.247 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.9 m -85.16 -17.15 38.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.802 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -66.86 141.23 57.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.341 . . . . 0.0 110.276 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.463 ' OG1' ' OD1' ' B' ' 25' ' ' ASN . 6.6 p -68.93 172.97 5.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.463 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.796 ' O ' HG12 ' B' ' 26' ' ' VAL . 44.9 mm -70.4 -49.18 55.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.742 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -48.85 -29.56 4.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.258 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.463 ' OD1' ' OG1' ' B' ' 22' ' ' THR . 6.1 m120 -66.93 -50.26 62.92 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 -178.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.796 HG12 ' O ' ' B' ' 23' ' ' ILE . 7.2 p -56.04 -33.62 36.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.917 -179.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -64.09 -29.07 70.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.0 0.429 . . . . 0.0 109.864 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.29 -27.85 61.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.768 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -77.39 -52.98 8.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.94 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 96.7 mt -58.4 -52.05 64.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.974 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' B' ' 35' ' ' GLY . 0.0 OUTLIER -56.68 -37.06 70.33 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.619 -179.716 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -74.72 -28.92 60.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.943 0.401 . . . . 0.0 110.204 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 11.5 tptp -76.62 -45.34 30.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.636 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -92.21 -37.06 12.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.694 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . 109.98 -26.35 14.17 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 75.6 mt -61.84 113.51 8.63 Favored Pre-proline 0 C--N 1.329 -0.308 0 C-N-CA 121.352 -0.139 . . . . 0.0 110.631 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -51.42 146.6 24.68 Favored 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 121.991 1.794 . . . . 0.0 111.864 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.51 ' C ' ' H ' ' B' ' 40' ' ' GLN . 48.8 Cg_exo -51.15 -46.27 32.05 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 122.369 2.046 . . . . 0.0 112.27 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -55.67 -2.22 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.445 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.51 ' H ' ' C ' ' B' ' 38' ' ' PRO . 42.2 mt-30 -117.64 -2.14 11.49 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.656 0.265 . . . . 0.0 110.893 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -147.28 127.85 14.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.959 0.409 . . . . 0.0 110.753 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -115.1 155.05 27.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.148 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 mp -110.3 132.22 54.36 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.936 0.398 . . . . 0.0 110.603 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.532 HD12 HG21 ' B' ' 70' ' ' VAL . 82.5 mt -131.14 141.51 45.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.01 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -129.07 122.48 30.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.543 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.69 29.09 18.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.44 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.93 28.06 63.37 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -132.79 131.5 41.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.786 0.327 . . . . 0.0 110.497 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.626 ' CD ' ' H ' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -68.81 133.63 48.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.622 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 71.7 mt -82.78 111.39 18.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.519 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' B' ' 51' ' ' GLU . 0.3 OUTLIER -49.37 124.36 9.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.281 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -56.72 -35.72 68.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.044 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.66 62.77 0.7 Allowed Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 4.7 mmt-85 -152.17 171.19 18.3 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 10.6 p -111.76 147.0 36.6 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.401 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 18.6 mt -60.36 -27.9 67.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.482 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 8.1 t -59.8 -28.99 67.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.521 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -70.14 -45.06 67.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.599 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -70.18 -1.34 9.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.418 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 48.01 56.83 6.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.787 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 mt -94.37 127.83 46.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.581 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -80.85 -171.2 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.629 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.502 ' C ' ' H ' ' B' ' 65' ' ' SER . 0.0 OUTLIER -85.44 164.09 18.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.509 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 60.13 0.23 0.27 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.672 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.502 ' H ' ' C ' ' B' ' 63' ' ' LYS . 10.1 p -45.14 168.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.463 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.93 110.01 14.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.484 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.582 ' N ' HD12 ' B' ' 67' ' ' LEU . 10.0 mp -95.9 143.39 27.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.417 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -101.2 132.67 46.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.504 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 12.2 tp -111.3 110.59 21.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.635 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.532 HG21 HD12 ' B' ' 44' ' ' ILE . 0.5 OUTLIER -104.37 160.99 4.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.338 179.852 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.566 ' N ' HD12 ' B' ' 71' ' ' LEU . 10.1 mp -93.73 132.43 38.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.636 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -115.76 131.19 57.01 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.421 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.416 ' N ' HD12 ' B' ' 73' ' ' LEU . 1.2 mp . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.598 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.1 mt -51.58 -36.89 47.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.695 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -60.06 -44.69 94.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.714 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.4 mtt-85 -74.97 -43.81 51.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.679 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 90.3 mt -58.86 -44.22 90.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.681 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -62.4 -31.53 72.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.679 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -60.97 -34.07 74.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.526 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -62.51 -30.65 71.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.58 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.556 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -74.23 -21.64 59.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.576 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.8 m -65.12 -51.05 63.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 12' ' ' ASP . 35.8 t0 -75.15 -22.02 58.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.69 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 tp -83.97 -19.43 34.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.671 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.61 -32.7 25.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.777 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.404 HH11 ' HG2' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -79.31 -88.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.574 -179.655 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -113.89 88.88 15.04 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.691 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -80.41 163.96 21.68 Favored 'Trans proline' 0 C--N 1.309 -1.502 0 C-N-CA 122.459 2.106 . . . . 0.0 111.95 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -51.58 127.84 24.01 Favored 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 122.403 2.069 . . . . 0.0 112.061 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.25 -35.34 61.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.686 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -85.57 -44.87 12.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.831 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.2 t -95.49 169.68 9.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.889 0.376 . . . . 0.0 110.617 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.2 m -139.08 155.1 48.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.272 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.99 176.15 3.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.749 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.48 138.24 2.77 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -45.02 146.28 2.61 Favored 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 122.294 1.996 . . . . 0.0 111.978 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.4 t -100.38 93.99 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.331 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.476 ' C ' ' H ' ' A' ' 29' ' ' ASP . . . 86.36 172.7 48.77 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 39.9 t0 -71.87 13.61 0.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.809 0.338 . . . . 0.0 110.593 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.476 ' H ' ' C ' ' A' ' 27' ' ' GLY . 16.5 t70 -107.34 101.91 11.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.549 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.546 ' C ' ' H ' ' A' ' 32' ' ' HIS . 0.1 OUTLIER -55.99 -161.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.129 179.873 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 58.02 0.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.658 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.546 ' H ' ' C ' ' A' ' 30' ' ' MET . 11.1 t-160 -128.12 120.91 28.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.351 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 21.7 m95 -127.81 171.3 11.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.532 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -141.23 157.84 44.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.452 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.728 ' HB2' HD11 ' A' ' 54' ' ' ILE . . . -147.63 157.77 43.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.693 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.3 m -145.96 145.92 30.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.436 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mt -146.61 160.15 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.485 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.463 ' O ' ' C ' ' A' ' 39' ' ' GLY . 0.8 OUTLIER -131.0 129.92 42.69 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.479 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 38' ' ' MET . . . -31.0 96.76 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -50.29 144.68 22.9 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 122.356 2.037 . . . . 0.0 112.088 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.67 HD22 ' N ' ' A' ' 42' ' ' ASP . 0.7 OUTLIER -56.52 166.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.478 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.687 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 2.5 m-20 58.12 40.97 24.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.459 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.77 149.25 21.82 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.25 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -69.83 0.6 5.47 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.485 2.123 . . . . 0.0 112.264 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.545 ' OH ' ' CD2' ' A' ' 75' ' ' HIS . 30.8 m-85 -90.07 -5.74 56.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.684 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.687 ' NE2' ' H ' ' A' ' 42' ' ' ASP . 72.7 mt-30 -55.83 116.88 3.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.487 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 141.03 -75.5 0.34 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -78.94 171.94 55.19 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.1 t -123.57 147.01 28.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.73 0.3 . . . . 0.0 110.464 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 37.6 m-85 -109.36 170.86 7.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -140.0 153.09 46.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.382 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.965 HD23 ' N ' ' A' ' 53' ' ' THR . 7.6 tt -149.87 156.71 42.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.406 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.965 ' N ' HD23 ' A' ' 52' ' ' LEU . 2.3 m -137.86 131.26 30.78 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.636 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.885 ' H ' HD12 ' A' ' 54' ' ' ILE . 0.7 OUTLIER -101.62 122.12 53.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.548 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -107.88 144.25 35.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.705 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -115.82 128.39 26.01 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.145 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.491 ' C ' ' H ' ' A' ' 59' ' ' ASP . 93.1 Cg_endo -81.28 135.54 9.6 Favored 'Trans proline' 0 N--CA 1.491 1.325 0 C-N-CA 122.297 1.998 . . . . 0.0 112.106 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.421 HG23 ' H ' ' A' ' 58' ' ' THR . 3.9 p -50.26 -11.48 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.222 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.491 ' H ' ' C ' ' A' ' 57' ' ' PRO . 1.2 m-20 -81.26 23.74 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.567 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.491 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 77.2 m-85 75.65 149.2 0.12 Allowed Pre-proline 0 N--CA 1.463 0.182 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.569 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.521 ' O ' ' N ' ' A' ' 63' ' ' LYS . 50.7 Cg_endo -69.11 -30.39 25.38 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.686 2.257 . . . . 0.0 113.841 -179.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 62' ' ' PHE . 2.8 p90 -46.61 -13.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.438 -179.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.521 ' N ' ' O ' ' A' ' 61' ' ' PRO . 26.6 mtpt -92.05 154.5 43.37 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.86 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.82 107.67 0.27 Allowed 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.656 2.237 . . . . 0.0 111.908 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.476 ' CD ' ' CZ3' ' A' ' 93' ' ' TRP . 31.5 Cg_exo -55.48 172.13 0.52 Allowed 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.32 2.014 . . . . 0.0 112.267 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.31 82.89 1.71 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.346 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.549 HG23 HD21 ' A' ' 52' ' ' LEU . 3.7 p -86.27 148.07 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.506 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -151.02 135.87 17.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.787 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.451 ' HB2' HD11 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -87.87 106.65 18.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.009 179.735 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -40.01 92.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.691 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.639 HG22 ' N ' ' A' ' 72' ' ' ARG . 93.8 m -86.48 166.58 15.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.577 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.639 ' N ' HG22 ' A' ' 71' ' ' THR . 0.0 OUTLIER -96.51 145.34 25.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.124 179.814 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.1 tt -153.1 136.53 7.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.577 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -93.2 88.19 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.578 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.545 ' CD2' ' OH ' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -138.08 144.94 45.62 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.036 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.403 ' HD2' ' HD1' ' A' ' 75' ' ' HIS . 48.6 Cg_endo -69.88 -24.16 29.43 Favored 'Trans proline' 0 C--N 1.31 -1.468 0 C-N-CA 122.431 2.088 . . . . 0.0 111.816 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -90.69 -17.27 27.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.58 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 48.4 mt -130.32 120.39 48.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.54 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.499 ' ND2' ' H ' ' A' ' 80' ' ' SER . 4.5 t-20 -79.98 159.59 26.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.64 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.499 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 39.7 m -66.91 -21.31 65.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.581 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -72.86 -1.13 15.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.468 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.82 35.09 20.1 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.9 m -96.44 104.77 16.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.759 0.314 . . . . 0.0 110.562 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.801 HD12 ' N ' ' A' ' 84' ' ' ILE . 2.0 mp -91.84 134.36 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.23 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.526 ' SG ' HD13 ' A' ' 119' ' ' LEU . 56.9 m -127.22 126.04 42.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.598 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.1 mt -143.39 163.34 33.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.297 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -69.03 -52.22 30.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.761 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.72 HD12 ' N ' ' A' ' 89' ' ' LEU . 2.8 pp -59.32 -16.79 10.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.747 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.72 ' N ' HD12 ' A' ' 88' ' ' ILE . 2.7 tp -80.84 -12.87 59.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.938 0.399 . . . . 0.0 110.162 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.7 tpt85 -95.87 -130.22 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.472 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.495 ' C ' ' H ' ' A' ' 93' ' ' TRP . 25.7 t -78.81 -17.95 54.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.727 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -72.65 16.32 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.38 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.64 ' CD1' ' N ' ' A' ' 94' ' ' SER . 29.5 t-105 -76.72 157.4 31.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.543 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.64 ' N ' ' CD1' ' A' ' 93' ' ' TRP . 4.6 m -139.68 121.87 10.04 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.302 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -45.77 -9.87 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 122.029 1.82 . . . . 0.0 112.012 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.548 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -110.2 23.01 14.86 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.506 HD23 ' N ' ' A' ' 98' ' ' THR . 2.7 tt -79.89 115.82 19.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.415 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.506 ' N ' HD23 ' A' ' 97' ' ' LEU . 5.3 t -81.95 -171.94 3.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.461 ' N ' ' OG1' ' A' ' 98' ' ' THR . 8.5 mm -92.12 -43.71 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.49 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.1 m -52.91 -18.95 2.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.968 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -82.06 -51.1 8.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.916 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 24.5 t -54.82 -51.45 52.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.734 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.42 ' N ' HD12 ' A' ' 103' ' ' LEU . 8.4 mp -53.08 -50.1 65.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.605 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.536 HD13 ' O ' ' A' ' 104' ' ' LEU . 0.2 OUTLIER -64.15 -45.11 89.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.349 -179.839 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.1 t -48.95 -49.51 40.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.57 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.15 -47.12 95.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.563 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.3 t -55.58 -31.74 62.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.578 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.5 p -71.62 -31.27 66.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.648 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.465 HD22 ' HA ' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -62.31 -49.69 74.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.364 -179.841 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 17.2 mt -63.49 -37.03 85.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.615 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 16.2 t -65.94 -30.51 71.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -145.76 80.15 10.75 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.617 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -79.19 115.34 3.48 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 122.66 2.24 . . . . 0.0 112.197 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -107.79 109.99 62.39 Favored Pre-proline 0 CA--C 1.532 0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.569 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -78.86 37.58 0.67 Allowed 'Trans proline' 0 N--CA 1.491 1.344 0 C-N-CA 122.34 2.027 . . . . 0.0 111.879 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -82.96 -34.15 26.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.738 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -142.01 60.42 10.86 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.803 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -78.86 -174.19 2.18 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.841 2.36 . . . . 0.0 111.951 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.526 HD13 ' SG ' ' A' ' 85' ' ' CYS . 0.2 OUTLIER -134.54 12.86 3.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.349 179.782 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.0 t -138.45 67.63 45.38 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.252 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -44.71 -20.58 0.37 Allowed 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.874 2.382 . . . . 0.0 112.345 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -69.99 -46.97 64.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.586 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 85.2 mt -77.97 -46.28 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.805 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.98 -44.87 60.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.717 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -54.98 -52.08 64.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.678 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' A' ' 130' ' ' ASP . 57.0 mt -57.81 -56.18 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.581 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -55.36 -31.92 62.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.79 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -68.15 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 48.6 p -76.62 -42.22 43.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.219 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' A' ' 126' ' ' ILE . 36.6 m-20 -101.63 94.91 6.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.711 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 5.3 tpt85 -88.03 -30.86 19.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.624 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -74.12 -49.13 25.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.995 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -59.65 -57.23 13.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.728 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.467 ' C ' ' CD1' ' A' ' 134' ' ' TYR . 18.2 t80 -48.55 -44.2 36.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.632 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -54.47 -31.01 54.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.793 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 36.2 ttt85 -76.78 -48.76 17.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.817 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.442 ' N ' HD13 ' A' ' 137' ' ' ILE . 4.4 mm -56.92 -44.48 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.638 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 90.2 p -47.77 -53.09 16.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.055 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -78.78 -33.18 46.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.22 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -50.83 -47.04 60.2 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.796 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' TRP . . . . . 0.443 ' CE3' ' CE2' ' A' ' 145' ' ' TYR . 27.7 m95 -74.17 -42.12 60.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.639 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.562 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 22.9 m -58.5 -18.61 30.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.955 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -75.94 -37.59 58.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.86 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -101.27 -18.94 15.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.205 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . 0.443 ' CE2' ' CE3' ' A' ' 141' ' ' TRP . 71.7 m-85 -109.26 19.26 19.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.6 -179.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 142' ' ' THR . . . -166.53 5.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.666 -0.413 . . . . 0.0 110.821 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 14.3 mtm . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.396 179.867 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.44 ' N ' ' O ' ' B' ' 17' ' ' VAL . 5.2 ptt? . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -84.96 134.33 34.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.686 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.8 pt -132.34 160.97 42.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.414 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -96.98 133.08 42.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.458 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 59.6 t -123.32 103.0 12.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.528 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -85.54 130.02 34.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.46 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.532 ' OG1' ' N ' ' B' ' 11' ' ' LYS . 35.5 p -86.99 176.62 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.874 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.408 ' O ' HD23 ' B' ' 8' ' ' LEU . 3.2 tt -75.03 -39.17 61.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.047 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.2 p -69.33 -18.29 63.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.647 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.98 -8.18 21.43 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.532 ' N ' ' OG1' ' B' ' 7' ' ' THR . 1.2 tmtp? -63.73 134.19 54.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.718 0.294 . . . . 0.0 110.346 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 60.5 m -127.74 131.61 49.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.783 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 9.0 pt -148.43 147.18 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.45 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 32.1 p -74.56 142.72 44.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.52 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 tp -127.55 134.97 49.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.312 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -88.4 119.39 28.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.526 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.484 HG12 ' N ' ' B' ' 18' ' ' GLU . 3.9 t -143.5 166.78 13.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.635 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.484 ' N ' HG12 ' B' ' 17' ' ' VAL . 6.1 mt-10 -120.45 155.75 56.18 Favored Pre-proline 0 C--N 1.332 -0.166 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.925 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.35 -32.88 40.18 Favored 'Trans proline' 0 C--N 1.308 -1.586 0 C-N-CA 122.653 2.235 . . . . 0.0 112.46 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.7 m -86.42 -17.08 35.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.007 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -57.85 129.83 43.71 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.35 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.67 140.91 49.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.343 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.52 HD12 ' O ' ' B' ' 51' ' ' GLU . 67.3 mt -55.0 -39.69 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.423 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -48.92 -30.01 5.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.562 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -79.91 -34.28 39.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.721 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 86.2 t -53.04 -41.05 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.366 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.416 ' NZ ' ' OD1' ' B' ' 52' ' ' ASP . 1.7 mptm? -57.31 -41.84 80.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.426 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.06 -46.24 85.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.711 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 52.1 mttm -56.16 -53.89 51.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.653 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.634 HG22 HD11 ' B' ' 36' ' ' ILE . 4.4 mm -47.99 -42.8 10.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.732 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.461 ' HA ' ' H ' ' B' ' 36' ' ' ILE . 37.3 tt0 -60.21 -54.3 47.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.323 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -60.21 -28.62 68.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.575 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -83.24 -66.0 0.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.502 ' OE2' ' CG2' ' B' ' 7' ' ' THR . 6.2 mt-10 -85.9 -37.47 19.07 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -178.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.477 ' N ' HD13 ' B' ' 36' ' ' ILE . . . 98.76 67.07 0.87 Allowed Glycine 0 CA--C 1.528 0.894 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.978 179.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.635 ' N ' HD13 ' B' ' 36' ' ' ILE . 0.0 OUTLIER -139.68 106.0 6.97 Favored Pre-proline 0 CA--C 1.532 0.275 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.143 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' B' ' 39' ' ' ASP . 50.4 Cg_exo -51.17 115.8 2.27 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 121.991 1.794 . . . . 0.0 112.21 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -47.37 -12.17 0.11 Allowed 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.536 2.157 . . . . 0.0 112.439 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' B' ' 37' ' ' PRO . 20.5 m-20 -60.32 -28.3 68.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.303 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -130.24 -1.86 4.51 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.499 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -95.6 136.41 36.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.007 0.432 . . . . 0.0 111.13 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.701 ' HE ' ' NH2' ' B' ' 72' ' ' ARG . 0.3 OUTLIER -145.15 146.72 31.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.894 179.466 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.423 HD12 ' N ' ' B' ' 43' ' ' LEU . 6.7 mp -108.37 157.45 18.38 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.984 0.421 . . . . 0.0 110.748 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.441 HD11 HH11 ' B' ' 42' ' ' ARG . 11.7 mt -144.01 130.43 16.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.409 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -111.92 130.23 55.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.499 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.13 33.52 7.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.495 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.6 18.72 80.01 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -122.73 117.96 26.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.775 0.322 . . . . 0.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -56.3 130.35 44.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.439 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.656 ' N ' HD12 ' B' ' 50' ' ' LEU . 8.7 mp -68.11 -178.95 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.569 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.526 ' OE1' ' NE ' ' B' ' 54' ' ' ARG . 91.8 mt-10 -132.68 116.47 16.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.366 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.416 ' OD1' ' NZ ' ' B' ' 27' ' ' LYS . 3.9 m-20 -61.67 -21.87 64.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.96 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.97 -67.71 1.92 Allowed Glycine 0 CA--C 1.528 0.846 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.099 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.526 ' NE ' ' OE1' ' B' ' 51' ' ' GLU . 9.5 ptp180 -76.75 174.02 10.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.996 0.427 . . . . 0.0 111.297 -178.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.447 ' O ' ' OD1' ' B' ' 58' ' ' ASP . 16.9 p -91.41 -173.46 3.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.78 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.413 HD22 HG21 ' B' ' 61' ' ' ILE . 13.3 mt -80.34 -21.74 42.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.763 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 35.5 p -53.89 -38.89 65.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.044 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' B' ' 55' ' ' THR . 0.1 OUTLIER -66.94 -33.68 76.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.752 -179.727 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.473 ' C ' ' H ' ' B' ' 61' ' ' ILE . 35.0 m-85 -81.41 15.7 1.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.587 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 55.52 6.12 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.809 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.473 ' H ' ' C ' ' B' ' 59' ' ' TYR . 50.2 mt -75.59 121.61 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.237 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -163.05 92.26 0.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.77 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 44.4 tttt 66.98 148.96 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.748 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 51.28 33.65 10.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.42 ' CB ' HG23 ' B' ' 61' ' ' ILE . 84.6 p -105.12 134.1 48.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.608 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 26.4 m -101.84 113.88 27.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.424 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 10.7 mt -102.6 132.44 48.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.67 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -89.03 110.69 21.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.342 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.4 tp -77.54 142.11 39.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.628 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 33.1 t -135.74 112.02 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.208 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.528 HD23 ' N ' ' B' ' 72' ' ' ARG . 1.7 tt -94.22 111.71 23.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.732 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.701 ' NH2' ' HE ' ' B' ' 42' ' ' ARG . 30.4 ttm-85 -81.39 158.81 24.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.115 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.406 ' N ' HD12 ' B' ' 73' ' ' LEU . 2.5 mp . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.593 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.578 HD12 ' N ' ' A' ' 3' ' ' LEU . 10.0 mp -50.27 -31.56 14.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.44 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -64.77 -45.08 87.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.294 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -71.23 -38.08 71.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.386 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 75.6 mt -68.42 -38.95 80.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.439 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 7' ' ' ASN . 0.5 OUTLIER -62.5 -21.03 65.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.455 179.839 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.7 tttt -60.94 -47.31 87.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.406 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.451 ' HG2' ' H ' ' A' ' 99' ' ' ILE . 23.1 mp0 -59.55 -52.04 67.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.613 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.559 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -49.93 -33.72 18.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.324 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.0 t -61.27 -38.93 88.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.471 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.31 -51.35 63.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.454 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 13' ' ' LEU . 9.0 mp -54.92 -27.88 46.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.151 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.54 -16.87 60.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.265 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 56.9 mtp85 -100.71 -57.08 2.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.79 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.41 ' O ' ' OD2' ' A' ' 16' ' ' ASP . 6.4 p-10 -161.77 89.1 1.49 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.952 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -55.07 161.42 6.66 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.513 2.142 . . . . 0.0 111.453 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 21' ' ' CYS . 18.9 Cg_endo -60.28 129.97 32.12 Favored 'Trans proline' 0 C--N 1.307 -1.631 0 C-N-CA 122.368 2.046 . . . . 0.0 111.584 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.14 -52.14 13.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.066 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -60.62 -56.04 26.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.791 0.329 . . . . 0.0 110.663 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.64 ' SG ' ' N ' ' A' ' 22' ' ' SER . 19.4 t -107.37 168.11 9.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.64 ' N ' ' SG ' ' A' ' 21' ' ' CYS . 1.8 p -121.61 169.94 10.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.88 0.371 . . . . 0.0 110.652 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.73 159.42 5.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.487 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.06 116.81 0.46 Allowed Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -80.58 148.14 17.97 Favored 'Trans proline' 0 N--CA 1.49 1.316 0 C-N-CA 122.321 2.014 . . . . 0.0 112.134 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.407 HG12 ' H ' ' A' ' 28' ' ' ASP . 6.4 t -69.28 111.32 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.529 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -44.13 -25.91 0.79 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.407 ' H ' HG12 ' A' ' 26' ' ' VAL . 1.2 m-20 -47.52 -61.82 1.74 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.781 0.324 . . . . 0.0 110.644 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -142.41 149.59 39.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.638 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -88.02 52.37 2.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.521 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -141.13 8.54 2.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.29 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -134.17 120.87 20.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.865 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 40.9 m95 -124.71 143.58 50.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.703 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -128.55 159.9 34.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.387 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -158.62 141.16 14.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.708 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.9 m -125.01 154.81 40.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.426 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.5 pt -139.97 125.47 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.628 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.591 ' SD ' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -91.31 131.45 36.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.403 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.591 ' N ' ' SD ' ' A' ' 38' ' ' MET . . . -40.66 123.0 2.26 Favored Glycine 0 CA--C 1.531 1.086 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.26 161.66 31.88 Favored 'Trans proline' 0 N--CA 1.492 1.416 0 C-N-CA 122.209 1.939 . . . . 0.0 112.073 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -83.21 46.59 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.527 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.416 ' OD2' ' O ' ' A' ' 42' ' ' ASP . 23.9 t70 -161.21 23.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.51 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.6 t -152.97 142.98 15.2 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.216 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -70.18 64.18 2.04 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.314 2.009 . . . . 0.0 111.92 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -150.77 -1.25 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.348 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -46.47 149.21 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.499 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.5 35.33 63.01 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -150.87 138.5 6.66 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.4 m -115.19 148.17 18.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.795 0.331 . . . . 0.0 110.56 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.581 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 1.9 m-85 -137.54 138.23 39.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.455 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.402 ' O ' ' OG1' ' A' ' 70' ' ' THR . 61.1 m-85 -101.31 138.16 38.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.475 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.02 112.46 16.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.093 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.73 131.29 36.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.408 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.7 mp -113.62 112.79 41.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.577 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -78.0 132.83 37.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.306 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -109.33 105.42 57.18 Favored Pre-proline 0 CA--C 1.532 0.251 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.83 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -83.75 167.14 13.16 Favored 'Trans proline' 0 C--N 1.312 -1.359 0 C-N-CA 122.427 2.084 . . . . 0.0 111.691 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.9 p -63.94 -34.78 78.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.913 0.387 . . . . 0.0 110.412 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -84.57 23.79 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.664 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.579 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 80.0 t80 -54.62 -37.54 56.19 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.081 -179.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 60' ' ' TYR . 17.7 Cg_exo -64.49 -14.75 46.1 Favored 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 121.982 1.788 . . . . 0.0 112.407 -179.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -123.21 -49.39 1.94 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.81 0.338 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.79 133.59 26.35 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.205 -179.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -69.89 161.34 46.32 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 122.204 1.936 . . . . 0.0 112.291 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.17 166.1 30.89 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.657 2.238 . . . . 0.0 112.264 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 48.1 tttm -108.83 84.0 1.85 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.415 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.7 p -81.02 148.1 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -151.12 145.9 25.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.541 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.76 114.14 8.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.232 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 51' ' ' PHE . 56.6 p -64.74 -19.97 66.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.668 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 p -123.23 148.78 45.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.532 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -79.51 123.16 27.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.148 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.508 HG23 ' O ' ' A' ' 73' ' ' ILE . 14.7 tt -134.59 120.86 33.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.587 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.678 ' CD2' HD12 ' A' ' 137' ' ' ILE . 0.2 OUTLIER -64.21 98.74 0.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.233 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.538 ' ND1' ' OD1' ' A' ' 77' ' ' ASN . 1.6 t-80 -152.13 121.02 3.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.178 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.497 ' C ' ' H ' ' A' ' 78' ' ' ILE . 84.5 Cg_exo -43.22 -51.75 5.47 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 C-N-CA 122.239 1.959 . . . . 0.0 112.343 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.962 HD22 HD12 ' A' ' 109' ' ' LEU . 1.3 p30 -65.54 6.58 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.497 ' H ' ' C ' ' A' ' 76' ' ' PRO . 10.4 mt -148.21 115.87 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.654 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 80' ' ' SER . 18.4 t-20 -78.47 -157.33 0.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.558 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.446 ' N ' ' OD1' ' A' ' 79' ' ' ASN . 8.4 t -88.76 -26.2 21.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.744 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -73.03 3.67 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.576 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.22 5.26 87.3 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.426 ' O ' HG23 ' A' ' 78' ' ' ILE . 3.7 m -56.41 143.67 33.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.332 . . . . 0.0 110.541 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 6.3 mt -131.25 130.06 63.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.516 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 12.2 t -94.66 112.76 24.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.655 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.9 mt -130.51 145.64 51.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.03 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -65.73 -52.07 54.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.912 -179.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.54 ' N ' HD13 ' A' ' 88' ' ' ILE . 0.1 OUTLIER -58.97 -20.4 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.566 -178.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.0 tp -90.67 27.89 1.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 110.44 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -140.42 -102.18 0.15 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 27.3 p -97.91 -17.14 19.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.642 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -87.75 18.53 3.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.659 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 72.1 t-105 -76.02 151.59 37.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.173 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.4 m -142.66 126.38 9.54 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.62 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -45.82 -35.84 14.2 Favored 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 122.179 1.919 . . . . 0.0 112.134 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.83 5.55 51.3 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.966 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.3 tt -43.9 149.69 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.468 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.7 p -105.95 131.98 52.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.474 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.497 HG23 ' N ' ' A' ' 100' ' ' SER . 9.7 tp -48.82 -40.02 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.946 0.403 . . . . 0.0 110.12 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.497 ' N ' HG23 ' A' ' 99' ' ' ILE . 10.3 t -59.8 -15.28 19.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.763 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -82.41 -34.94 28.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.356 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.7 t -68.84 -54.4 20.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.671 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.553 HD13 ' SG ' ' A' ' 21' ' ' CYS . 1.0 OUTLIER -60.19 -37.54 80.54 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.3 -179.261 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.504 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.6 OUTLIER -59.84 -41.29 91.07 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.324 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.0 m -54.2 -22.01 10.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.823 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.2 mm -69.13 -55.44 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.448 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 12.4 t -50.97 -50.19 58.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.552 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 46.7 m -53.91 -33.92 58.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.626 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.962 HD12 HD22 ' A' ' 77' ' ' ASN . 0.1 OUTLIER -72.33 -49.62 33.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.473 -179.879 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 39.1 mt -69.35 -28.26 66.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.572 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 81.1 m -69.73 -8.45 48.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.474 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -153.79 90.31 3.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.45 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -79.3 80.97 2.92 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.436 2.091 . . . . 0.0 112.089 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -95.97 111.17 55.28 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.447 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -79.12 46.31 2.16 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 122.248 1.965 . . . . 0.0 111.99 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.53 -39.33 13.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.649 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -141.44 62.38 15.37 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.692 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -79.96 -177.1 3.58 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.904 2.403 . . . . 0.0 112.031 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 78.9 mt -101.1 -38.14 8.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.595 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.3 t -116.49 84.17 14.47 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.538 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -47.43 -18.02 0.73 Allowed 'Trans proline' 0 C--N 1.309 -1.54 0 C-N-CA 122.485 2.123 . . . . 0.0 112.017 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -63.85 -41.75 97.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.476 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 43.2 mt -75.18 -32.64 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.445 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.17 -45.8 86.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.689 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -54.96 -35.48 64.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.547 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 130' ' ' ASP . 37.2 mt -69.78 -56.07 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.442 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.528 ' O ' ' NH1' ' A' ' 131' ' ' ARG . 68.3 t80 -62.6 -31.62 72.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.753 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -50.8 -50.77 55.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.37 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 13.6 p -127.61 -39.84 1.8 Allowed 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 121.081 -0.248 . . . . 0.0 111.218 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 126' ' ' ILE . 38.3 t0 -79.96 98.25 7.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.829 0.347 . . . . 0.0 110.847 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.528 ' NH1' ' O ' ' A' ' 127' ' ' TYR . 0.2 OUTLIER -95.37 -40.59 9.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.281 179.709 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.99 -48.99 52.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.828 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 136' ' ' ARG . 49.7 tttp -69.84 -52.86 21.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.479 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.567 ' HA ' HD11 ' A' ' 137' ' ' ILE . 38.9 t80 -48.38 -27.67 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.461 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -74.92 -29.83 61.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.414 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 133' ' ' LYS . 12.9 ttm-85 -72.7 -50.16 26.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.678 HD12 ' CD2' ' A' ' 74' ' ' TYR . 1.0 OUTLIER -62.94 -49.16 84.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 110.706 -179.711 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . 0.416 ' O ' ' OG1' ' A' ' 142' ' ' THR . 68.3 m -45.96 -48.11 16.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.923 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 42.5 mtp85 -79.11 -40.55 30.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.202 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -51.01 -41.05 59.55 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.94 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -84.82 -5.69 59.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.903 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.54 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 29.5 m -82.5 -60.28 2.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.911 0.386 . . . . 0.0 110.504 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -62.11 -31.35 71.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.625 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -48.53 -52.11 24.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.187 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -133.02 -33.15 1.17 Allowed 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.425 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 142' ' ' THR . . . -71.72 58.2 0.31 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.905 0.383 . . . . 0.0 110.757 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 2.3 mtm . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.296 179.862 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 39.3 mtm . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -123.42 101.52 7.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.419 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 26.4 pt -97.97 -175.91 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.368 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -126.45 129.14 48.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.886 0.374 . . . . 0.0 110.741 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 89.7 t -107.94 108.76 26.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.405 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.0 tttm -84.91 135.74 33.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.724 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 16.4 m -104.54 152.19 22.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.404 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 tp -56.48 -31.85 64.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.48 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 2.8 m -78.82 1.47 23.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.539 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.93 0.36 85.73 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.53 101.27 4.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.86 0.362 . . . . 0.0 110.354 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 32.7 m -94.29 141.86 28.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.456 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 9.5 tt -151.08 147.04 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.625 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 18.9 p -87.8 130.84 34.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.842 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.455 HD11 ' HB3' ' B' ' 29' ' ' LYS . 8.8 tp -104.85 145.48 30.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.534 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -107.19 109.23 21.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.465 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.546 HG22 ' N ' ' B' ' 18' ' ' GLU . 12.7 p -155.41 161.26 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.637 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.546 ' N ' HG22 ' B' ' 17' ' ' VAL . 0.0 OUTLIER -91.59 162.21 32.14 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.37 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.99 -16.16 25.82 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.732 2.288 . . . . 0.0 112.437 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.7 t -100.76 7.02 44.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.803 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -80.22 140.21 36.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.46 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 13.0 p -81.6 141.16 33.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.659 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 29.3 mm -49.29 -33.54 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.526 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -48.9 -37.16 18.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.27 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -83.79 -38.44 21.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.641 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 46.0 t -52.94 -48.1 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.366 . . . . 0.0 110.376 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.524 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 75.8 mttt -55.27 -48.97 73.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.38 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.87 -33.86 73.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.305 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.455 ' HB3' HD11 ' B' ' 15' ' ' LEU . 3.4 tptp -57.75 -49.37 76.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.246 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 64.8 mt -66.75 -31.99 55.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.607 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' B' ' 35' ' ' GLY . 5.5 tm0? -66.56 -54.52 22.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -60.51 -28.85 68.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.91 0.386 . . . . 0.0 110.375 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -55.07 -66.09 0.47 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.915 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -105.14 -37.2 7.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.119 -179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . 123.73 31.71 0.93 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 22.4 mt -91.99 114.06 60.9 Favored Pre-proline 0 C--N 1.328 -0.338 0 N-CA-C 110.516 -0.179 . . . . 0.0 110.516 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.27 148.69 18.2 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 122.012 1.808 . . . . 0.0 111.716 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -70.71 -20.4 30.41 Favored 'Trans proline' 0 C--N 1.309 -1.525 0 C-N-CA 122.656 2.238 . . . . 0.0 112.51 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -87.09 -1.88 58.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.213 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -116.98 -1.9 11.86 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.042 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' B' ' 27' ' ' LYS . 0.7 OUTLIER -127.65 94.22 3.91 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.772 0.32 . . . . 0.0 110.696 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -97.56 126.4 42.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.299 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.607 HD12 ' N ' ' B' ' 43' ' ' LEU . 8.9 mp -85.91 153.56 22.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.695 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 10.2 mt -144.16 128.0 12.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.374 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -118.44 129.68 55.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.55 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.9 28.9 11.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.682 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.36 28.08 58.47 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -134.73 137.76 43.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.808 0.337 . . . . 0.0 110.572 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.62 137.42 49.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.377 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.709 ' N ' HD12 ' B' ' 50' ' ' LEU . 7.0 mp -80.72 177.04 9.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.526 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -127.05 136.11 51.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.314 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.7 p30 -60.18 -19.19 52.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.895 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.74 -18.88 39.22 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.764 -0.535 . . . . 0.0 111.764 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.433 ' CB ' ' OH ' ' B' ' 59' ' ' TYR . 0.3 OUTLIER -76.84 166.23 23.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.944 0.402 . . . . 0.0 110.679 -179.724 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 7.4 p -121.17 174.91 6.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.21 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 mp -68.94 -43.89 74.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.104 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 24.3 p -54.06 -28.92 41.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.608 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -58.55 -45.17 89.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.635 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.433 ' OH ' ' CB ' ' B' ' 54' ' ' ARG . 2.6 m-85 -95.05 19.02 11.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.421 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 72.88 -74.08 0.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.918 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 18.7 mm 51.26 93.28 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.344 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.442 ' O ' ' O ' ' B' ' 63' ' ' LYS . 18.8 mm100 -97.58 54.79 1.19 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.923 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' B' ' 62' ' ' GLN . 23.3 ttmt 56.4 158.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 110.575 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 55.21 29.55 12.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.758 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 39.4 m -75.45 168.08 20.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.378 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.9 m -136.46 109.01 7.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.671 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 mp -102.22 156.43 17.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.26 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -98.3 123.64 42.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.611 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.579 HD23 ' N ' ' B' ' 70' ' ' VAL . 3.5 tt -108.27 113.78 27.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.282 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.579 ' N ' HD23 ' B' ' 69' ' ' LEU . 5.1 t -105.97 143.43 16.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.74 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.562 ' N ' HD12 ' B' ' 71' ' ' LEU . 10.5 mp -94.44 152.01 18.93 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.509 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 48.5 ttt85 -105.42 98.77 8.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.482 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.523 ' H ' HD12 ' B' ' 73' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.308 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.7 mt -67.78 -30.01 69.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.542 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.08 -39.96 63.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.568 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -65.41 -46.19 80.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.859 0.362 . . . . 0.0 110.09 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 73.4 mt -63.2 -45.25 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.559 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -52.94 -30.2 33.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.479 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -66.82 -33.92 76.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.496 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.519 ' OE2' ' N ' ' A' ' 99' ' ' ILE . 2.1 tt0 -69.56 -49.3 55.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.314 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.611 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -52.58 -23.37 6.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.126 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.1 t -63.25 -40.83 98.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.559 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -77.46 -37.12 52.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.555 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 tp -65.28 -61.04 2.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.526 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.92 -27.78 14.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.601 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -38.64 78.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.449 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -172.71 86.02 0.42 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.518 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -46.21 133.52 15.31 Favored 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.464 2.11 . . . . 0.0 111.94 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -51.32 127.69 23.04 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 122.024 1.816 . . . . 0.0 112.03 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.474 ' HB2' ' NZ ' ' B' ' 6' ' ' LYS . . . -75.34 -32.98 61.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.948 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -80.45 -56.08 4.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.098 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.0 m -119.02 77.13 1.16 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.807 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.5 m -58.03 141.47 49.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.377 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.96 176.05 12.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.602 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.83 171.02 36.47 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -72.97 145.2 39.56 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.763 2.309 . . . . 0.0 112.042 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.579 ' CG2' HE21 ' A' ' 34' ' ' GLN . 5.0 t -79.42 150.58 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.566 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.59 -12.27 63.81 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.408 ' H ' HG12 ' A' ' 26' ' ' VAL . 26.8 t0 -69.22 -54.71 13.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.876 0.369 . . . . 0.0 110.587 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -170.48 144.9 2.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 86.7 mmm -63.54 -17.09 62.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.615 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -74.19 8.53 2.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.56 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -148.04 120.81 8.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.571 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -111.98 165.89 11.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.057 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.579 HE21 ' CG2' ' A' ' 26' ' ' VAL . 43.0 mt-30 -146.23 141.66 27.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.609 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.508 ' O ' ' CD1' ' A' ' 51' ' ' PHE . . . -123.75 173.22 8.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.165 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.7 m -144.98 145.48 31.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.049 0.452 . . . . 0.0 110.869 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.9 pt -143.25 153.95 16.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.096 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 6.1 ttt -133.96 139.28 46.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.802 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.61 ' C ' ' H ' ' A' ' 41' ' ' ASN . . . -40.33 104.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 41' ' ' ASN . 50.2 Cg_exo -50.51 1.45 0.03 OUTLIER 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.389 2.059 . . . . 0.0 112.322 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.61 ' H ' ' C ' ' A' ' 39' ' ' GLY . 0.3 OUTLIER 82.78 29.83 0.1 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.907 0.384 . . . . 0.0 110.314 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -137.21 -19.15 1.28 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.392 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.0 m -103.03 146.82 33.13 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.424 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -40.68 -34.78 1.35 Allowed 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 122.565 2.177 . . . . 0.0 112.318 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -71.96 48.83 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -74.06 118.22 16.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.583 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.81 -34.69 4.26 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.5 128.61 45.84 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.8 m -92.15 145.64 7.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.715 0.293 . . . . 0.0 110.603 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -132.36 154.92 49.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.4 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.508 ' CD1' ' O ' ' A' ' 35' ' ' ALA . 0.1 OUTLIER -140.12 146.2 38.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.432 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.99 168.97 18.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.412 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.512 HG22 ' N ' ' A' ' 54' ' ' ILE . 32.7 m -127.76 160.9 30.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.678 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.512 ' N ' HG22 ' A' ' 53' ' ' THR . 4.5 mp -137.79 133.6 45.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.415 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -112.08 152.82 27.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.646 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 56' ' ' PHE . 19.2 m-85 -120.63 138.03 27.02 Favored Pre-proline 0 CA--C 1.53 0.206 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.332 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.49 ' C ' ' H ' ' A' ' 59' ' ' ASP . 82.3 Cg_endo -77.78 131.89 11.55 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 C-N-CA 122.466 2.111 . . . . 0.0 111.99 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.7 p -55.1 -7.34 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.258 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.49 ' H ' ' C ' ' A' ' 57' ' ' PRO . 8.5 t70 -93.7 22.84 5.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.578 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.479 ' CG ' ' C ' ' A' ' 59' ' ' ASP . 1.2 m-85 72.53 151.94 0.14 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.521 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.486 ' C ' ' N ' ' A' ' 63' ' ' LYS . 4.1 Cg_endo -47.96 -20.46 2.07 Favored 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 122.442 2.095 . . . . 0.0 111.877 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -47.45 -15.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 109.977 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.486 ' N ' ' C ' ' A' ' 61' ' ' PRO . 10.5 mptt -109.91 134.33 20.7 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.886 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -52.33 117.6 3.78 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.007 1.805 . . . . 0.0 111.909 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -77.78 172.02 16.39 Favored 'Trans proline' 0 N--CA 1.491 1.324 0 C-N-CA 122.321 2.014 . . . . 0.0 112.13 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -110.21 128.02 55.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.597 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.5 m -104.51 115.98 47.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.343 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -105.15 161.67 14.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.688 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.98 111.47 13.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.38 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 70' ' ' THR . 6.4 p -64.47 -48.06 76.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.572 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.4 m -85.14 136.41 33.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.0 mtp180 -80.09 114.18 18.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.588 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.454 ' CG2' HG21 ' A' ' 78' ' ' ILE . 15.8 tt -112.12 126.94 69.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.262 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -76.57 96.48 4.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.67 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.459 ' O ' ' O ' ' A' ' 78' ' ' ILE . 1.2 t-80 -153.57 125.4 3.76 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.054 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -43.86 -46.88 10.42 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.482 2.121 . . . . 0.0 113.038 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.566 HD22 ' N ' ' A' ' 78' ' ' ILE . 0.4 OUTLIER -72.89 -7.87 52.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.63 -178.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.566 ' N ' HD22 ' A' ' 77' ' ' ASN . 30.6 mt -129.01 126.3 64.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 120.927 0.394 . . . . 0.0 110.918 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -90.68 166.06 13.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.587 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.4 p -73.84 -22.67 59.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.457 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -72.94 -10.12 59.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.521 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.94 23.38 13.47 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.9 m -86.12 136.77 33.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.788 0.328 . . . . 0.0 110.511 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 15.1 mt -137.44 128.99 40.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.581 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 6.1 p -104.24 113.11 26.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.646 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 41.7 mt -136.16 150.58 49.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.482 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.41 ' C ' ' N ' ' A' ' 89' ' ' LEU . 44.0 t0 -69.04 -52.3 30.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.989 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.739 HD12 ' N ' ' A' ' 89' ' ' LEU . 2.6 pp -53.19 -11.96 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.748 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.739 ' N ' HD12 ' A' ' 88' ' ' ILE . 0.8 OUTLIER -79.03 -36.94 40.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.464 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 71.4 mtm180 -73.16 -164.9 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.792 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.479 ' C ' ' H ' ' A' ' 93' ' ' TRP . 49.5 m -41.75 -27.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.798 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -58.25 -4.02 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.523 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.595 ' CD2' HD21 ' A' ' 97' ' ' LEU . 40.4 t-105 -73.14 102.93 3.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.503 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.485 ' N ' HD23 ' A' ' 97' ' ' LEU . 2.7 m -86.53 118.84 70.88 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.565 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -49.52 -7.71 0.09 OUTLIER 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 122.35 2.034 . . . . 0.0 112.309 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.468 ' H ' ' C ' ' A' ' 94' ' ' SER . . . -114.72 28.95 8.36 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.328 -179.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.718 ' C ' HD12 ' A' ' 97' ' ' LEU . 3.6 pp -104.03 152.03 22.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.718 0.294 . . . . 0.0 110.314 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.2 t -101.94 157.3 16.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.97 0.414 . . . . 0.0 110.895 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.519 ' N ' ' OE2' ' A' ' 9' ' ' GLU . 1.6 tp -70.52 -22.36 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.719 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.8 m -52.97 -49.95 65.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.255 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.529 ' HZ2' HG21 ' A' ' 88' ' ' ILE . 2.1 pttp -63.72 -36.61 84.41 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.023 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 37.5 t -52.94 -33.84 19.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.655 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.1 mt -67.07 -45.47 77.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.584 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.539 HD22 ' N ' ' A' ' 104' ' ' LEU . 3.7 mm? -60.02 -38.0 81.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.424 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.22 -48.31 62.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.351 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 72.4 mt -71.03 -53.99 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.525 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 20.0 t -50.97 -38.76 52.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.582 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.3 m -76.54 -30.13 56.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.57 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.1 tp -61.81 -36.07 80.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.526 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 40.7 mt -70.63 -32.07 69.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.354 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 10.7 t -75.03 -10.42 59.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.588 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 113' ' ' PRO . 40.2 t0 -157.6 72.22 4.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.44 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.426 ' O ' ' O ' ' A' ' 112' ' ' ASP . 78.1 Cg_exo -47.18 -176.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.852 2.368 . . . . 0.0 112.276 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -145.04 76.85 13.41 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.539 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -77.72 67.96 7.78 Favored 'Trans proline' 0 C--N 1.307 -1.606 0 C-N-CA 122.626 2.217 . . . . 0.0 111.975 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.423 ' O ' ' OD1' ' A' ' 117' ' ' ASP . 5.1 m-20 -154.66 -33.13 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.375 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 116' ' ' ASP . 2.5 m-20 -139.02 57.63 11.27 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.419 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -72.19 -175.58 1.8 Allowed 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.733 2.289 . . . . 0.0 112.049 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.3 tp -122.82 3.69 9.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.224 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.5 t -146.4 83.17 8.51 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.438 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -47.1 -24.77 3.66 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.653 2.235 . . . . 0.0 112.355 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -69.95 -52.06 27.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.548 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 83.1 mt -68.06 -41.89 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.499 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.28 -39.98 76.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.571 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 -54.89 -37.1 65.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.491 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.431 ' O ' ' O ' ' A' ' 130' ' ' ASP . 15.6 mm -69.34 -56.05 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.786 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -60.04 -31.51 70.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.205 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 18.0 tptt -50.62 -68.08 0.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.194 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 8.0 p -107.1 -42.18 4.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.636 0.255 . . . . 0.0 111.254 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 126' ' ' ILE . 3.0 m-20 -82.98 83.47 7.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.738 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 29.3 mmm-85 -91.36 -46.43 8.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.514 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -57.12 -41.48 79.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.569 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -75.26 -30.25 60.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.615 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -47.99 -46.19 32.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.547 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.459 HD22 ' N ' ' A' ' 135' ' ' ASN . 2.4 m120 -60.74 -37.18 80.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.581 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -53.88 -48.67 69.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.595 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.632 HD12 ' N ' ' A' ' 137' ' ' ILE . 1.5 mp -69.12 -30.8 47.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.307 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.7 m -72.19 -62.96 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.995 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -25.76 31.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.806 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -72.35 -50.16 28.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.288 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' TRP . . . . . 0.438 ' O ' ' N ' ' A' ' 145' ' ' TYR . 11.4 m95 -68.62 -16.18 63.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.653 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.441 ' HA ' ' HB3' ' A' ' 146' ' ' ALA . 25.7 m -65.57 -39.23 91.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.9 0.381 . . . . 0.0 110.844 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -76.5 -31.89 57.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.18 -0.464 . . . . 0.0 112.088 -179.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.406 ' HG2' ' H ' ' A' ' 144' ' ' LYS . 26.8 pttt -101.27 -18.76 15.96 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 141' ' ' TRP . 41.6 m-85 -128.6 19.43 6.21 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.87 -179.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 142' ' ' THR . . . -158.85 22.6 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.016 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 17.1 mmt . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.368 179.625 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.4 ttm . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -160.18 138.11 9.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.37 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.778 HD13 ' H ' ' B' ' 3' ' ' ILE . 0.1 OUTLIER -147.57 166.72 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.658 179.802 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -93.9 146.79 23.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 98.8 t -123.3 102.86 12.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.334 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.474 ' NZ ' ' HB2' ' A' ' 19' ' ' ALA . 16.7 tptm -83.23 142.33 31.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.504 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.4 m -121.34 160.23 24.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.416 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 tp -65.55 -23.22 66.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.55 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 34.3 p -79.72 1.94 24.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.578 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.62 3.38 86.32 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 25.7 tptt -75.66 135.39 40.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.937 0.399 . . . . 0.0 110.546 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 5.2 m -134.05 107.83 7.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.859 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 13.0 tt -131.53 144.41 37.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.748 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.413 ' O ' ' NZ ' ' B' ' 33' ' ' LYS . 43.1 p -75.69 146.27 40.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.439 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.728 HD13 ' N ' ' B' ' 16' ' ' GLU . 0.6 OUTLIER -122.15 124.72 44.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.057 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.728 ' N ' HD13 ' B' ' 15' ' ' LEU . 48.6 mt-10 -84.51 125.63 32.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.845 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.704 HG22 ' N ' ' B' ' 18' ' ' GLU . 13.6 p -149.5 174.43 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.808 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.704 ' N ' HG22 ' B' ' 17' ' ' VAL . 36.8 mt-10 -131.93 142.77 46.36 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.252 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -45.15 -34.24 9.26 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 122.483 2.122 . . . . 0.0 112.726 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 15.5 p -84.76 7.07 21.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.047 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -82.83 137.88 34.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.529 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 4.0 m -94.14 140.77 29.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.45 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.1 mm -42.54 -50.17 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.637 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -48.66 -37.5 18.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.808 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.441 ' O ' ' HB3' ' B' ' 28' ' ' ALA . 1.2 m120 -79.54 -42.39 25.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.7 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 38.4 t -53.07 -43.81 49.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.562 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.748 ' N ' ' HZ3' ' B' ' 27' ' ' LYS . 0.1 OUTLIER -61.22 -31.53 71.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.888 0.375 . . . . 0.0 110.136 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' B' ' 25' ' ' ASN . . . -64.48 -27.92 69.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.03 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -54.55 13.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.447 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 84.1 mt -56.86 -41.8 76.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.593 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.539 ' O ' ' N ' ' B' ' 35' ' ' GLY . 32.4 mt-30 -50.88 -50.79 56.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.628 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -75.55 -28.95 59.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.06 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.413 ' NZ ' ' O ' ' B' ' 14' ' ' THR . 21.1 tttt -72.64 -16.72 61.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.209 -179.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -129.09 -37.18 1.7 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.749 0.309 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . 100.97 15.02 29.71 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 34.1 mt -95.49 112.35 58.54 Favored Pre-proline 0 C--N 1.329 -0.293 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -51.47 154.0 9.43 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.051 1.834 . . . . 0.0 112.169 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -73.43 -7.84 20.92 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.907 2.405 . . . . 0.0 112.412 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' B' ' 39' ' ' ASP . 56.8 t0 -60.35 -16.4 34.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.571 -179.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -130.21 -29.03 2.07 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.647 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -70.92 124.72 24.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.068 0.461 . . . . 0.0 111.433 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.435 HH11 ' HB3' ' B' ' 42' ' ' ARG . 5.8 ptm85 -145.15 123.76 12.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.458 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 tp -86.01 149.05 25.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.167 0.508 . . . . 0.0 111.396 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 16.4 mt -141.57 136.74 31.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.253 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -112.64 120.86 42.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.388 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.43 29.43 15.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.417 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.1 -19.84 36.5 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -87.96 128.68 35.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.796 0.331 . . . . 0.0 110.623 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -60.51 137.89 58.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.55 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.3 mt -82.09 125.67 31.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.544 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -53.13 117.2 2.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.307 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -58.4 -39.46 79.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.904 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.55 59.35 2.57 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.452 -0.659 . . . . 0.0 111.452 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 8.2 mmt85 -148.15 164.09 34.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.788 0.328 . . . . 0.0 110.32 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 22.3 p -116.12 152.02 34.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.44 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.531 HD22 ' N ' ' B' ' 56' ' ' LEU . 3.9 mm? -57.03 -32.41 66.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.403 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 7.4 t -53.88 -30.61 46.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.367 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -84.9 -43.07 14.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.427 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -75.88 -12.55 60.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.19 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' B' ' 56' ' ' LEU . 7.8 t-20 70.35 -81.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.72 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.437 ' C ' ' O ' ' B' ' 60' ' ' ASN . 68.4 mt 35.05 87.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.694 0.283 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -68.94 176.46 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.697 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -58.01 158.4 6.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.546 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 65.04 47.47 2.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.666 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.0 m -104.98 149.29 25.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.541 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.9 m -107.4 108.97 20.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.611 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 10.8 mt -105.5 150.28 25.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.36 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -95.97 141.97 28.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.921 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.555 HD23 ' N ' ' B' ' 70' ' ' VAL . 2.4 tt -129.46 111.71 13.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.223 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.555 ' N ' HD23 ' B' ' 69' ' ' LEU . 0.3 OUTLIER -119.43 138.35 50.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.397 179.832 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.515 ' N ' HD12 ' B' ' 71' ' ' LEU . 7.8 mp -97.07 121.92 39.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.582 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -87.04 85.9 7.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.259 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.547 ' H ' HD12 ' B' ' 73' ' ' LEU . 3.8 mp . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.72 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 mt -51.84 -47.94 64.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.7 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.677 ' CD ' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -59.46 -36.23 75.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.744 -179.778 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 74.4 mtt-85 -75.4 -50.62 15.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.841 0.353 . . . . 0.0 110.433 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 78.6 mt -52.88 -38.98 29.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.572 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -60.92 -25.43 66.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.75 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -64.0 -49.88 70.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.589 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -57.53 -42.09 82.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.527 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.589 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -58.19 -31.55 67.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.348 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.2 m -59.88 -26.98 66.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.455 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -73.49 -48.73 31.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.536 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.4 mt -70.59 -25.15 62.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.471 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.41 -16.88 60.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.512 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -93.92 -51.35 4.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.424 ' O ' ' OD2' ' A' ' 16' ' ' ASP . 4.3 p-10 -167.63 90.33 0.7 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.818 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -54.1 158.95 8.33 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 122.557 2.172 . . . . 0.0 111.876 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' A' ' 21' ' ' CYS . 54.6 Cg_endo -71.11 137.87 32.43 Favored 'Trans proline' 0 C--N 1.309 -1.528 0 C-N-CA 122.585 2.19 . . . . 0.0 112.002 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.459 ' O ' HD12 ' B' ' 8' ' ' LEU . . . -75.04 -44.0 50.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.683 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -57.56 -54.51 45.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.674 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.433 ' O ' ' O ' ' A' ' 18' ' ' PRO . 10.8 p -113.64 -166.13 1.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.615 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.8 m -157.32 155.71 31.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.491 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.81 161.87 6.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.803 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.49 135.07 1.87 Allowed Glycine 0 CA--C 1.531 1.077 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.68 147.81 31.94 Favored 'Trans proline' 0 N--CA 1.492 1.421 0 C-N-CA 122.33 2.02 . . . . 0.0 112.153 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.2 m -92.01 133.73 32.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.37 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.455 ' C ' ' H ' ' A' ' 29' ' ' ASP . . . -57.04 -178.38 0.49 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.432 ' N ' ' OD1' ' A' ' 28' ' ' ASP . 0.6 OUTLIER 69.35 -10.44 0.55 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.694 0.283 . . . . 0.0 110.798 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.455 ' H ' ' C ' ' A' ' 27' ' ' GLY . 8.6 t70 -172.7 116.28 0.31 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.843 0.354 . . . . 0.0 110.853 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.95 -7.37 58.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.402 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.454 ' C ' ' HD1' ' A' ' 32' ' ' HIS . 6.3 m-85 -89.39 24.48 2.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.49 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.454 ' HD1' ' C ' ' A' ' 31' ' ' PHE . 32.0 m80 -144.25 120.88 11.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.408 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -120.86 163.15 18.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.508 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 -132.76 174.2 10.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.475 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.703 ' HB3' ' HB2' ' A' ' 52' ' ' LEU . . . -162.78 124.04 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.531 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.9 m -113.33 124.91 53.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.478 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 38' ' ' MET . 67.3 mt -130.52 157.19 42.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.499 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.499 ' SD ' ' O ' ' A' ' 38' ' ' MET . 3.5 ppp? -133.52 130.3 38.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.434 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.593 ' O ' ' O ' ' A' ' 40' ' ' PRO . . . -48.26 128.34 17.97 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.593 ' O ' ' O ' ' A' ' 39' ' ' GLY . 89.9 Cg_exo -40.59 -116.73 0.0 OUTLIER 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 122.852 2.368 . . . . 0.0 112.896 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -128.61 -60.3 1.11 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.65 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -81.5 28.74 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.657 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.53 155.11 38.24 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.352 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.44 ' C ' ' H ' ' A' ' 46' ' ' GLN . 55.8 Cg_endo -71.22 -53.96 0.17 Allowed 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 122.521 2.147 . . . . 0.0 111.977 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -77.32 22.4 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.418 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.525 HE21 ' C ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -64.92 150.89 47.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.505 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.497 ' O ' ' SD ' ' A' ' 147' ' ' MET . . . 83.36 21.26 58.84 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -136.99 161.64 25.16 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -108.02 152.67 9.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.767 0.318 . . . . 0.0 110.502 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -118.48 168.89 10.24 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.64 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -140.07 149.39 43.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.394 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.703 ' HB2' ' HB3' ' A' ' 35' ' ' ALA . 2.9 mt -147.71 163.0 38.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.406 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.14 106.73 3.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.333 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.1 mp -101.47 106.57 19.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -80.04 154.88 27.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.637 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.603 ' CE2' ' CE2' ' A' ' 60' ' ' TYR . 19.6 m-85 -122.71 105.74 35.26 Favored Pre-proline 0 CA--C 1.531 0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.598 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -75.29 157.02 41.75 Favored 'Trans proline' 0 C--N 1.313 -1.316 0 C-N-CA 122.074 1.849 . . . . 0.0 111.855 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -48.97 -28.58 3.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.94 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -101.47 23.29 11.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.084 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.603 ' CE2' ' CE2' ' A' ' 56' ' ' PHE . 18.4 t80 -44.3 -53.15 14.74 Favored Pre-proline 0 C--N 1.328 -0.362 0 C-N-CA 120.979 -0.289 . . . . 0.0 111.246 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 60' ' ' TYR . 11.2 Cg_endo -54.13 -13.67 5.19 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 122.28 1.987 . . . . 0.0 112.708 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -119.11 -49.5 2.4 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 121.031 -0.268 . . . . 0.0 111.093 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.491 ' NZ ' ' CB ' ' A' ' 63' ' ' LYS . 7.9 mtmp? -97.77 148.08 33.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.83 159.44 52.8 Favored 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 122.43 2.087 . . . . 0.0 111.869 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.91 171.64 17.77 Favored 'Trans proline' 0 C--N 1.308 -1.595 0 C-N-CA 122.701 2.267 . . . . 0.0 112.058 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -108.93 86.14 2.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.147 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.0 p -81.15 148.1 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.76 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -153.7 120.75 5.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.535 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.528 ' CZ ' HD11 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -74.51 108.85 7.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.358 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.6 p -62.13 -31.52 72.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.48 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.3 p -89.7 124.85 34.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.555 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.528 ' NH2' ' O ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -72.78 88.93 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.259 179.842 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 16.2 tt -97.95 144.65 10.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.455 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.482 ' CD2' HG21 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -98.92 101.98 13.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.531 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.521 ' CD2' ' OH ' ' A' ' 134' ' ' TYR . 1.1 t-80 -146.69 132.42 9.34 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.132 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -43.11 -52.11 5.08 Favored 'Trans proline' 0 C--N 1.312 -1.372 0 C-N-CA 122.449 2.099 . . . . 0.0 112.618 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' A' ' 85' ' ' CYS . 8.0 t-20 -76.09 -0.61 22.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.361 -179.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.552 HG22 ' N ' ' A' ' 79' ' ' ASN . 5.3 mm -126.04 166.11 22.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.805 0.336 . . . . 0.0 110.369 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.552 ' N ' HG22 ' A' ' 78' ' ' ILE . 54.0 p30 -144.55 -176.27 4.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.563 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.6 m -85.08 -18.26 34.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.676 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.738 ' H ' HD22 ' A' ' 81' ' ' ASN . 0.6 OUTLIER -73.16 -15.71 61.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.591 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.468 ' O ' HD12 ' A' ' 84' ' ' ILE . . . 88.05 11.1 68.0 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.401 ' HB3' HD21 ' A' ' 79' ' ' ASN . 5.6 t -86.98 109.47 19.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.73 0.3 . . . . 0.0 110.596 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.468 HD12 ' O ' ' A' ' 82' ' ' GLY . 5.2 mp -98.07 133.76 38.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.538 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.539 ' HB2' HD23 ' A' ' 119' ' ' LEU . 11.7 t -107.87 117.02 33.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.606 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 mt -145.29 162.74 36.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.219 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -64.0 -52.08 61.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.658 HD12 ' N ' ' A' ' 89' ' ' LEU . 2.7 pp -62.97 -11.7 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.76 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.658 ' N ' HD12 ' A' ' 88' ' ' ILE . 0.2 OUTLIER -93.11 24.6 3.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.991 0.424 . . . . 0.0 109.881 179.5 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' A' ' 92' ' ' GLN . 24.3 mtp85 -135.7 -159.97 1.01 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.393 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.545 ' C ' ' H ' ' A' ' 93' ' ' TRP . 8.3 t -38.07 -24.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.825 0.345 . . . . 0.0 110.942 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.535 ' N ' ' O ' ' A' ' 90' ' ' ARG . 33.9 mt-30 -71.93 29.03 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.48 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.545 ' H ' ' C ' ' A' ' 91' ' ' SER . 72.8 t-105 -92.81 110.26 21.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.58 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.55 ' O ' ' N ' ' A' ' 96' ' ' ALA . 1.2 m -94.88 121.51 62.53 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.458 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -45.7 -9.39 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 122.151 1.901 . . . . 0.0 112.3 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -143.4 65.76 1.32 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.995 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.485 ' H ' ' HG ' ' A' ' 97' ' ' LEU . 2.6 pp -104.08 152.06 22.53 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.475 179.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.55 ' O ' ' N ' ' A' ' 100' ' ' SER . 12.8 p -82.61 93.85 7.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.072 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 18.5 tt -38.53 -23.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.55 ' N ' ' O ' ' A' ' 98' ' ' THR . 40.7 t -53.34 -36.27 61.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.651 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.423 ' NZ ' ' CG2' ' A' ' 88' ' ' ILE . 3.9 ptmm? -72.07 -35.84 69.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.721 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 88.4 t -57.91 -50.23 78.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.479 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 103' ' ' LEU . 6.8 mp -66.81 -46.1 76.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.387 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.56 -40.32 91.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.414 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.6 m -50.19 -39.96 45.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.536 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 71.5 mt -60.19 -48.21 89.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.427 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 95.3 m -52.88 -37.24 60.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.541 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.1 t -73.56 -28.06 61.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.559 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 112' ' ' ASP . 6.3 tt -76.74 -43.41 37.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.489 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 96.1 mt -54.31 -45.86 72.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.496 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 10.1 t -82.9 5.06 23.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.582 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 109' ' ' LEU . 33.5 t0 -158.12 104.3 1.72 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.479 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -78.88 -174.17 2.17 Favored 'Trans proline' 0 C--N 1.313 -1.321 0 C-N-CA 122.289 1.993 . . . . 0.0 112.139 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -156.19 106.96 2.07 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.501 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.453 ' O ' ' CB ' ' A' ' 116' ' ' ASP . 72.4 Cg_endo -79.53 -158.0 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.346 0 C-N-CA 122.304 2.003 . . . . 0.0 111.984 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 115' ' ' PRO . 7.9 t70 81.11 73.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.992 0.425 . . . . 0.0 110.462 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 41.37 68.12 2.69 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_exo -62.92 -149.44 0.02 OUTLIER 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.743 2.296 . . . . 0.0 111.825 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.539 HD23 ' HB2' ' A' ' 85' ' ' CYS . 0.2 OUTLIER -83.97 -27.37 28.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.069 179.699 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.0 m -130.99 77.76 74.65 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.475 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -46.3 -17.75 0.37 Allowed 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.737 2.291 . . . . 0.0 112.347 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -61.85 -49.16 77.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.624 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.401 HD13 HG21 ' A' ' 123' ' ' ILE . 18.6 mt -73.51 -29.07 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.543 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.03 -45.93 82.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.712 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -54.96 -42.05 71.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.646 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 24.6 mt -70.81 -47.57 62.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.478 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -64.8 -31.18 72.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -50.51 -68.07 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.024 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.8 p -112.47 -42.16 3.72 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.647 0.261 . . . . 0.0 111.171 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -79.59 61.2 3.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.717 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -73.59 -20.67 60.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.578 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.5 -34.0 77.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.543 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 136' ' ' ARG . 20.8 ttmt -76.25 -50.78 13.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.49 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.521 ' OH ' ' CD2' ' A' ' 75' ' ' HIS . 71.8 t80 -47.66 -27.37 1.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.699 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.04 -46.29 65.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.791 -179.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.492 ' HG3' ' N ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -71.49 -33.56 69.37 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.135 -179.242 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.492 ' N ' ' HG3' ' A' ' 136' ' ' ARG . 11.0 mt -67.2 -30.83 50.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.868 0.366 . . . . 0.0 110.653 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 7.4 t -68.82 -55.02 12.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.315 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 5.4 ptt-85 -68.09 -24.87 65.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.2 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -68.19 -50.08 56.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.977 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -71.74 1.15 7.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.988 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.649 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 33.8 m -76.49 -60.51 2.31 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.161 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.416 ' O ' ' O ' ' A' ' 147' ' ' MET . 17.6 tt0 -65.8 -31.52 72.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.061 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 22.9 tttp -52.09 -48.04 64.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.339 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -133.28 -33.28 1.13 Allowed 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 142' ' ' THR . . . -67.55 -24.68 65.56 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.907 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . 0.497 ' SD ' ' O ' ' A' ' 47' ' ' GLY . 69.8 mtm . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.41 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 46.3 ttp . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -98.25 142.09 30.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.446 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.7 pt -140.15 145.08 26.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.427 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.456 ' CZ ' HG23 ' B' ' 14' ' ' THR . 30.9 m-85 -93.32 121.82 35.09 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.526 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.451 ' CG1' HD13 ' B' ' 69' ' ' LEU . 21.8 t -98.94 106.1 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.521 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -87.25 128.3 35.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.484 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 43.5 p -92.89 -175.88 4.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.81 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.459 HD12 ' O ' ' A' ' 19' ' ' ALA . 3.6 tp -75.97 5.09 7.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.575 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 18.1 p -123.89 9.8 8.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.626 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' B' ' 12' ' ' THR . . . 87.36 -26.35 7.16 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.76 94.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.788 0.327 . . . . 0.0 110.701 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.477 HG23 ' O ' ' B' ' 12' ' ' THR . 7.1 t -103.45 128.68 50.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.558 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 11.7 pt -138.54 143.97 31.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.458 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.456 HG23 ' CZ ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -74.97 143.22 43.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.424 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.421 HD12 HG21 ' B' ' 5' ' ' VAL . 0.5 OUTLIER -131.66 138.94 48.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.318 -179.877 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -95.8 120.19 35.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.558 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 6.9 m -148.16 144.63 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.535 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' B' ' 20' ' ' SER . 54.4 mm-40 -77.82 121.92 84.86 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.328 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -45.25 -12.72 0.06 OUTLIER 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 122.205 1.936 . . . . 0.0 112.318 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.506 ' N ' ' O ' ' B' ' 18' ' ' GLU . 15.9 p -103.09 -17.33 15.45 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.109 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' B' ' 18' ' ' GLU . 0.8 OUTLIER -65.83 129.93 41.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 0.0 110.169 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.4 p -76.12 145.27 40.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.525 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.537 HD13 ' HB3' ' B' ' 50' ' ' LEU . 9.7 mt -46.74 -33.94 2.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.076 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.408 ' O ' ' OE2' ' B' ' 24' ' ' GLU . 1.8 tm-20 -48.63 -34.97 12.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 110.572 -179.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.412 HD22 ' C ' ' B' ' 25' ' ' ASN . 0.3 OUTLIER -85.0 -29.91 24.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.541 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 89.7 t -59.47 -47.35 91.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.616 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.447 ' HZ2' ' HB3' ' B' ' 27' ' ' LYS . 0.3 OUTLIER -51.11 -33.27 25.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.422 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.77 -33.02 58.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.411 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -74.3 -52.94 10.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.53 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 16.3 tt -59.47 -31.83 47.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.132 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' B' ' 35' ' ' GLY . 4.3 tm0? -58.04 -54.14 50.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.53 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.411 ' OD2' ' OE1' ' B' ' 31' ' ' GLN . 9.2 m-20 -67.76 -28.95 68.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.76 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -66.06 0.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.974 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.455 ' HB2' HD11 ' B' ' 36' ' ' ILE . 39.9 mt-10 -81.26 -37.19 28.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.881 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . 113.6 -21.46 16.63 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.655 HD13 ' NE2' ' B' ' 41' ' ' GLN . 0.6 OUTLIER -61.91 143.7 94.29 Favored Pre-proline 0 C--N 1.33 -0.268 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.087 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -70.75 161.71 45.13 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.294 1.996 . . . . 0.0 112.055 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -62.69 -42.03 27.98 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.485 2.123 . . . . 0.0 112.277 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -54.89 -32.77 61.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.259 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -90.69 -1.89 57.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.064 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.655 ' NE2' HD13 ' B' ' 36' ' ' ILE . 73.6 mm-40 -94.39 126.0 39.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.941 0.4 . . . . 0.0 111.01 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.415 HH21 HE21 ' B' ' 49' ' ' GLN . 50.6 ttt85 -144.62 99.67 3.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.758 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.522 HD12 ' H ' ' B' ' 43' ' ' LEU . 1.3 mp -85.94 131.74 34.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.377 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.482 HG22 ' N ' ' B' ' 45' ' ' PHE . 48.3 mm -124.26 157.87 31.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.063 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.482 ' N ' HG22 ' B' ' 44' ' ' ILE . 28.0 t80 -160.05 130.5 5.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.846 0.355 . . . . 0.0 110.76 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 45.77 29.13 0.65 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.754 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.46 28.13 70.15 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' B' ' 45' ' ' PHE . 29.8 tttp -122.29 116.97 25.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.77 0.319 . . . . 0.0 110.42 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.415 HE21 HH21 ' B' ' 42' ' ' ARG . 85.5 mt-30 -59.34 119.74 8.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.538 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.537 ' HB3' HD13 ' B' ' 23' ' ' ILE . 6.7 mp -66.12 85.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.506 ' O ' HD12 ' B' ' 23' ' ' ILE . 28.4 mt-10 -48.06 127.55 12.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.644 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -55.01 -30.99 60.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.086 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.64 41.96 2.6 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.366 -0.693 . . . . 0.0 111.366 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -146.87 163.84 34.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.845 0.355 . . . . 0.0 110.405 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.508 ' O ' ' CE2' ' B' ' 59' ' ' TYR . 3.2 p -99.8 177.07 5.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.135 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.588 ' N ' HD12 ' B' ' 56' ' ' LEU . 8.2 mp -80.05 -49.26 12.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.828 0.347 . . . . 0.0 110.532 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 29.4 t -53.92 -28.37 36.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.743 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -50.57 -44.98 56.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.268 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.526 ' OH ' HD11 ' B' ' 23' ' ' ILE . 0.7 OUTLIER -86.68 -41.54 14.11 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.847 -179.625 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . 0.474 ' CG ' ' N ' ' B' ' 61' ' ' ILE . 5.4 t-20 172.23 -95.75 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.365 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.54 HD13 ' O ' ' B' ' 56' ' ' LEU . 5.1 mp 39.29 87.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.628 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.418 ' O ' ' O ' ' B' ' 63' ' ' LYS . 6.2 pt20 -102.37 62.51 0.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.574 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' B' ' 62' ' ' GLN . 16.7 ttpt 60.28 137.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.713 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 50.78 48.81 22.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.525 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.0 t -103.37 158.42 16.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.551 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.2 m -97.82 139.92 32.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.522 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 4.8 mp -131.93 146.48 52.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.512 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -93.18 144.44 25.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.7 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.451 HD13 ' CG1' ' B' ' 5' ' ' VAL . 2.7 tp -125.69 110.06 13.32 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.389 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 5.0 t -103.92 119.35 52.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.36 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.6 mp -84.6 125.72 32.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.789 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.45 HH11 ' CB ' ' B' ' 72' ' ' ARG . 0.0 OUTLIER -81.31 128.58 33.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.174 179.576 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 12.4 mt . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.732 -179.778 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 39.4 mt -61.84 -19.91 63.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.614 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.469 ' HD2' ' H ' ' A' ' 4' ' ' LYS . 1.5 mptp? -70.6 -49.53 46.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.61 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.413 ' H ' ' HD2' ' A' ' 5' ' ' ARG . 0.9 OUTLIER -74.98 -44.59 47.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.64 -179.841 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 84.0 mt -53.18 -42.72 47.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.575 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.422 ' O ' ' OD1' ' A' ' 7' ' ' ASN . 57.1 t-20 -67.92 -19.89 65.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.577 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -60.98 -47.03 88.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.556 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -65.33 -43.06 92.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.555 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 tp -49.96 -28.09 6.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.381 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.7 t -60.11 -49.13 78.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.447 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -71.01 -22.06 62.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.496 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 tp -77.13 -29.11 54.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.642 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.86 -18.47 32.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.729 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.26 -54.27 2.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.589 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -135.18 82.87 40.51 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.812 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -80.34 164.38 21.67 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.487 2.124 . . . . 0.0 111.867 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -51.41 127.98 24.15 Favored 'Trans proline' 0 C--N 1.31 -1.474 0 C-N-CA 122.372 2.048 . . . . 0.0 111.99 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.06 -43.92 50.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.608 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -77.21 -56.1 4.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.623 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.0 m -93.99 -155.91 0.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.711 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.0 m -170.45 167.26 8.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.487 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -157.33 175.99 13.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.597 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.25 119.83 0.51 Allowed Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.671 -0.971 . . . . 0.0 110.671 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -44.77 142.65 4.86 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 122.163 1.909 . . . . 0.0 112.097 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.418 ' C ' ' N ' ' A' ' 28' ' ' ASP . 21.2 t -77.23 143.16 13.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.552 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.69 -13.03 0.74 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.418 ' N ' ' C ' ' A' ' 26' ' ' VAL . 13.7 t70 -71.13 -63.22 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 110.379 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -170.16 176.79 4.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.399 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.429 ' O ' ' CD1' ' A' ' 33' ' ' TRP . 11.9 mtp -75.97 -18.7 59.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.71 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -63.71 -44.47 93.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.293 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.401 ' NE2' ' CD2' ' A' ' 55' ' ' HIS . 69.3 m80 -99.0 121.14 40.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.337 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.429 ' CD1' ' O ' ' A' ' 30' ' ' MET . 7.3 m95 -111.51 171.33 7.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.967 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -131.86 175.04 9.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.525 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -157.54 161.02 38.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.568 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.2 m -146.08 123.91 11.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.473 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 95.1 mt -135.33 142.46 39.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.729 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.3 ttt -103.17 145.19 30.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.147 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.56 143.61 46.39 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.31 -168.96 0.42 Allowed 'Trans proline' 0 N--CA 1.493 1.474 0 C-N-CA 122.494 2.13 . . . . 0.0 112.047 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -96.69 32.68 2.01 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.551 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -155.19 43.7 0.47 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.616 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.5 m -157.09 126.86 3.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.32 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.491 ' C ' ' H ' ' A' ' 46' ' ' GLN . 85.7 Cg_exo -41.44 -36.39 2.82 Favored 'Trans proline' 0 N--CA 1.491 1.328 0 C-N-CA 122.284 1.989 . . . . 0.0 112.329 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -60.63 -0.43 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.742 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.491 ' H ' ' C ' ' A' ' 44' ' ' PRO . 10.2 tt0 -46.11 131.62 9.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.455 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.437 ' HA2' ' H ' ' B' ' 73' ' ' LEU . . . 86.03 40.4 7.56 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -147.03 172.22 27.55 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.8 t -129.51 138.44 54.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.799 0.333 . . . . 0.0 110.477 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -104.72 159.23 15.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.711 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -140.09 131.62 27.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.17 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.533 HD21 ' CE2' ' A' ' 69' ' ' PHE . 3.3 mp -137.36 148.14 46.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.74 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.8 m -112.87 141.63 46.46 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.254 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.9 mp -118.9 119.48 61.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.624 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.401 ' CD2' ' NE2' ' A' ' 32' ' ' HIS . 12.1 t-80 -104.58 121.5 43.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.447 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -95.9 150.05 36.81 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.393 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -59.23 145.37 98.0 Favored 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 122.034 1.823 . . . . 0.0 111.282 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.3 p -81.12 9.13 7.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.114 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.651 ' O ' ' CG ' ' A' ' 60' ' ' TYR . 23.5 m-20 -117.76 -13.84 10.15 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.437 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.651 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 2.2 m-85 152.52 157.94 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.626 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.62 7.53 3.45 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.543 2.162 . . . . 0.0 113.232 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -87.87 -25.98 23.0 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.319 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -73.94 145.31 83.66 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.246 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -52.45 119.46 5.92 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.196 1.931 . . . . 0.0 112.087 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -79.12 172.07 15.37 Favored 'Trans proline' 0 N--CA 1.491 1.33 0 C-N-CA 122.377 2.051 . . . . 0.0 112.022 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -125.78 96.7 4.86 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.725 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.1 t -91.24 148.1 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.493 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -146.76 145.44 29.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.514 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.533 ' CE2' HD21 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -86.05 114.86 23.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.386 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.6 p -74.68 -48.1 27.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.822 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.8 m -70.39 157.43 37.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.572 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -82.27 93.09 7.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.454 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.1 tp -103.18 152.72 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.335 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -135.61 78.49 1.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.47 ' O ' ' O ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -124.17 147.03 53.33 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.317 -179.834 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -44.24 -63.67 0.31 Allowed 'Trans proline' 0 C--N 1.311 -1.408 0 C-N-CA 122.471 2.114 . . . . 0.0 112.692 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -77.69 8.95 3.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.583 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.47 ' O ' ' O ' ' A' ' 75' ' ' HIS . 6.4 mm -132.75 115.88 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 120.944 0.402 . . . . 0.0 110.555 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.731 HD22 ' H ' ' A' ' 81' ' ' ASN . 0.2 OUTLIER -90.57 148.74 22.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.478 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.721 ' N ' HD22 ' A' ' 79' ' ' ASN . 4.1 m -76.71 -1.52 28.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.579 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.731 ' H ' HD22 ' A' ' 79' ' ' ASN . 0.5 OUTLIER -86.94 -7.79 57.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.653 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.55 -2.84 42.57 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.7 m -77.36 94.23 4.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.821 0.343 . . . . 0.0 110.598 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 55.7 mt -99.87 108.44 22.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.503 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.412 ' SG ' HD23 ' A' ' 119' ' ' LEU . 11.9 t -70.11 117.27 11.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.753 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.1 mt -145.7 145.51 30.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.507 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -69.14 -52.02 32.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.954 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.507 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.1 OUTLIER -52.71 -21.09 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.719 -179.631 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.57 24.9 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.896 0.379 . . . . 0.0 110.306 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 61.5 mtt-85 -139.25 -103.01 0.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.483 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.497 ' C ' ' H ' ' A' ' 93' ' ' TRP . 10.2 t -98.06 -28.02 13.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.862 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -73.35 29.03 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.65 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.497 ' H ' ' C ' ' A' ' 91' ' ' SER . 70.3 t-105 -95.24 154.95 16.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.632 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.7 m -165.46 142.03 4.57 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.493 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -74.19 -0.09 9.15 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.38 2.053 . . . . 0.0 112.179 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -98.65 -43.67 6.73 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.985 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.9 pp -43.98 151.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.661 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 t -98.84 149.45 22.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.1 tp -52.9 -27.73 12.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.0 m -63.4 -37.27 86.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.034 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.567 ' HB3' ' HZ2' ' A' ' 101' ' ' LYS . 2.2 ttpm? -57.77 -51.1 70.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.173 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.9 p -69.22 -33.95 60.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.91 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.69 -50.02 75.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.567 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.456 HD13 ' SG ' ' A' ' 107' ' ' CYS . 4.1 mm? -68.05 -30.23 69.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.555 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 49.8 m -56.74 -33.48 66.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.627 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 85.0 mt -70.99 -56.07 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.551 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.456 ' SG ' HD13 ' A' ' 104' ' ' LEU . 15.1 p -54.4 -28.02 40.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.647 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 25.7 m -70.39 -46.27 64.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.54 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.54 -46.71 83.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.276 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 110' ' ' LEU . 0.2 OUTLIER -46.95 -35.52 6.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.34 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 15.8 t -73.05 -54.85 7.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.704 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -99.95 107.59 47.46 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.524 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -79.5 -162.97 0.2 Allowed 'Trans proline' 0 C--N 1.313 -1.336 0 C-N-CA 122.331 2.021 . . . . 0.0 112.084 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -155.25 74.2 5.47 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.668 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -79.56 74.69 5.43 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.766 2.311 . . . . 0.0 112.006 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -163.78 -58.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.585 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -146.64 58.21 4.26 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.46 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -72.46 -163.83 0.16 Allowed 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.741 2.294 . . . . 0.0 112.112 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.567 HD13 ' O ' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -86.44 -37.87 17.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.562 -179.716 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 4.0 t -119.56 83.4 27.44 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.748 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo -53.57 -22.34 21.74 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.739 2.293 . . . . 0.0 112.282 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -61.92 -51.96 66.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.582 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 36.0 mt -72.17 -26.41 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.495 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.02 -41.96 85.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.716 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -55.11 -42.09 72.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.725 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 130' ' ' ASP . 36.1 mt -59.14 -56.18 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.549 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -57.5 -31.21 65.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.604 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -50.46 -45.33 56.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.442 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 34.9 p -136.02 -42.18 0.66 Allowed 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.296 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 126' ' ' ILE . 37.1 m-20 -75.72 93.02 3.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.834 0.35 . . . . 0.0 110.564 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.8 tpp85 -97.86 -29.97 13.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.596 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.538 ' O ' ' ND2' ' A' ' 135' ' ' ASN . 10.0 t70 -70.54 -36.75 73.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.668 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -81.79 -37.49 27.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.517 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 134' ' ' TYR . 32.6 t80 -52.05 -30.93 27.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 132' ' ' ASP . 18.6 p30 -83.05 -31.18 27.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.007 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.52 ' N ' ' OD1' ' A' ' 135' ' ' ASN . 16.9 ttm-85 -63.08 -50.06 72.05 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.653 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.555 HD12 ' N ' ' A' ' 137' ' ' ILE . 1.3 mp -63.53 -53.36 46.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 36.0 m -53.4 -53.57 49.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.384 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -55.23 -24.98 30.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.447 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -73.48 -50.04 23.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.758 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -78.25 1.14 22.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.826 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.614 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 28.8 m -76.47 -60.38 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.2 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -76.19 -31.85 58.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.11 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.22 -54.66 15.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.312 -179.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . 0.528 ' C ' ' H ' ' A' ' 147' ' ' MET . 83.3 m-85 -132.46 -33.06 1.28 Allowed 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.699 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 142' ' ' THR . . . -69.21 37.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.865 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . 0.528 ' H ' ' C ' ' A' ' 145' ' ' TYR . 32.3 mtt . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.276 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 30.2 ttp . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -130.94 147.77 52.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.498 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.6 pt -143.53 158.5 16.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.47 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -94.02 139.94 30.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.532 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 16.6 t -132.99 102.77 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.327 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -98.33 127.93 44.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.654 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.9 m -92.8 156.25 17.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.458 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.2 tp -55.94 -21.95 23.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.422 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 19.4 p -70.52 -10.35 59.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.557 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.72 -16.82 59.83 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -64.4 151.08 45.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.791 0.329 . . . . 0.0 110.562 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.3 m -137.0 133.25 35.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.511 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 17.6 pt -151.02 147.01 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.57 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 17.2 p -85.52 148.1 26.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.556 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.444 HD23 ' H ' ' B' ' 16' ' ' GLU . 0.5 OUTLIER -124.0 139.16 54.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.478 -179.602 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.444 ' H ' HD23 ' B' ' 15' ' ' LEU . 88.3 mt-10 -88.26 115.24 25.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.516 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 9.8 m -146.86 -177.68 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.488 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -141.38 131.14 12.81 Favored Pre-proline 0 CA--C 1.532 0.251 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.314 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -44.71 -31.18 4.77 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 122.285 1.99 . . . . 0.0 112.503 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.0 m -83.63 -17.2 42.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.078 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -75.14 133.05 41.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.464 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.93 144.92 54.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.389 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.417 HD11 HH22 ' B' ' 54' ' ' ARG . 12.3 mt -60.52 -28.26 42.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.421 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' B' ' 25' ' ' ASN . 8.5 pt-20 -49.73 -39.24 36.58 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.538 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.429 ' N ' ' CG ' ' B' ' 24' ' ' GLU . 13.7 t-20 -75.88 -36.4 59.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.694 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 95.4 t -52.91 -34.0 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -67.02 -28.87 68.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.351 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.55 -36.05 52.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -80.33 -30.99 38.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.468 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 14.5 tt -74.2 -35.77 41.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.046 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.568 ' HA ' HD12 ' B' ' 36' ' ' ILE . 20.9 pt20 -71.29 -38.06 71.81 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.562 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -75.07 -28.83 60.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.705 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -71.01 -49.95 39.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.269 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -95.25 -37.33 11.06 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.122 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.21 28.17 6.59 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.585 HD13 HE21 ' B' ' 41' ' ' GLN . 0.6 OUTLIER -109.66 142.98 26.91 Favored Pre-proline 0 CA--C 1.533 0.311 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 179.906 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.04 132.0 13.66 Favored 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 122.515 2.144 . . . . 0.0 112.276 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -73.68 -11.12 23.98 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.45 2.1 . . . . 0.0 112.089 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -59.8 -23.8 63.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.325 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -130.04 -20.9 3.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.679 0.276 . . . . 0.0 111.027 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.585 HE21 HD13 ' B' ' 36' ' ' ILE . 0.0 OUTLIER -85.94 82.64 8.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.342 . . . . 0.0 110.603 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 1.9 ptp85 -88.52 139.3 30.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.585 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.579 HD12 ' N ' ' B' ' 43' ' ' LEU . 7.8 mp -91.12 142.85 27.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.443 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.703 HD12 HG21 ' B' ' 70' ' ' VAL . 82.1 mt -136.0 142.29 39.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.666 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -133.6 125.4 28.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.306 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.38 28.94 17.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.636 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.73 28.1 61.7 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -135.79 129.84 33.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.842 0.353 . . . . 0.0 110.568 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -67.67 146.02 54.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.468 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.9 mt -87.83 159.9 18.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -108.59 139.09 43.85 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.255 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.7 OUTLIER -79.0 -27.14 43.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 -179.576 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.29 -64.89 3.41 Favored Glycine 0 CA--C 1.529 0.914 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.499 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.613 ' HE ' ' CB ' ' B' ' 58' ' ' ASP . 3.2 ptm180 -76.84 177.11 7.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.103 0.478 . . . . 0.0 111.813 -178.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.583 ' O ' ' NH2' ' B' ' 54' ' ' ARG . 0.6 OUTLIER -108.94 164.4 12.44 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.707 -179.777 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.515 HD22 HD12 ' B' ' 61' ' ' ILE . 12.5 mt -53.27 -14.95 0.8 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.3 t -57.13 -28.86 63.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.484 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.613 ' CB ' ' HE ' ' B' ' 54' ' ' ARG . 3.0 t0 -76.92 -45.33 28.27 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.203 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -72.45 -10.21 59.51 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.244 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 54.29 52.76 11.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.647 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.515 HD12 HD22 ' B' ' 56' ' ' LEU . 71.9 mt -91.22 95.53 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.585 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -54.31 -172.66 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.603 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -81.76 175.86 10.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.645 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.523 ' N ' ' OE1' ' B' ' 64' ' ' GLU . 0.4 OUTLIER 47.77 25.45 0.71 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.488 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 7.3 p -87.22 136.47 32.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.53 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 12.0 p -87.89 140.96 28.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.503 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.11 140.2 53.27 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.319 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -91.84 112.15 23.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.14 121.78 34.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.172 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.703 HG21 HD12 ' B' ' 44' ' ' ILE . 88.6 t -103.98 161.14 4.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.664 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.555 ' N ' HG12 ' B' ' 70' ' ' VAL . 14.8 tp -136.0 106.62 6.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.393 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -93.64 105.51 17.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.476 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . 0.506 ' H ' HD12 ' B' ' 73' ' ' LEU . 4.0 mp . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.649 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.466 HD21 ' CZ ' ' A' ' 31' ' ' PHE . 26.6 mt -65.72 -20.22 66.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.57 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.473 ' HD2' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -79.1 -54.76 5.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.684 -179.888 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.703 ' HE ' ' N ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -55.48 -52.73 62.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.597 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 84.9 mt -53.09 -50.37 45.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.633 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' A' ' 3' ' ' LEU . 4.6 m-20 -52.93 -26.17 14.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.627 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -66.58 -44.08 83.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.442 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -61.58 -25.09 67.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.491 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.567 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -73.73 -42.34 61.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.398 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.5 m -63.52 -36.11 82.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.46 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -72.68 -29.2 63.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.558 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 mt -62.34 -49.11 76.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.461 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.06 -40.67 52.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.75 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 -74.96 -11.33 60.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.567 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -170.96 74.15 0.55 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.583 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -62.26 133.6 44.39 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.737 2.291 . . . . 0.0 111.69 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -51.22 132.65 39.74 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 121.895 1.73 . . . . 0.0 111.508 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.12 -52.08 11.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.541 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.599 ' NE2' ' SG ' ' A' ' 107' ' ' CYS . 11.8 tt0 -84.27 6.86 21.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.317 -179.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.508 ' SG ' ' O ' ' A' ' 20' ' ' GLN . 44.3 m -153.95 -162.77 1.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.936 0.398 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.8 p -179.0 108.39 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.26 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.45 175.86 5.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.024 0.44 . . . . 0.0 110.951 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -176.07 136.67 3.37 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.533 -1.027 . . . . 0.0 110.533 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.86 143.28 32.97 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.329 2.02 . . . . 0.0 112.132 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.2 m -130.1 153.97 39.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.488 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.29 155.23 27.81 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -62.11 -24.5 67.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 110.457 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -95.34 157.01 16.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.66 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.402 ' HE2' ' HE1' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -90.49 6.79 42.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.389 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.466 ' CZ ' HD21 ' A' ' 3' ' ' LEU . 43.6 m-85 -81.24 -33.83 32.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.644 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -90.47 123.43 34.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.684 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.402 ' HE1' ' HE2' ' A' ' 30' ' ' MET . 4.4 m95 -127.02 173.43 9.66 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.882 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -146.56 175.16 10.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.803 0.335 . . . . 0.0 110.522 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.455 ' HB1' ' CD2' ' A' ' 103' ' ' LEU . . . -151.39 161.94 41.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.504 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.7 m -141.74 125.23 16.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.505 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 65.7 mt -130.27 139.8 50.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.562 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 19.6 ttm -104.18 152.79 21.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.459 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.533 ' O ' ' O ' ' A' ' 40' ' ' PRO . . . -68.16 124.35 19.54 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.533 ' O ' ' O ' ' A' ' 39' ' ' GLY . 82.4 Cg_exo -40.11 -109.88 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 122.689 2.259 . . . . 0.0 112.688 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.464 ' H ' ' HB2' ' A' ' 40' ' ' PRO . 64.3 m-80 -155.59 -68.15 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.78 0.324 . . . . 0.0 110.509 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -68.35 -6.92 26.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.553 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.406 ' C ' ' H ' ' A' ' 45' ' ' TYR . 4.9 m -81.91 151.17 66.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.414 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.92 38.4 0.31 Allowed 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.555 2.17 . . . . 0.0 112.09 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.406 ' H ' ' C ' ' A' ' 43' ' ' SER . 97.5 m-85 -141.73 27.1 1.86 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.578 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -48.9 116.89 1.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.595 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.8 43.94 26.69 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -107.69 115.72 4.63 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 m -106.8 109.86 29.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.93 0.395 . . . . 0.0 110.506 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.508 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 2.6 m-85 -104.13 160.84 14.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.531 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -140.17 111.92 7.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.753 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.2 pp -114.45 148.77 37.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.122 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -94.92 157.12 16.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.772 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.4 mt -131.61 115.48 28.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.148 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -112.31 127.74 56.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.586 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -108.62 104.79 55.46 Favored Pre-proline 0 CA--C 1.53 0.211 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.737 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -56.66 167.97 2.57 Favored 'Trans proline' 0 N--CA 1.492 1.432 0 C-N-CA 121.98 1.787 . . . . 0.0 111.363 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.448 ' H ' HG22 ' A' ' 58' ' ' THR . 0.0 OUTLIER -60.61 -40.83 93.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.95 0.405 . . . . 0.0 110.155 179.667 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -86.73 23.57 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.231 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.602 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 19.6 t80 -59.46 -37.49 51.87 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.555 -179.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 60' ' ' TYR . 31.7 Cg_exo -57.82 -11.74 10.24 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.022 1.815 . . . . 0.0 112.023 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -123.47 -49.01 1.92 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -91.18 146.34 33.34 Favored Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.11 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -53.32 167.34 0.84 Allowed 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 122.349 2.033 . . . . 0.0 111.873 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -85.01 172.11 8.86 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.837 2.358 . . . . 0.0 112.19 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 42.6 tttm -114.39 82.14 1.66 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.229 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.6 t -81.33 148.07 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.704 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -147.44 125.68 12.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.611 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -86.4 115.81 24.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.284 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.7 p -79.13 -48.18 14.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.124 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.3 m -64.69 97.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.735 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.3 mtp85 -49.85 113.07 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.407 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.436 HG23 ' O ' ' A' ' 73' ' ' ILE . 13.2 tt -134.15 128.9 53.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.341 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.08 94.9 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.968 0.413 . . . . 0.0 110.097 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.787 ' CE1' HD21 ' A' ' 77' ' ' ASN . 1.0 OUTLIER -145.37 117.54 5.22 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.972 -179.566 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.534 ' C ' ' H ' ' A' ' 78' ' ' ILE . 81.6 Cg_exo -41.64 -51.46 4.32 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 122.319 2.013 . . . . 0.0 112.716 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.787 HD21 ' CE1' ' A' ' 75' ' ' HIS . 0.2 OUTLIER -63.93 7.07 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.82 -179.868 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.534 ' H ' ' C ' ' A' ' 76' ' ' PRO . 7.1 mt -147.88 129.19 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.922 0.391 . . . . 0.0 110.833 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.552 HD22 ' C ' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -99.94 -164.19 1.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.471 179.885 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 75.1 m -76.67 -7.48 55.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.466 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.52 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 81.0 m-20 -90.31 -16.09 29.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.614 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.407 ' O ' ' CD1' ' A' ' 84' ' ' ILE . . . 91.88 -7.27 79.25 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.513 ' H ' HD21 ' A' ' 79' ' ' ASN . 53.1 m -54.94 118.13 4.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.716 0.293 . . . . 0.0 110.432 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.41 HD12 ' H ' ' A' ' 84' ' ' ILE . 3.4 mp -104.76 123.33 58.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.733 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 67.2 m -93.77 113.04 25.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.331 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.1 mt -123.83 175.59 6.81 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.527 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -69.14 -52.31 29.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.428 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.735 ' N ' HD13 ' A' ' 88' ' ' ILE . 0.2 OUTLIER -64.09 -31.86 55.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.034 -179.468 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.65 36.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.515 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.469 ' H ' ' C ' ' A' ' 88' ' ' ILE . 74.4 mtt180 -150.61 -120.16 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.546 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.497 ' C ' ' H ' ' A' ' 93' ' ' TRP . 16.1 p -85.89 -29.83 23.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.666 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.421 ' CD ' ' O ' ' A' ' 92' ' ' GLN . 0.0 OUTLIER -75.18 29.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.274 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.588 ' CE3' HD21 ' A' ' 97' ' ' LEU . 75.9 t-105 -87.81 155.96 19.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.773 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.54 ' O ' HD23 ' A' ' 97' ' ' LEU . 3.3 m -168.73 136.54 1.67 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.218 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -68.82 2.1 3.3 Favored 'Trans proline' 0 C--N 1.31 -1.462 0 C-N-CA 122.035 1.823 . . . . 0.0 112.027 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.05 -36.49 12.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.526 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.588 HD21 ' CE3' ' A' ' 93' ' ' TRP . 2.3 pp -53.8 152.1 5.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.587 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.3 p -107.68 174.0 6.07 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.937 0.399 . . . . 0.0 110.801 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.3 mm -87.42 -20.69 7.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.452 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.2 m -57.82 -48.69 79.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.785 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.63 -34.73 76.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 69.0 t -52.5 -33.93 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.485 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.455 ' CD2' ' HB1' ' A' ' 35' ' ' ALA . 19.1 mt -61.22 -42.43 98.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.156 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 15.2 mt -67.3 -36.05 80.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.37 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.2 m -52.1 -45.99 65.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.514 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 69.9 mt -68.03 -42.77 85.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.421 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.599 ' SG ' ' NE2' ' A' ' 20' ' ' GLN . 6.4 t -59.88 -50.44 73.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.391 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.0 t -51.92 -45.71 64.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.464 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -64.05 -52.02 61.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.156 179.831 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.403 HD12 ' CD2' ' A' ' 75' ' ' HIS . 2.5 tp -54.14 -26.03 25.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.463 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 9.5 t -68.92 -43.05 75.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.521 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -146.28 129.69 8.28 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.335 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -76.4 -163.65 0.21 Allowed 'Trans proline' 0 N--CA 1.492 1.422 0 C-N-CA 122.286 1.991 . . . . 0.0 112.124 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.571 ' O ' ' O ' ' A' ' 115' ' ' PRO . 13.5 t-20 -161.78 118.53 1.34 Allowed Pre-proline 0 CA--C 1.533 0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.319 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.571 ' O ' ' O ' ' A' ' 114' ' ' ASN . 96.9 Cg_exo -42.34 -118.22 0.0 OUTLIER 'Trans proline' 0 N--CA 1.497 1.73 0 C-N-CA 122.687 2.258 . . . . 0.0 112.804 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 116' ' ' ASP . 0.5 OUTLIER 59.73 -152.57 0.39 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.841 0.353 . . . . 0.0 110.722 -179.761 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -135.15 71.04 68.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.07 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -61.94 -151.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.985 2.457 . . . . 0.0 112.323 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.2 mt -55.18 -59.13 5.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.86 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.8 t -117.95 84.27 20.71 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.803 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -50.56 -19.76 5.38 Favored 'Trans proline' 0 C--N 1.309 -1.543 0 C-N-CA 122.664 2.242 . . . . 0.0 112.21 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -61.84 -52.06 65.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.464 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 79.0 mt -57.38 -41.47 78.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.511 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.98 -36.09 81.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.553 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -56.25 -34.21 66.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.426 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 65.0 mt -74.1 -47.26 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.293 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -60.09 -30.74 69.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.733 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.02 -68.12 0.2 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.016 -178.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.53 HG23 ' N ' ' A' ' 130' ' ' ASP . 14.5 t -109.95 -42.28 4.26 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.733 0.302 . . . . 0.0 111.234 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.53 ' N ' HG23 ' A' ' 129' ' ' THR . 1.6 m-20 -76.33 81.53 3.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.732 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.449 ' HE ' ' HA ' ' A' ' 131' ' ' ARG . 0.1 OUTLIER -89.92 -32.12 16.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.301 179.743 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -55.19 -49.03 72.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.632 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -70.34 -49.44 49.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.447 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -48.08 -31.25 5.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.441 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -72.03 -32.57 67.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.617 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -69.74 -50.11 46.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.765 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.569 HD12 ' N ' ' A' ' 137' ' ' ILE . 1.5 mp -61.47 -55.02 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.585 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . 0.432 ' O ' ' OG1' ' A' ' 142' ' ' THR . 38.9 m -52.41 -41.15 62.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.287 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 31.4 ttt85 -77.55 -26.49 50.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.296 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' A' ' 140' ' ' GLU . 0.0 OUTLIER -73.58 -50.11 22.91 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.642 -179.738 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -71.42 1.32 6.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.953 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.619 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 97.4 m -78.0 -60.24 2.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.876 0.369 . . . . 0.0 111.149 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -69.65 -31.79 70.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.422 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -52.58 -50.27 63.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.787 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . 0.462 ' C ' ' H ' ' A' ' 147' ' ' MET . 44.8 m-85 -133.21 -33.12 1.15 Allowed 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 120.594 -0.442 . . . . 0.0 112.063 -178.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 142' ' ' THR . . . -69.53 43.75 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.981 -179.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . 0.462 ' H ' ' C ' ' A' ' 145' ' ' TYR . 4.9 mmt . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.229 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.9 tpp . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -73.62 105.91 5.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.435 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 37.2 pt -124.26 159.79 29.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.654 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -97.06 142.33 29.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.263 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 76.4 t -129.84 103.04 7.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.394 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -90.14 155.09 19.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.514 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 6.0 m -132.69 160.96 35.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.502 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.593 ' O ' HD23 ' B' ' 8' ' ' LEU . 0.9 OUTLIER -56.06 -39.14 71.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.485 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . 0.479 ' C ' ' H ' ' B' ' 11' ' ' LYS . 20.5 p -75.21 19.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' B' ' 8' ' ' LEU . . . 74.56 -21.69 1.48 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.479 ' H ' ' C ' ' B' ' 9' ' ' THR . 5.8 tmtm? -44.11 115.91 0.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.716 0.293 . . . . 0.0 110.387 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -135.78 122.78 21.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.729 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 12.3 pt -151.03 145.3 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.419 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.96 139.92 57.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.377 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.484 HD12 ' HD2' ' B' ' 33' ' ' LYS . 0.8 OUTLIER -116.67 165.13 13.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.555 -179.747 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -117.33 119.79 36.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.197 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.415 HG12 ' N ' ' B' ' 18' ' ' GLU . 3.7 t -133.4 161.25 41.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.939 0.399 . . . . 0.0 110.961 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' B' ' 20' ' ' SER . 3.5 tp10 -104.17 124.74 36.42 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.051 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -44.86 -10.73 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 122.226 1.951 . . . . 0.0 112.465 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.541 ' N ' ' O ' ' B' ' 18' ' ' GLU . 4.4 m -112.03 -17.2 12.91 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.894 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' B' ' 18' ' ' GLU . 18.9 m-20 -62.55 136.21 57.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 110.379 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.2 p -81.79 176.49 9.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.607 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.569 HG22 ' NZ ' ' B' ' 27' ' ' LYS . 7.6 mm -75.0 -20.16 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.721 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -70.15 -32.42 70.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.938 0.399 . . . . 0.0 110.121 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.31 -44.11 13.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.042 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -52.74 -33.95 19.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.246 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.569 ' NZ ' HG22 ' B' ' 23' ' ' ILE . 35.6 mttp -62.8 -31.27 72.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.9 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.15 -27.66 53.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.66 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -76.1 -29.61 57.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.05 -179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.657 HD13 HD12 ' B' ' 69' ' ' LEU . 90.1 mt -75.51 -52.35 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.732 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.34 -29.94 64.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 110.352 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -75.2 -29.0 60.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.727 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.484 ' HD2' HD12 ' B' ' 15' ' ' LEU . 25.1 ttmt -100.45 -17.64 17.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.26 -179.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' B' ' 30' ' ' ILE . 33.7 mt-10 -108.46 -36.98 6.08 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 121.111 -0.236 . . . . 0.0 110.602 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.67 -22.21 34.56 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.408 HG21 HD13 ' B' ' 36' ' ' ILE . 4.2 pt -61.69 114.96 12.68 Favored Pre-proline 0 CA--C 1.533 0.326 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.376 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.35 142.0 38.85 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.163 1.909 . . . . 0.0 112.344 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.483 ' C ' ' H ' ' B' ' 40' ' ' GLN . 72.3 Cg_exo -43.08 -39.62 8.28 Favored 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 122.702 2.268 . . . . 0.0 112.755 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -55.18 -1.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.733 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.483 ' H ' ' C ' ' B' ' 38' ' ' PRO . 59.6 mt-30 -126.22 -1.81 6.99 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 121.001 -0.279 . . . . 0.0 111.159 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.68 HE21 ' N ' ' B' ' 41' ' ' GLN . 0.0 OUTLIER -76.98 121.19 23.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.961 0.41 . . . . 0.0 111.491 -179.371 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -145.36 105.3 4.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.719 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.508 ' N ' HD22 ' B' ' 43' ' ' LEU . 3.7 mm? -85.86 139.71 31.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.101 0.476 . . . . 0.0 111.097 -179.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' B' ' 49' ' ' GLN . 2.4 tp -137.97 131.76 42.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.917 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -139.54 137.05 35.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.612 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.92 37.97 25.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.54 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.43 15.07 58.69 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -126.26 137.02 53.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.805 0.336 . . . . 0.0 110.501 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.462 ' HA ' HD12 ' B' ' 44' ' ' ILE . 19.3 pt20 -74.53 142.0 44.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.499 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.788 ' N ' HD12 ' B' ' 50' ' ' LEU . 4.7 mp -87.91 132.89 34.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.592 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -61.33 148.29 41.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.291 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -68.98 -24.75 64.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.857 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -117.72 73.29 0.29 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.475 ' CB ' ' OH ' ' B' ' 59' ' ' TYR . 1.8 mmt-85 -153.27 144.89 23.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.789 0.328 . . . . 0.0 110.194 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.46 ' OG1' ' OD2' ' B' ' 58' ' ' ASP . 6.9 p -91.65 147.43 23.01 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.599 HD12 HG13 ' B' ' 61' ' ' ILE . 1.9 mm? -58.65 -36.9 74.86 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.687 -0.405 . . . . 0.0 109.954 -179.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.434 ' O ' ' ND2' ' B' ' 60' ' ' ASN . 30.9 t -55.83 -29.06 59.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.607 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.46 ' OD2' ' OG1' ' B' ' 55' ' ' THR . 64.1 m-20 -64.27 -45.12 89.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.673 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.475 ' OH ' ' CB ' ' B' ' 54' ' ' ARG . 24.6 m-85 -80.32 -1.39 40.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.427 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . 0.439 ' N ' HD22 ' B' ' 60' ' ' ASN . 1.5 m120 56.52 69.32 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.599 HG13 HD12 ' B' ' 56' ' ' LEU . 30.9 mm -81.23 166.56 2.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.256 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . 0.575 ' N ' HG22 ' B' ' 61' ' ' ILE . 74.1 mt-30 -124.31 158.18 33.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.468 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.71 ' HZ2' ' CD ' ' B' ' 64' ' ' GLU . 4.9 ttpp -56.19 144.97 27.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.276 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.71 ' CD ' ' HZ2' ' B' ' 63' ' ' LYS . 7.3 mp0 55.6 29.41 13.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.402 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.1 t -52.6 168.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.556 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.9 m -130.19 110.7 11.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.647 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -122.42 155.42 36.13 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.126 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -110.51 144.56 39.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.328 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.657 HD12 HD13 ' B' ' 30' ' ' ILE . 5.5 tt -122.65 118.41 28.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.667 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.623 ' N ' HD23 ' B' ' 69' ' ' LEU . 17.1 m -104.94 136.21 39.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.329 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 24.9 mt -84.23 115.66 22.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.527 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.441 ' HG2' ' H ' ' B' ' 72' ' ' ARG . 13.0 ptm180 -85.67 121.21 28.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.444 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 2.8 mp . . . . . 0 C--N 1.332 -0.194 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.447 -179.834 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.757 HD22 ' N ' ' A' ' 3' ' ' LEU . 2.6 mm? -58.6 -36.92 74.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.216 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.3 pttt -79.13 -49.22 12.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.747 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -57.44 -55.36 35.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.801 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.4 mt -53.02 -38.92 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.566 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -66.3 -19.86 65.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.615 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.86 -50.08 74.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.437 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -67.11 -34.7 78.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.639 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.59 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -57.04 -37.95 72.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.512 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.8 t -59.94 -50.34 74.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.66 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -73.74 -21.98 60.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.575 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.7 tp -76.84 -48.61 17.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.658 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.66 -60.79 2.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.779 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.2 mtp-105 -44.67 -38.45 4.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.769 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -161.57 90.8 1.47 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.653 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -79.21 150.65 22.9 Favored 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 122.305 2.004 . . . . 0.0 111.893 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -51.65 127.83 24.09 Favored 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 122.166 1.911 . . . . 0.0 111.926 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.11 -35.26 61.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.546 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -59.36 -25.84 64.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.716 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.2 p -161.99 137.28 7.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.805 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 t -88.46 149.97 23.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.336 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.422 ' HB1' ' O ' ' A' ' 34' ' ' GLN . . . -163.8 159.16 20.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.74 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.9 154.14 11.2 Favored Glycine 0 CA--C 1.528 0.871 0 N-CA-C 110.811 -0.915 . . . . 0.0 110.811 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -73.23 148.03 43.27 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 122.61 2.207 . . . . 0.0 112.09 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.7 t -85.55 131.6 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.486 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 52.42 -167.52 0.93 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -78.44 -1.59 34.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 110.589 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -71.16 101.49 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.544 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.525 ' O ' ' CG ' ' A' ' 31' ' ' PHE . 1.9 mmt -84.49 81.19 8.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.409 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.525 ' CG ' ' O ' ' A' ' 30' ' ' MET . 38.7 m-85 -163.85 -39.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.703 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -101.65 120.77 40.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.881 0.372 . . . . 0.0 110.841 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -117.51 155.66 29.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.759 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.422 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 3.0 pt20 -146.07 170.87 15.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.771 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -159.8 175.73 12.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.436 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.2 t -146.04 154.46 41.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.621 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.9 mt -142.09 136.92 30.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.539 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.494 ' SD ' ' O ' ' B' ' 71' ' ' LEU . 10.5 ttp -107.96 148.74 29.27 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.639 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 41' ' ' ASN . . . -47.37 109.16 0.38 Allowed Glycine 0 CA--C 1.531 1.079 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.512 ' CB ' ' SG ' ' A' ' 111' ' ' CYS . 77.0 Cg_exo -47.24 -6.9 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.309 2.006 . . . . 0.0 112.308 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.539 ' N ' ' O ' ' A' ' 39' ' ' GLY . 2.7 m-20 74.34 48.45 0.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.554 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 2.3 m-20 -155.06 -47.21 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.352 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.89 162.78 48.73 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.215 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.513 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 37.5 Cg_endo -67.54 76.57 0.53 Allowed 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.562 2.175 . . . . 0.0 112.016 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.513 ' CD2' ' O ' ' A' ' 44' ' ' PRO . 3.3 m-85 -175.54 15.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -52.66 133.02 36.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.654 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.89 -0.56 88.27 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -90.85 111.43 3.95 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.405 ' O ' HG23 ' A' ' 49' ' ' VAL . 32.6 m -86.22 131.28 34.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.743 0.306 . . . . 0.0 110.367 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -113.24 146.44 39.32 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.746 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -131.66 135.13 46.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.186 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.3 pp -138.28 130.66 28.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.548 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.533 HG22 ' N ' ' A' ' 54' ' ' ILE . 29.0 m -95.04 163.34 13.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.417 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.564 HG22 ' N ' ' A' ' 55' ' ' HIS . 63.0 mt -128.61 162.64 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.237 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.564 ' N ' HG22 ' A' ' 54' ' ' ILE . 93.9 m-70 -145.39 106.19 4.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.578 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -80.74 140.22 50.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.224 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -73.95 157.69 46.88 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.421 2.081 . . . . 0.0 112.029 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.5 p -79.76 0.05 32.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.336 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.479 ' C ' ' CG ' ' A' ' 60' ' ' TYR . 1.2 m-20 -109.34 23.11 14.94 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.523 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 62' ' ' PHE . 4.6 m-85 74.33 149.86 0.13 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.581 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.475 ' O ' ' N ' ' A' ' 63' ' ' LYS . 96.0 Cg_exo -37.71 -23.05 0.05 OUTLIER 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 122.59 2.193 . . . . 0.0 112.306 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 60' ' ' TYR . 16.3 m-85 -45.19 -17.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.236 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 61' ' ' PRO . 12.8 mttt -107.16 139.29 20.31 Favored Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.263 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -52.57 117.86 4.1 Favored 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 122.023 1.816 . . . . 0.0 111.773 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -79.01 146.53 20.4 Favored 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 122.222 1.948 . . . . 0.0 111.999 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -88.19 139.02 30.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.798 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.5 t -137.13 143.44 34.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.013 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -140.79 170.88 14.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.995 0.426 . . . . 0.0 110.897 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.472 ' H ' ' HA3' ' A' ' 82' ' ' GLY . 0.1 OUTLIER -120.81 104.21 9.69 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.21 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.433 HG22 ' H ' ' A' ' 70' ' ' THR . 0.1 OUTLIER -66.03 -26.71 67.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.707 -179.78 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.1 m -87.02 143.36 27.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.675 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.2 mmt-85 -83.77 94.17 8.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.337 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.558 HG23 ' O ' ' A' ' 73' ' ' ILE . 3.3 tt -104.39 122.45 57.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.233 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -89.61 52.64 2.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.739 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -97.46 135.17 21.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.966 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -69.08 66.58 1.37 Allowed 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.104 1.869 . . . . 0.0 111.972 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.457 ' ND2' HD11 ' A' ' 109' ' ' LEU . 3.9 t-20 -173.86 -6.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.406 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 42.4 mt -132.64 128.37 57.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.369 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.664 ' ND2' ' H ' ' A' ' 80' ' ' SER . 0.4 OUTLIER -73.5 -159.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.707 -179.777 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.664 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 15.5 p -84.41 -37.1 21.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.744 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.476 ' ND2' ' OG ' ' A' ' 83' ' ' SER . 27.8 p-10 -72.94 1.46 8.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.5 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.472 ' HA3' ' H ' ' A' ' 69' ' ' PHE . . . 80.3 33.35 32.26 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.476 ' OG ' ' ND2' ' A' ' 81' ' ' ASN . 39.1 m -73.62 102.52 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 0.0 110.431 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.6 mt -91.9 127.76 43.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.592 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 85' ' ' CYS . 31.2 p -81.56 113.01 19.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.36 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.5 mt -133.87 111.35 10.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.337 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -59.44 -24.09 63.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.758 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.467 ' N ' HD13 ' A' ' 88' ' ' ILE . 3.4 mm -51.95 -47.61 41.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.44 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.487 HD12 ' N ' ' A' ' 89' ' ' LEU . 9.7 mp -53.15 -38.83 63.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.977 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 92' ' ' GLN . 61.6 mtp180 -65.64 -167.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.66 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.434 ' C ' ' H ' ' A' ' 93' ' ' TRP . 15.7 t -37.36 -26.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.218 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.526 ' N ' ' O ' ' A' ' 90' ' ' ARG . 27.1 mm-40 -77.32 28.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.649 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.434 ' H ' ' C ' ' A' ' 91' ' ' SER . 71.0 t-105 -105.38 102.95 12.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.564 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.545 ' O ' ' N ' ' A' ' 96' ' ' ALA . 1.0 OUTLIER -87.12 121.73 71.35 Favored Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.363 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -45.76 -9.52 0.04 OUTLIER 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 122.122 1.881 . . . . 0.0 112.167 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -145.08 67.48 1.24 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.466 ' H ' ' HG ' ' A' ' 97' ' ' LEU . 2.4 pp -104.01 150.54 24.15 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.426 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.54 ' O ' ' N ' ' A' ' 100' ' ' SER . 7.2 m -83.15 94.33 7.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.073 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 17.6 tt -38.63 -23.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.54 ' N ' ' O ' ' A' ' 98' ' ' THR . 97.2 p -53.07 -37.58 61.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.701 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -70.61 -36.38 73.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.858 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.1 t -57.61 -52.23 59.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.744 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.407 HD12 ' N ' ' A' ' 103' ' ' LEU . 10.0 mp -51.93 -46.78 64.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.529 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.03 -39.06 84.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.342 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.2 m -53.53 -41.23 66.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.36 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 86.9 mt -71.06 -34.48 55.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.517 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 47.6 t -65.04 -45.14 86.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.1 p -70.68 -24.93 62.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.642 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.457 HD11 ' ND2' ' A' ' 77' ' ' ASN . 32.5 tp -57.93 -47.57 82.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.68 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 110' ' ' LEU . 7.3 mp -73.96 -36.34 64.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.712 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.512 ' SG ' ' CB ' ' A' ' 40' ' ' PRO . 1.8 m -79.46 5.08 13.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.609 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -170.82 68.23 0.5 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.692 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.89 163.69 28.35 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.685 2.257 . . . . 0.0 111.946 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -145.27 72.99 14.46 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.524 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_exo -48.75 113.08 0.75 Allowed 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.792 2.328 . . . . 0.0 112.08 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -140.92 -93.5 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.488 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.462 ' N ' ' CD ' ' A' ' 118' ' ' PRO . 91.3 m-20 -133.06 53.04 9.78 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.62 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' A' ' 117' ' ' ASP . 56.9 Cg_endo -71.62 -174.23 1.22 Allowed 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.704 2.269 . . . . 0.0 111.997 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 30.0 mt -80.35 22.36 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.341 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 5.6 m -150.78 66.21 7.32 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.483 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -64.01 -21.31 68.41 Favored 'Trans proline' 0 C--N 1.307 -1.605 0 C-N-CA 122.49 2.127 . . . . 0.0 112.14 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.04 -40.4 75.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.42 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 56.0 mt -76.43 -26.04 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.335 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.25 -53.05 59.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.458 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -56.89 -50.38 72.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.606 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.429 ' O ' ' O ' ' A' ' 130' ' ' ASP . 71.0 mt -54.26 -47.89 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.948 0.404 . . . . 0.0 110.2 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.574 ' CZ ' ' CZ ' ' A' ' 131' ' ' ARG . 59.2 t80 -70.96 -31.42 67.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.693 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.61 -68.21 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.34 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.32 -42.23 3.96 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.67 0.271 . . . . 0.0 111.284 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 126' ' ' ILE . 11.5 t0 -74.94 66.89 1.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.982 0.42 . . . . 0.0 110.557 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.574 ' CZ ' ' CZ ' ' A' ' 127' ' ' TYR . 13.0 mmt180 -72.46 -39.87 67.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.568 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -49.95 -49.06 51.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.018 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -66.0 -49.61 67.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.507 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -47.87 -39.8 19.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.548 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -65.37 -35.33 80.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.472 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -63.49 -50.13 70.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.552 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.605 HD12 ' N ' ' A' ' 137' ' ' ILE . 1.5 mp -69.1 -37.12 76.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.325 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . 0.417 ' O ' ' OG1' ' A' ' 142' ' ' THR . 14.5 t -58.14 -44.0 87.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.818 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -78.95 -30.18 44.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.744 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.423 ' OE2' ' O ' ' A' ' 140' ' ' GLU . 3.0 tm-20 -72.17 -37.95 69.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.457 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -78.16 -4.04 45.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.483 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.714 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 6.5 m -77.85 -60.55 2.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.849 0.356 . . . . 0.0 110.506 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.497 ' OE1' ' SD ' ' A' ' 147' ' ' MET . 6.3 mm100 -64.83 -31.15 72.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.237 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 62.6 tttt -48.56 -54.57 13.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.817 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -133.23 -33.37 1.13 Allowed 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.513 -0.475 . . . . 0.0 112.221 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.714 ' HB3' ' O ' ' A' ' 142' ' ' THR . . . -53.44 -55.78 22.31 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.801 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . 0.497 ' SD ' ' OE1' ' A' ' 143' ' ' GLN . 4.1 mtt . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.549 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.441 ' O ' ' OE1' ' B' ' 16' ' ' GLU . 7.5 ptt? . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.532 ' NE2' ' O ' ' B' ' 15' ' ' LEU . 37.7 tp60 -122.88 143.55 49.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.633 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.3 pt -149.95 145.88 17.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.3 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.57 ' CE2' ' CG2' ' B' ' 14' ' ' THR . 25.6 m-85 -98.2 142.8 29.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.54 ' O ' HG23 ' B' ' 5' ' ' VAL . 5.3 m -135.52 124.28 39.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.252 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -122.96 131.37 53.69 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.582 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.464 ' OG1' ' N ' ' B' ' 8' ' ' LEU . 0.0 OUTLIER -110.36 174.74 5.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.605 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.471 HD22 ' N ' ' B' ' 8' ' ' LEU . 3.8 mm? -61.09 -27.01 68.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.34 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.421 ' OG1' HG23 ' B' ' 7' ' ' THR . 19.9 p -67.93 -4.93 14.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.538 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.68 -8.4 62.44 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.21 130.81 45.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.776 0.322 . . . . 0.0 110.423 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.8 m -137.01 124.94 22.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.356 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 9.0 pt -150.44 147.2 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.613 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.57 ' CG2' ' CE2' ' B' ' 4' ' ' PHE . 19.2 p -84.4 121.68 27.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.573 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.532 ' O ' ' NE2' ' B' ' 2' ' ' GLN . 11.1 mp -96.4 164.18 12.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.519 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' B' ' 1' ' ' MET . 43.5 mm-40 -117.67 126.77 53.09 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.22 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.442 HG22 ' N ' ' B' ' 18' ' ' GLU . 10.7 p -155.5 154.85 6.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.856 0.36 . . . . 0.0 110.776 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.442 ' N ' HG22 ' B' ' 17' ' ' VAL . 26.1 mt-10 -87.53 150.36 48.55 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.233 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.97 -15.32 43.3 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 122.57 2.18 . . . . 0.0 112.357 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.1 m -96.07 -16.95 21.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.751 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -57.3 169.99 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.342 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.499 ' H ' HD22 ' B' ' 25' ' ' ASN . 1.2 m -119.12 149.42 41.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.446 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 13.2 mm -50.84 -19.61 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.932 0.396 . . . . 0.0 110.417 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -72.52 -30.06 64.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.605 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.499 HD22 ' H ' ' B' ' 22' ' ' THR . 7.0 m-80 -85.07 -49.53 8.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.0 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 p -52.8 -35.29 21.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.845 0.355 . . . . 0.0 110.234 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -62.3 -28.85 70.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.988 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.35 -31.13 54.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.822 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.405 ' NZ ' ' CB ' ' B' ' 29' ' ' LYS . 6.6 mtpm? -80.0 -44.42 20.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.43 -179.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.466 HG23 ' N ' ' B' ' 31' ' ' GLN . 13.4 tt -59.83 -41.71 86.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.053 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' B' ' 35' ' ' GLY . 19.0 pt20 -65.4 -42.25 92.78 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.476 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -66.28 -28.82 69.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.903 0.382 . . . . 0.0 110.379 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.03 -62.9 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.88 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -81.53 -33.48 31.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.039 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . 106.71 -11.14 41.97 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 29.8 mt -67.91 132.07 92.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -68.49 161.19 46.05 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.127 1.885 . . . . 0.0 112.054 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.06 -34.09 38.94 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.779 2.319 . . . . 0.0 112.299 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -54.99 -38.43 67.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.623 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.587 HE22 HD23 ' B' ' 73' ' ' LEU . 8.3 mm-40 -91.61 -12.38 34.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.594 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -81.24 136.01 35.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.899 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.806 ' HE ' HD11 ' B' ' 44' ' ' ILE . 68.6 ttt180 -145.19 151.31 38.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.192 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.7 mt -125.76 122.64 36.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.866 0.365 . . . . 0.0 110.805 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.806 HD11 ' HE ' ' B' ' 42' ' ' ARG . 45.8 mm -123.69 154.84 30.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.136 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' B' ' 48' ' ' LYS . 25.7 t80 -159.46 114.33 2.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.539 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 45.52 31.14 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.578 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.87 27.93 44.11 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' B' ' 45' ' ' PHE . 69.7 mmtt -125.0 116.97 22.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.801 0.334 . . . . 0.0 110.451 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -81.01 131.74 35.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.563 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.578 ' N ' HD12 ' B' ' 50' ' ' LEU . 10.1 mp -82.07 134.11 35.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.611 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -83.81 153.63 23.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.42 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -65.67 -37.7 87.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -97.45 67.24 0.83 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -148.01 146.89 29.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.722 0.296 . . . . 0.0 110.28 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 28.5 p -98.86 149.06 23.3 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.487 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.52 HD22 ' N ' ' B' ' 56' ' ' LEU . 3.8 mm? -52.41 -45.45 65.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.599 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 12.8 t -58.48 -28.94 65.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.729 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -63.2 -45.09 93.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.742 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -83.34 -4.54 58.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.547 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . 0.41 ' O ' ' NE2' ' B' ' 62' ' ' GLN . 20.5 m120 44.09 55.17 5.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.504 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 36.3 mt -83.34 -6.35 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.628 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.527 ' OE1' ' N ' ' B' ' 62' ' ' GLN . 1.1 mp0 55.71 -170.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.527 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -99.74 166.17 11.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.712 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 53.99 48.27 21.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.786 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 13.3 p -105.1 168.11 9.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.547 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 85.0 m -121.41 109.0 14.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.545 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 17.9 mt -91.37 140.76 29.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.447 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -92.35 107.32 19.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.764 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.795 HD13 ' O ' ' B' ' 42' ' ' ARG . 3.8 mm? -89.25 136.2 33.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.272 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 58.4 t -128.6 143.01 42.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.461 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.494 ' O ' ' SD ' ' A' ' 38' ' ' MET . 15.0 mt -97.7 121.58 39.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.736 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 -91.28 85.84 5.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.166 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.587 HD23 HE22 ' B' ' 40' ' ' GLN . 5.5 mt -79.49 114.52 18.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.592 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.44 ' O ' ' O ' ' B' ' 75' ' ' GLY . 2.1 tpt180 -81.34 -66.99 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.52 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' B' ' 74' ' ' ARG . . . 47.85 100.32 0.01 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.779 0 CA-C-O 117.99 -1.45 . . . . 0.0 110.995 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.8 mt -50.0 -19.95 0.83 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.373 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.439 ' HZ3' ' HB3' ' A' ' 4' ' ' LYS . 4.3 mmmm -75.86 -49.07 18.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.529 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -75.04 -35.86 61.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.613 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.4 mt -70.11 -49.02 58.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -52.88 -19.95 2.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.867 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.7 ttpp -67.27 -44.85 78.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.621 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.14 -34.2 65.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.478 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.586 HD12 ' CH2' ' A' ' 33' ' ' TRP . 1.2 tp -50.16 -40.46 46.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.494 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.3 t -59.94 -33.87 72.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.601 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -60.33 -32.77 71.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.68 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.6 mt -85.76 -12.99 49.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.662 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.83 -56.91 4.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.736 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.403 ' HG3' ' H ' ' A' ' 16' ' ' ASP . 0.8 OUTLIER -45.65 -48.65 14.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.643 -179.861 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.403 ' H ' ' HG3' ' A' ' 15' ' ' ARG . 13.7 t0 -176.39 100.51 0.24 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.358 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -80.95 150.65 18.26 Favored 'Trans proline' 0 C--N 1.312 -1.361 0 C-N-CA 122.32 2.014 . . . . 0.0 111.922 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -51.61 127.89 24.23 Favored 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 122.161 1.908 . . . . 0.0 112.108 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.22 -36.25 61.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.782 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -87.9 -3.94 58.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.7 m -151.03 62.58 0.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.787 0.327 . . . . 0.0 110.804 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.6 p -67.52 150.32 49.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.527 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -157.46 155.92 31.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.487 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -157.1 161.61 31.25 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.86 148.14 35.57 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.85 2.367 . . . . 0.0 112.208 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 26' ' ' VAL . 13.5 p -116.37 128.27 73.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.313 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.75 150.47 6.98 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -52.42 -29.79 26.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.791 0.329 . . . . 0.0 110.433 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 29' ' ' ASP . 10.5 p30 -79.74 141.63 36.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.525 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.409 ' C ' ' H ' ' A' ' 32' ' ' HIS . 0.8 OUTLIER -90.65 -9.12 48.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.545 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -62.79 -3.68 1.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.387 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.409 ' H ' ' C ' ' A' ' 30' ' ' MET . 1.1 t-80 -136.29 120.95 18.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.384 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.586 ' CH2' HD12 ' A' ' 10' ' ' LEU . 14.8 m95 -115.11 177.24 4.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.35 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.595 HE21 ' H ' ' A' ' 35' ' ' ALA . 1.5 mm100 -145.85 169.19 19.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.362 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.595 ' H ' HE21 ' A' ' 34' ' ' GLN . . . -167.04 145.97 5.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.347 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.6 m -135.38 148.43 49.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.01 0.433 . . . . 0.0 110.721 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.8 pt -150.85 174.02 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.473 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.508 ' SD ' ' O ' ' B' ' 71' ' ' LEU . 6.2 ttt -129.91 156.44 44.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.315 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 40' ' ' PRO . . . -84.63 114.58 3.95 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 39' ' ' GLY . 73.7 Cg_exo -46.15 179.24 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.241 1.96 . . . . 0.0 112.11 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.416 HD21 ' CD2' ' B' ' 73' ' ' LEU . 3.4 m-20 -71.12 -31.46 67.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.622 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -66.09 -23.12 66.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.571 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.542 ' O ' ' N ' ' A' ' 45' ' ' TYR . 5.9 p -96.71 110.83 55.2 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.406 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.507 ' C ' ' H ' ' A' ' 46' ' ' GLN . 71.5 Cg_exo -45.59 -9.78 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 122.264 1.976 . . . . 0.0 112.322 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.542 ' N ' ' O ' ' A' ' 43' ' ' SER . 48.7 m-85 -68.5 10.7 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.564 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.507 ' H ' ' C ' ' A' ' 44' ' ' PRO . 43.4 mt-30 -45.88 121.58 3.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.463 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.32 -28.28 16.73 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.31 165.36 53.9 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.408 ' O ' HG23 ' A' ' 49' ' ' VAL . 20.5 m -141.64 133.13 27.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.833 0.349 . . . . 0.0 110.603 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -101.55 161.31 13.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.572 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 70' ' ' THR . 31.2 m-85 -140.04 132.06 27.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.292 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.523 HD22 ' CE1' ' A' ' 69' ' ' PHE . 0.3 OUTLIER -137.44 136.3 37.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.441 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 m -108.03 139.94 41.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.543 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.404 HD12 ' N ' ' A' ' 54' ' ' ILE . 3.9 mp -105.13 153.94 6.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.42 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -143.32 116.57 9.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.498 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.452 ' CD1' ' N ' ' A' ' 56' ' ' PHE . 25.2 m-85 -89.18 147.53 38.66 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.367 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.25 154.44 41.32 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 C-N-CA 122.461 2.107 . . . . 0.0 111.91 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.7 p -71.04 -9.33 57.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.268 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.471 ' C ' ' CG ' ' A' ' 60' ' ' TYR . 54.4 t0 -97.44 22.51 8.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.571 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.529 ' O ' ' N ' ' A' ' 62' ' ' PHE . 3.2 m-85 72.05 149.76 0.13 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.575 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' A' ' 63' ' ' LYS . 95.9 Cg_exo -37.25 -24.26 0.05 OUTLIER 'Trans proline' 0 C--N 1.312 -1.384 0 C-N-CA 122.694 2.263 . . . . 0.0 112.311 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.529 ' N ' ' O ' ' A' ' 60' ' ' TYR . 22.5 m-85 -45.78 -15.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.415 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 61' ' ' PRO . 6.8 mptt -113.11 147.27 36.93 Favored Pre-proline 0 CA--C 1.534 0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.231 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -55.54 118.43 5.19 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 C-N-CA 122.196 1.931 . . . . 0.0 111.863 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -79.39 159.29 25.96 Favored 'Trans proline' 0 C--N 1.312 -1.378 0 C-N-CA 122.342 2.028 . . . . 0.0 112.113 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.9 mmtm -96.73 137.01 36.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.484 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 p -137.18 147.96 26.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.463 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -158.6 145.99 17.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.579 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.523 ' CE1' HD22 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -83.52 114.06 21.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.261 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 51' ' ' PHE . 7.6 m -62.53 -46.04 90.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.399 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.7 m -87.39 133.64 33.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.4 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -65.77 148.27 52.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.487 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.4 tt -153.86 137.92 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.389 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -94.79 31.82 1.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.44 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.492 ' O ' ' O ' ' A' ' 76' ' ' PRO . 71.0 t60 -94.64 133.08 27.34 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.374 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.525 ' C ' ' H ' ' A' ' 78' ' ' ILE . 73.0 Cg_exo -43.79 178.23 0.0 OUTLIER 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 122.314 2.01 . . . . 0.0 112.098 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.52 ' N ' ' OD1' ' A' ' 77' ' ' ASN . 1.0 OUTLIER 62.11 -3.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.72 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.525 ' H ' ' C ' ' A' ' 76' ' ' PRO . 47.6 mt -138.43 122.13 20.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.351 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.445 ' N ' ' OD1' ' A' ' 79' ' ' ASN . 1.4 m120 -98.11 -158.24 0.66 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.494 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.5 t -77.21 -18.48 57.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.513 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -81.98 -13.14 57.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.536 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.96 12.37 79.76 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.5 m -59.73 111.83 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.788 0.328 . . . . 0.0 110.503 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.3 mt -92.05 119.49 39.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.548 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 10.4 t -82.18 112.88 19.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.516 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.0 mt -146.95 137.6 23.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.25 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -69.15 -52.02 32.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.969 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.79 ' H ' HD12 ' A' ' 88' ' ' ILE . 0.7 OUTLIER -51.5 -37.33 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.538 -179.624 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -61.47 -35.56 77.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.188 179.819 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 92' ' ' GLN . 15.1 mtp-105 -74.75 -165.19 0.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.801 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.541 ' C ' ' H ' ' A' ' 93' ' ' TRP . 15.4 p -37.31 -30.39 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.379 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 90' ' ' ARG . 18.2 mm100 -71.93 29.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.635 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.541 ' H ' ' C ' ' A' ' 91' ' ' SER . 62.5 t-105 -98.69 102.93 14.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.421 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.4 m -90.11 141.18 27.64 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.569 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -74.07 0.46 8.37 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 122.464 2.109 . . . . 0.0 112.19 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -120.06 17.21 12.48 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.013 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.719 ' C ' HD12 ' A' ' 97' ' ' LEU . 3.7 pp -86.75 152.08 22.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.43 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.523 ' C ' ' H ' ' A' ' 100' ' ' SER . 38.7 p -94.38 125.83 39.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.357 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.3 tt -55.39 -3.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.653 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.523 ' H ' ' C ' ' A' ' 98' ' ' THR . 8.6 t -71.36 -61.05 1.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.651 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -35.71 61.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.468 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 94.0 t -57.33 -39.98 71.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.532 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.5 mt -68.0 -43.56 78.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.721 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.96 -29.5 68.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.291 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.9 t -67.28 -28.6 68.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.461 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.8 mm -71.09 -56.1 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.43 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 16.6 t -51.37 -56.07 15.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.733 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.1 t -51.54 -44.47 62.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.655 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.5 tp -49.79 -51.87 36.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.645 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.405 ' HG ' ' H ' ' A' ' 110' ' ' LEU . 61.6 mt -49.59 -50.67 41.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.654 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 15.7 p -82.85 5.08 22.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.762 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 113' ' ' PRO . 66.0 m-20 -143.45 74.21 17.21 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.608 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.454 ' O ' ' O ' ' A' ' 112' ' ' ASP . 44.2 Cg_exo -53.67 -156.73 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.618 0 C-N-CA 122.871 2.38 . . . . 0.0 112.021 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.81 HD22 ' H ' ' A' ' 117' ' ' ASP . 4.7 t30 -166.38 72.16 1.17 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.682 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.92 -30.06 37.75 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.842 2.361 . . . . 0.0 112.23 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' A' ' 117' ' ' ASP . 83.9 m-20 -65.81 -42.3 90.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.705 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.81 ' H ' HD22 ' A' ' 114' ' ' ASN . 84.0 m-20 -141.64 74.81 22.71 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.4 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.494 ' C ' ' H ' ' A' ' 120' ' ' VAL . 74.2 Cg_endo -79.56 -11.62 14.16 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.778 2.319 . . . . 0.0 112.06 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.1 tp 67.86 -9.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.763 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.602 HG22 ' H ' ' A' ' 123' ' ' ILE . 5.9 p -142.17 67.98 21.88 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.218 0.532 . . . . 0.0 110.408 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -43.93 -24.77 0.89 Allowed 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.844 2.363 . . . . 0.0 112.488 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -62.45 -49.99 73.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.556 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.602 ' H ' HG22 ' A' ' 120' ' ' VAL . 90.5 mt -78.12 -32.51 17.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.749 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.05 -40.75 87.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.872 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 45.0 mtp85 -54.79 -32.48 60.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.62 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 130' ' ' ASP . 39.4 mt -77.11 -56.1 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.474 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.569 ' CE1' ' CD ' ' A' ' 131' ' ' ARG . 58.3 t80 -56.12 -31.85 63.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.527 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -53.42 -68.04 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.002 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 27.3 p -99.17 -42.19 7.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.055 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 126' ' ' ILE . 28.4 m-20 -85.36 77.85 9.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.381 . . . . 0.0 110.579 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.569 ' CD ' ' CE1' ' A' ' 127' ' ' TYR . 15.5 tpp85 -88.62 -39.44 14.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.396 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -63.87 -49.01 74.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.685 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -64.93 -43.8 91.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.603 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -48.25 -43.91 32.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.743 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 131' ' ' ARG . 3.9 m120 -53.07 -46.04 68.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.671 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 56.3 ttt-85 -56.95 -40.37 76.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.743 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 9.1 mm -63.88 -35.54 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.661 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . 0.448 ' O ' ' OG1' ' A' ' 142' ' ' THR . 43.3 m -66.97 -58.93 3.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.674 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -54.84 -52.25 63.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.772 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -51.03 -45.39 61.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.703 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -75.9 -28.25 57.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.584 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 138' ' ' SER . 34.3 m -64.41 -19.16 65.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.766 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.426 ' O ' ' O ' ' A' ' 147' ' ' MET . 37.8 tt0 -76.22 -44.35 38.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.236 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -101.45 -53.37 3.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.756 0.312 . . . . 0.0 111.704 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -74.92 19.35 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -164.05 -2.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.423 -0.511 . . . . 0.0 111.194 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . 0.426 ' O ' ' O ' ' A' ' 143' ' ' GLN . 46.8 mtt . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.42 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 17.1 ttp . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -114.73 154.9 27.66 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.976 0.417 . . . . 0.0 110.616 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pp -131.18 163.72 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.374 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.613 ' CE1' HG22 ' B' ' 14' ' ' THR . 6.7 m-85 -96.58 142.76 28.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.967 0.413 . . . . 0.0 110.722 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.632 ' O ' HG23 ' B' ' 5' ' ' VAL . 3.8 m -136.95 115.54 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.808 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -95.19 134.38 37.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.956 0.408 . . . . 0.0 111.034 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 15.6 m -89.02 157.07 18.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.582 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 tp -57.3 -18.56 17.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.387 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 18.0 p -91.24 -20.06 22.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.446 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.09 13.46 17.71 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.22 98.45 8.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.74 0.305 . . . . 0.0 110.359 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 11.0 m -95.12 131.41 41.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.784 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 8.4 pt -151.06 147.06 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.413 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.613 HG22 ' CE1' ' B' ' 4' ' ' PHE . 68.1 p -87.32 140.33 29.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.789 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.4 mp -120.29 165.05 15.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.814 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -119.76 117.07 27.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.174 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 12.3 m -137.17 -170.96 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.894 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' B' ' 21' ' ' ASP . 4.9 tt0 -136.06 130.08 18.29 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.002 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -44.37 -34.07 6.94 Favored 'Trans proline' 0 N--CA 1.492 1.412 0 C-N-CA 122.172 1.914 . . . . 0.0 112.252 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.9 m -81.38 -17.07 50.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.551 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.48 ' OD1' ' ND2' ' B' ' 25' ' ' ASN . 44.9 t0 -66.87 153.26 43.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.436 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.499 ' OG1' ' ND2' ' B' ' 25' ' ' ASN . 6.5 p -91.81 153.36 19.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.76 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.659 ' N ' HD12 ' B' ' 23' ' ' ILE . 2.5 mp -65.1 -9.35 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.356 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -73.09 -29.78 63.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.515 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.499 ' ND2' ' OG1' ' B' ' 22' ' ' THR . 56.5 m-80 -82.59 -47.87 11.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.465 -179.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 7.1 p -52.84 -37.52 25.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.402 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.405 ' NZ ' ' OD2' ' B' ' 52' ' ' ASP . 17.4 mttp -57.09 -42.46 80.75 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.71 -29.58 68.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.631 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -67.85 -44.44 77.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.499 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 83.0 mt -60.16 -31.92 49.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.37 . . . . 0.0 110.138 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.511 ' O ' ' N ' ' B' ' 35' ' ' GLY . 66.6 tt0 -64.34 -54.11 38.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.782 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -62.7 -28.92 70.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.973 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -84.21 -56.71 3.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.917 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.436 ' O ' ' OE1' ' B' ' 34' ' ' GLU . 0.0 OUTLIER -76.94 -37.26 55.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.852 -179.375 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . 100.52 -4.48 56.7 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.51 HG21 HD21 ' B' ' 71' ' ' LEU . 48.1 mt -92.77 132.72 30.6 Favored Pre-proline 0 C--N 1.329 -0.284 0 N-CA-C 110.248 -0.278 . . . . 0.0 110.248 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -68.58 150.14 74.69 Favored 'Trans proline' 0 N--CA 1.494 1.55 0 C-N-CA 121.952 1.768 . . . . 0.0 112.07 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.456 ' C ' ' H ' ' B' ' 40' ' ' GLN . 68.2 Cg_endo -73.12 -27.03 14.3 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 122.82 2.346 . . . . 0.0 112.508 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.437 ' O ' ' OE1' ' B' ' 40' ' ' GLN . 9.0 t70 -54.81 -7.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.747 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.456 ' H ' ' C ' ' B' ' 38' ' ' PRO . 4.1 mp0 -130.12 -1.88 4.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.509 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -126.77 142.5 51.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.9 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.616 ' NH2' ' NE2' ' B' ' 49' ' ' GLN . 9.6 ptm180 -144.3 158.57 43.67 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.473 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.517 ' N ' HD22 ' B' ' 43' ' ' LEU . 3.3 mm? -93.76 143.09 26.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.038 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 22.0 mt -144.15 136.4 22.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.189 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.419 ' O ' ' N ' ' B' ' 48' ' ' LYS . 16.9 t80 -136.78 146.46 45.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.523 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.31 29.14 1.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.687 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.44 28.08 66.46 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' B' ' 45' ' ' PHE . 9.2 mtmp? -135.24 142.96 46.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.811 0.338 . . . . 0.0 110.607 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.616 ' NE2' ' NH2' ' B' ' 42' ' ' ARG . 17.6 mt-30 -82.0 135.42 35.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.637 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.581 ' N ' HD12 ' B' ' 50' ' ' LEU . 9.8 mp -90.14 140.75 29.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.43 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -78.34 143.49 36.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.491 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.2 OUTLIER -71.64 -27.47 63.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.789 -179.854 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.26 -15.65 73.71 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.608 -0.597 . . . . 0.0 111.608 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 6.4 mmt-85 -76.9 177.03 8.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.502 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 42.4 p -131.8 146.95 52.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.174 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.543 ' O ' ' N ' ' B' ' 60' ' ' ASN . 6.7 mp -49.74 -23.11 1.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.113 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 12.0 t -57.52 -36.98 72.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.217 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -74.56 -45.01 48.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.274 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' B' ' 61' ' ' ILE . 56.6 m-85 -82.84 -1.51 52.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.302 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' B' ' 56' ' ' LEU . 0.5 OUTLIER 61.28 -79.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.908 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' B' ' 59' ' ' TYR . 1.3 mt 50.57 98.8 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.5 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -70.73 -177.21 1.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.487 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -73.31 158.44 35.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.45 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 54.98 36.77 27.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.544 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.414 ' O ' ' O ' ' B' ' 4' ' ' PHE . 89.9 p -87.64 148.96 24.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.567 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 11.6 m -107.97 111.11 23.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.501 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.418 HD13 HD12 ' B' ' 43' ' ' LEU . 83.6 mt -90.91 151.76 20.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.442 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -97.45 103.13 15.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.491 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.417 HD11 ' HB ' ' B' ' 5' ' ' VAL . 14.7 mt -89.16 141.48 28.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.442 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 22.2 m -133.36 150.31 32.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.283 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.51 HD21 HG21 ' B' ' 36' ' ' ILE . 12.7 mt -111.89 139.06 47.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.644 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 34.1 mtm105 -112.94 85.89 2.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.232 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.592 ' N ' HD12 ' B' ' 73' ' ' LEU . 7.0 mp -62.84 167.05 4.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.677 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 52.9 ttp85 -44.06 102.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.646 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -105.9 132.1 10.96 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.708 0 CA-C-O 117.976 -1.458 . . . . 0.0 110.939 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.594 ' N ' ' CE2' ' A' ' 60' ' ' TYR . . . . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.616 ' O ' HD23 ' A' ' 3' ' ' LEU . 1.1 tt -49.91 -34.12 19.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.515 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -74.81 -53.19 9.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.6 mtt85 -61.43 -50.37 73.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.791 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.407 HD13 ' O ' ' A' ' 30' ' ' MET . 97.3 mt -52.99 -39.0 30.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.732 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.434 ' O ' ' OD1' ' A' ' 7' ' ' ASN . 36.3 t-20 -63.27 -23.78 67.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.973 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.581 ' HZ3' ' HB3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -67.51 -35.61 79.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.622 -179.837 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -70.82 -23.97 62.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.52 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.63 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -71.03 -34.12 71.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.407 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.7 t -59.98 -35.45 75.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.709 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 12' ' ' ASP . 40.4 t0 -83.05 -22.05 33.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.624 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 tp -83.57 -52.57 6.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.66 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.98 -41.13 70.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.816 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.0 ttt85 -79.33 -46.71 17.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.804 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -121.3 79.12 35.79 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.647 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -79.16 161.15 26.37 Favored 'Trans proline' 0 C--N 1.309 -1.526 0 C-N-CA 122.613 2.209 . . . . 0.0 112.084 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.38 135.04 38.1 Favored 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 122.689 2.26 . . . . 0.0 112.165 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.1 -52.05 11.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.798 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.472 ' CG ' ' N ' ' A' ' 21' ' ' CYS . 4.6 pt20 -85.98 -54.49 4.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.674 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.472 ' N ' ' CG ' ' A' ' 20' ' ' GLN . 22.6 m -71.62 165.9 22.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.432 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.5 t -140.25 127.2 20.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.655 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -142.24 153.96 44.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.399 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -165.15 110.05 0.39 Allowed Glycine 0 CA--C 1.531 1.061 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -49.87 146.26 16.75 Favored 'Trans proline' 0 N--CA 1.493 1.468 0 C-N-CA 122.129 1.886 . . . . 0.0 111.944 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.426 ' O ' ' O ' ' A' ' 27' ' ' GLY . 44.5 t -100.92 151.95 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.509 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 26' ' ' VAL . . . -55.7 -161.47 0.02 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 29' ' ' ASP . 72.6 m-20 54.81 71.25 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 110.588 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 28' ' ' ASP . 3.2 m-20 59.76 143.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.609 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.407 ' O ' HD13 ' A' ' 6' ' ' ILE . 4.1 mtp -79.24 67.98 5.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.623 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -125.4 -27.15 3.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.205 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -104.36 120.72 41.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.235 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -116.97 156.6 27.17 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.4 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.421 ' NE2' ' OG1' ' A' ' 53' ' ' THR . 26.9 tp60 -124.57 156.26 37.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.389 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -155.56 158.94 39.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.892 0.377 . . . . 0.0 110.779 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.6 m -146.2 155.09 42.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.561 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 pt -145.01 155.09 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.31 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.2 ttt -122.16 126.7 48.89 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.752 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.37 104.31 0.04 OUTLIER Glycine 0 CA--C 1.531 1.046 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -47.81 169.37 0.07 OUTLIER 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.217 1.945 . . . . 0.0 112.095 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.526 ' H ' HD22 ' A' ' 41' ' ' ASN . 1.7 p30 -80.74 -173.27 4.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.64 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.2 t70 50.47 33.62 8.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.648 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 p -157.12 151.44 20.14 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -69.52 -11.84 32.03 Favored 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 122.429 2.086 . . . . 0.0 111.897 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -73.98 -19.75 60.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.571 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -65.17 116.89 7.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.528 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 138.62 10.95 0.88 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -151.94 166.8 31.01 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 49' ' ' VAL . 35.9 m -127.88 125.87 65.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.882 0.372 . . . . 0.0 110.484 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -95.37 179.92 5.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.386 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -140.11 129.23 23.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.552 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.2 tt -130.36 158.76 38.95 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.225 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.421 ' OG1' ' NE2' ' A' ' 34' ' ' GLN . 5.8 m -145.72 132.21 19.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.899 0.38 . . . . 0.0 110.82 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.536 HD13 HD11 ' A' ' 99' ' ' ILE . 1.7 mp -98.57 133.09 42.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.135 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -113.56 115.48 28.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.86 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -85.64 126.87 65.1 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.178 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.499 ' C ' ' H ' ' A' ' 59' ' ' ASP . 87.4 Cg_endo -80.97 140.31 12.55 Favored 'Trans proline' 0 C--N 1.312 -1.372 0 C-N-CA 122.353 2.035 . . . . 0.0 112.097 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 43.6 p -52.29 -9.89 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.024 0.44 . . . . 0.0 109.892 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.499 ' H ' ' C ' ' A' ' 57' ' ' PRO . 5.2 t0 -83.99 23.72 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.48 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.594 ' CE2' ' N ' ' A' ' 2' ' ' ALA . 54.9 m-85 67.35 154.36 0.13 Allowed Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.984 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.573 ' O ' ' N ' ' A' ' 63' ' ' LYS . 32.5 Cg_exo -54.88 -44.28 51.23 Favored 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 122.865 2.377 . . . . 0.0 113.709 -179.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.442 ' HA ' ' HE1' ' A' ' 93' ' ' TRP . 1.3 p90 -44.83 -11.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.343 -178.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.573 ' N ' ' O ' ' A' ' 61' ' ' PRO . 18.3 mmtt -98.92 142.57 24.83 Favored Pre-proline 0 CA--C 1.533 0.294 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -52.6 116.91 3.18 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 122.116 1.878 . . . . 0.0 111.868 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -80.36 172.15 13.99 Favored 'Trans proline' 0 C--N 1.312 -1.35 0 C-N-CA 122.43 2.087 . . . . 0.0 112.187 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -106.76 96.34 6.37 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.576 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.1 p -93.13 148.06 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.368 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -155.24 150.93 27.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.883 0.373 . . . . 0.0 110.8 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.73 120.24 26.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.221 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.7 m -77.01 -28.41 54.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.67 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.8 m -106.44 114.49 28.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.671 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -49.99 145.48 5.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.253 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.5 tt -153.3 138.77 11.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.71 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -84.93 92.9 8.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.11 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -146.19 142.16 17.31 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.164 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -69.93 -27.38 25.73 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.281 1.987 . . . . 0.0 111.894 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -82.41 -27.0 32.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.316 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 23.0 mm -105.56 131.4 55.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.262 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.454 HD22 HG22 ' A' ' 120' ' ' VAL . 6.9 t-20 -92.14 172.54 8.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.798 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.2 m -85.43 -23.59 27.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.384 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -76.11 -15.42 60.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.575 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.452 ' O ' HD12 ' A' ' 84' ' ' ILE . . . 104.1 10.39 34.49 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.1 p -86.47 127.85 34.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.71 0.291 . . . . 0.0 110.426 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.452 HD12 ' O ' ' A' ' 82' ' ' GLY . 5.0 mp -125.63 145.78 32.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.642 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 21.8 t -97.73 112.97 24.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.27 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.3 mp -133.86 128.43 34.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.688 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -69.14 -47.99 63.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.415 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.409 ' H ' HG13 ' A' ' 88' ' ' ILE . 2.4 pp -55.62 -13.24 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.692 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.8 -12.32 22.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.756 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.433 ' CG ' ' N ' ' A' ' 91' ' ' SER . 6.8 ttp180 -80.63 -110.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.696 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.483 ' C ' ' H ' ' A' ' 93' ' ' TRP . 15.0 p -93.12 -20.23 20.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.657 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -75.64 25.94 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.558 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.483 ' H ' ' C ' ' A' ' 91' ' ' SER . 75.2 t-105 -82.23 102.94 11.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.407 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 96' ' ' ALA . 1.4 m -82.11 119.58 75.36 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.475 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -46.6 -7.14 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.433 2.088 . . . . 0.0 112.708 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.526 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -144.1 63.67 1.33 Allowed 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.351 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.422 ' H ' ' HG ' ' A' ' 97' ' ' LEU . 2.7 pp -104.22 152.06 22.63 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.326 179.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.6 m -76.52 135.96 39.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.525 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.536 HD11 HD13 ' A' ' 54' ' ' ILE . 5.3 tp -51.21 -39.5 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.583 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.471 ' N ' HG23 ' A' ' 99' ' ' ILE . 8.2 t -69.78 -12.94 62.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.877 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -62.25 -45.5 93.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.686 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.441 ' H ' HG12 ' A' ' 102' ' ' VAL . 2.1 p -73.01 -33.94 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.665 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 42.8 mt -63.92 -39.22 93.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.814 0.34 . . . . 0.0 110.431 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.2 mt -68.18 -40.92 82.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.61 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 59.6 m -51.38 -39.51 57.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.635 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.4 mt -67.21 -43.64 88.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.662 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 46.2 t -50.96 -53.43 33.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.638 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 52.9 p -53.07 -24.87 10.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.695 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.511 HD13 ' O ' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -73.38 -52.11 14.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.513 -179.841 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.504 HD12 ' N ' ' A' ' 110' ' ' LEU . 10.7 mp -58.38 -40.26 81.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.622 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 12.2 t -74.16 -48.29 30.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.609 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 113' ' ' PRO . 12.5 t70 -113.23 96.43 39.17 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.572 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 112' ' ' ASP . 70.4 Cg_exo -48.76 -174.97 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.427 2.084 . . . . 0.0 112.068 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -156.73 84.74 3.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.699 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -78.67 2.04 8.53 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.476 2.117 . . . . 0.0 112.02 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -81.47 106.04 13.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.377 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.408 ' N ' ' HD3' ' A' ' 118' ' ' PRO . 42.3 t0 43.41 65.74 5.28 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.636 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 117' ' ' ASP . 34.1 Cg_exo -58.01 -146.2 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.711 2.274 . . . . 0.0 112.073 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.2 tp -132.91 -25.64 1.82 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.25 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.454 HG22 HD22 ' A' ' 79' ' ' ASN . 3.2 t -122.43 80.12 46.13 Favored Pre-proline 0 C--N 1.332 -0.192 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.319 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -46.48 -32.29 11.07 Favored 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.734 2.29 . . . . 0.0 112.432 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -61.98 -47.62 84.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.012 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 70.8 mt -77.05 -35.02 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.065 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.15 -40.39 86.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.338 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -54.75 -31.95 59.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.74 0.305 . . . . 0.0 110.848 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.527 ' O ' ' N ' ' A' ' 130' ' ' ASP . 43.5 mt -70.82 -51.31 37.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.872 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 127' ' ' TYR . 25.9 t80 -71.22 -31.87 68.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.152 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -64.58 -30.82 71.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.544 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 35.3 p -117.99 -42.31 2.83 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.701 0.286 . . . . 0.0 111.244 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 126' ' ' ILE . 0.9 OUTLIER -106.34 109.22 21.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.807 -179.641 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 33.8 mmm-85 -93.76 -44.57 8.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.637 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -60.87 -49.01 79.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.653 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 32.9 tttm -61.48 -28.94 69.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.577 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -75.97 -27.92 57.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.586 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -63.26 -46.02 88.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.019 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.434 ' HG3' ' H ' ' A' ' 137' ' ' ILE . 11.0 ptp180 -64.64 -49.94 69.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.071 -179.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.434 ' H ' ' HG3' ' A' ' 136' ' ' ARG . 20.4 mt -61.16 -48.76 87.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.709 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 92.5 p -45.92 -46.41 16.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.495 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 32.8 ttm-85 -79.18 -33.24 44.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.704 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -62.56 -38.14 88.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.583 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -84.13 -13.57 52.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.62 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.648 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 92.9 m -69.91 -60.31 2.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.82 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -61.65 -31.52 71.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.862 0.363 . . . . 0.0 110.911 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -59.29 -37.3 77.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.028 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -125.98 -33.41 2.68 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.86 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.648 ' HB3' ' O ' ' A' ' 142' ' ' THR . . . -66.81 -71.04 0.21 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.727 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 14.6 mtt . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.565 179.933 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.559 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -153.12 145.8 24.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.278 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.756 HD13 ' H ' ' B' ' 3' ' ' ILE . 0.1 OUTLIER -148.45 148.11 16.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.483 179.709 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -93.78 120.57 34.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.508 ' O ' HG23 ' B' ' 5' ' ' VAL . 10.5 m -102.19 126.25 56.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.754 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -112.64 118.59 35.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.661 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.516 HG22 ' N ' ' B' ' 8' ' ' LEU . 47.6 m -94.67 161.89 14.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.375 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.516 ' N ' HG22 ' B' ' 7' ' ' THR . 2.2 tp -59.02 -16.66 19.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.473 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 65.1 p -83.28 1.74 39.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.588 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.12 -3.1 85.63 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -65.13 123.08 18.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.776 0.322 . . . . 0.0 110.518 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 60.8 m -130.02 121.07 25.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.561 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 7.5 pt -150.99 147.1 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.66 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.73 123.95 30.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.417 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.0 mp -98.35 138.05 36.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.301 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -91.37 113.69 26.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.182 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' B' ' 1' ' ' MET . 7.2 p -150.08 145.43 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.768 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -80.0 150.18 71.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.38 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.29 -15.55 46.14 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.629 2.219 . . . . 0.0 112.229 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.1 m -95.52 -14.99 23.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.623 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -56.99 165.01 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.449 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.475 HG23 ' O ' ' B' ' 54' ' ' ARG . 3.1 m -116.53 140.77 49.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.682 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 30.7 mm -45.33 -39.06 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -48.94 -38.14 22.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.576 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -85.11 -45.67 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.779 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.591 ' HA ' ' HZ2' ' B' ' 29' ' ' LYS . 11.9 t -53.0 -48.86 51.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.69 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.525 ' O ' ' NE2' ' B' ' 31' ' ' GLN . 22.4 mttt -50.88 -41.68 58.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.523 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.28 -27.82 66.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.194 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.591 ' HZ2' ' HA ' ' B' ' 26' ' ' VAL . 1.6 ttmp? -73.75 -54.35 8.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.305 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 14.6 tt -59.3 -32.0 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.796 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' B' ' 27' ' ' LYS . 32.9 mt-30 -59.92 -53.75 54.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.591 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.34 -29.93 61.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.678 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.2 tttp -53.93 -66.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.783 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -82.45 -34.8 27.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.755 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.48 52.29 0.72 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 62.0 mt -128.08 112.27 20.07 Favored Pre-proline 0 C--N 1.33 -0.247 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.34 156.04 6.18 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 122.032 1.821 . . . . 0.0 112.162 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -69.87 -7.88 22.2 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.838 2.359 . . . . 0.0 112.428 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -67.39 -16.78 64.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.861 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -130.23 -10.23 4.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.078 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -65.63 117.97 8.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 110.631 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -145.17 115.98 7.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.404 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.604 HD12 ' N ' ' B' ' 43' ' ' LEU . 9.4 mp -87.78 136.68 32.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.759 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' B' ' 44' ' ' ILE . 6.8 tp -136.01 141.5 41.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.652 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -147.88 112.33 5.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.461 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.9 31.94 21.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.508 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.93 -8.1 52.2 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -87.97 116.88 26.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.769 0.319 . . . . 0.0 110.503 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -72.65 127.5 32.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.417 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 11.1 mp -76.04 101.27 5.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.371 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -51.55 157.25 1.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.592 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -79.16 -25.4 42.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -103.16 49.23 0.97 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.526 -0.63 . . . . 0.0 111.526 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.475 ' O ' HG23 ' B' ' 22' ' ' THR . 13.1 mmt85 -143.12 169.38 17.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.835 0.35 . . . . 0.0 110.278 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.527 ' O ' ' CZ ' ' B' ' 59' ' ' TYR . 62.0 p -120.38 172.58 7.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.347 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.566 ' N ' HD12 ' B' ' 56' ' ' LEU . 10.0 mp -74.32 -18.76 60.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.379 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.9 p -73.94 -29.04 61.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.571 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.435 ' OD1' ' OG1' ' B' ' 55' ' ' THR . 1.1 m-20 -59.23 -45.11 92.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.625 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.527 ' CZ ' ' O ' ' B' ' 55' ' ' THR . 0.0 OUTLIER -90.81 4.22 52.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.276 179.783 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . 0.427 ' O ' ' O ' ' B' ' 61' ' ' ILE . 5.1 t30 75.09 -71.64 0.12 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.676 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.427 ' O ' ' O ' ' B' ' 60' ' ' ASN . 27.0 mm 57.04 157.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.537 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.412 ' N ' HG22 ' B' ' 61' ' ' ILE . 84.0 mt-30 -127.15 175.35 8.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.463 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -68.37 148.56 50.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.576 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 54.9 24.38 5.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.507 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 11.7 p -60.69 136.99 58.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.672 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 17.2 m -89.42 108.94 19.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.664 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.49 ' N ' HD12 ' B' ' 67' ' ' LEU . 10.9 mp -98.79 144.04 28.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.3 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.424 ' O ' HD22 ' B' ' 69' ' ' LEU . 21.8 m170 -99.35 141.01 32.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.308 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.424 HD22 ' O ' ' B' ' 68' ' ' HIS . 0.9 OUTLIER -123.44 142.04 51.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.385 -179.735 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 70' ' ' VAL . 34.6 m -142.34 124.53 13.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.557 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.548 ' N ' HD12 ' B' ' 71' ' ' LEU . 10.2 mp -84.42 133.58 34.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.475 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -83.5 108.49 16.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.568 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.435 HD12 ' O ' ' B' ' 71' ' ' LEU . 4.5 mp -93.82 132.11 38.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.388 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -159.92 130.64 5.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.527 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.08 176.15 49.34 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.732 0 CA-C-O 117.961 -1.466 . . . . 0.0 110.921 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.694 HD12 ' N ' ' A' ' 3' ' ' LEU . 5.9 mp -66.17 -28.1 68.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.442 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.0 mttm -61.25 -49.3 77.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.674 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -38.81 82.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.553 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.0 mt -67.5 -48.53 76.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.675 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -53.32 -24.17 11.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.648 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -69.14 -34.0 74.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.572 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -60.49 -29.01 68.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.574 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.583 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -65.74 -29.92 70.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.457 -179.883 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.5 m -66.13 -27.01 67.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.666 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -73.08 -31.29 64.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.653 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.6 mt -75.11 -20.67 59.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.13 -17.38 46.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.695 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -84.21 -86.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.798 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -117.56 84.74 19.61 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.68 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -49.45 156.66 2.62 Favored 'Trans proline' 0 C--N 1.308 -1.562 0 C-N-CA 122.497 2.131 . . . . 0.0 111.917 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.402 ' C ' ' HZ1' ' B' ' 6' ' ' LYS . 55.6 Cg_endo -71.15 140.2 37.05 Favored 'Trans proline' 0 C--N 1.309 -1.532 0 C-N-CA 122.599 2.199 . . . . 0.0 112.114 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.05 -52.07 11.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.637 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -99.14 -34.99 10.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.708 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.436 ' O ' ' OG ' ' A' ' 22' ' ' SER . 0.1 OUTLIER -76.2 175.32 9.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.484 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' A' ' 21' ' ' CYS . 3.6 m -168.17 95.23 0.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.367 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.36 160.84 25.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.72 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.52 158.75 14.96 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -73.44 131.96 16.98 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.582 2.188 . . . . 0.0 112.165 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.1 m -130.19 93.79 2.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.496 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 143.51 165.12 10.63 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -74.74 2.43 10.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 0.0 110.428 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -133.12 128.34 35.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.372 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.3 mtp -74.48 6.61 3.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.666 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.646 ' CZ ' HD11 ' A' ' 3' ' ' LEU . 39.0 m-85 -78.29 7.34 6.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.287 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -147.97 120.91 8.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.617 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -118.06 177.22 4.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.072 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -143.44 157.81 44.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.368 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -162.28 149.19 13.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.464 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.5 p -144.19 152.16 40.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.978 0.418 . . . . 0.0 110.747 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.419 ' CG2' ' SG ' ' A' ' 21' ' ' CYS . 5.8 pt -151.5 128.28 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.386 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.607 ' SD ' ' N ' ' A' ' 39' ' ' GLY . 1.1 tmm? -86.5 141.66 28.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.403 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.607 ' N ' ' SD ' ' A' ' 38' ' ' MET . . . -39.3 110.18 0.14 Allowed Glycine 0 CA--C 1.531 1.087 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -43.94 155.32 0.22 Allowed 'Trans proline' 0 N--CA 1.491 1.382 0 C-N-CA 122.214 1.943 . . . . 0.0 112.2 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -81.63 163.18 22.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.628 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.418 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 10.5 t70 61.88 32.33 18.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.745 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.6 t -157.05 145.65 14.61 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.538 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.514 ' O ' ' N ' ' A' ' 46' ' ' GLN . 80.3 Cg_exo -38.87 -43.91 2.29 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 C-N-CA 122.637 2.225 . . . . 0.0 112.397 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -44.94 -15.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.833 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' A' ' 44' ' ' PRO . 8.3 mm100 -45.98 117.12 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.403 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.4 58.66 2.53 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -161.63 102.42 0.21 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.493 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 29.3 m -80.39 149.87 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.785 0.326 . . . . 0.0 110.552 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.493 ' CD1' ' O ' ' A' ' 49' ' ' VAL . 46.5 m-85 -145.43 136.27 24.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.55 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -109.88 150.83 27.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.384 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.72 147.62 26.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.36 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.77 167.08 12.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.339 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.431 ' N ' HD12 ' A' ' 54' ' ' ILE . 4.3 mp -137.76 124.37 27.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.597 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -97.59 156.1 16.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.554 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -136.15 105.94 9.5 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.642 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.404 ' O ' ' N ' ' A' ' 60' ' ' TYR . 71.6 Cg_endo -81.16 157.5 20.1 Favored 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 122.279 1.986 . . . . 0.0 111.869 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 34.4 p -48.98 -36.15 16.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 110.408 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -89.26 23.14 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.394 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.565 ' N ' ' HD2' ' A' ' 61' ' ' PRO . 46.9 t80 -43.68 -53.68 11.87 Favored Pre-proline 0 CA--C 1.534 0.347 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.588 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 60' ' ' TYR . 13.5 Cg_endo -55.8 -7.5 1.6 Allowed 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 122.13 1.887 . . . . 0.0 112.369 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -123.2 -37.01 2.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.982 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -109.7 119.23 48.38 Favored Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.691 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -52.3 162.35 2.17 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 122.036 1.824 . . . . 0.0 111.635 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.27 165.22 28.08 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 C-N-CA 122.635 2.223 . . . . 0.0 112.209 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.6 90.36 3.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.315 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.0 t -80.88 134.39 27.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.3 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -141.82 138.98 32.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.368 . . . . 0.0 110.884 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -84.35 110.28 18.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.296 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.442 ' H ' HG23 ' A' ' 70' ' ' THR . 7.7 p -61.71 -20.04 63.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.439 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.2 m -106.74 103.04 12.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.536 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.4 114.78 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.399 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 16.7 tt -116.43 156.7 17.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.562 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -94.22 47.6 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.412 ' O ' ' O ' ' A' ' 78' ' ' ILE . 1.6 t-80 -101.22 116.32 63.99 Favored Pre-proline 0 CA--C 1.532 0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.537 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.494 ' C ' ' H ' ' A' ' 78' ' ' ILE . 75.1 Cg_exo -44.45 -50.04 8.44 Favored 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 122.267 1.978 . . . . 0.0 112.269 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.498 HD22 ' N ' ' A' ' 77' ' ' ASN . 1.3 m-80 -55.73 -4.37 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.771 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.494 ' H ' ' C ' ' A' ' 76' ' ' PRO . 5.2 mp -140.03 130.89 31.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.666 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.42 ' ND2' HG22 ' A' ' 120' ' ' VAL . 3.7 m120 -88.33 -175.81 5.13 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.352 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 84.8 p -79.21 -15.83 57.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.316 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -78.99 -15.21 58.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.479 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 98.61 2.17 57.55 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.7 t -64.74 109.88 2.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.723 0.296 . . . . 0.0 110.6 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 6.2 mt -96.38 132.78 39.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.593 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 43.7 t -87.61 113.2 23.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.557 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.3 mt -135.81 147.3 48.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.435 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -69.08 -52.14 31.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.861 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.719 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.0 OUTLIER -51.87 -39.07 24.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.412 ' O ' ' CD2' ' A' ' 89' ' ' LEU . 1.1 tt -79.92 33.53 0.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.671 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.476 ' HB3' ' H ' ' A' ' 91' ' ' SER . 1.7 tmm_? -148.08 -94.21 0.08 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.348 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.522 ' C ' ' H ' ' A' ' 93' ' ' TRP . 48.9 m -98.56 -44.15 6.58 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.87 0.367 . . . . 0.0 110.973 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -70.23 29.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.181 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.522 ' H ' ' C ' ' A' ' 91' ' ' SER . 63.1 t-105 -78.66 123.5 27.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 0.0 110.479 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.533 ' H ' HD23 ' A' ' 97' ' ' LEU . 2.6 m -135.94 116.58 11.51 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.613 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -54.26 -1.15 0.12 Allowed 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.536 2.157 . . . . 0.0 112.341 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' A' ' 94' ' ' SER . . . -119.45 30.88 6.87 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.442 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.715 ' C ' HD12 ' A' ' 97' ' ' LEU . 3.9 pp -104.15 152.02 22.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.76 0.315 . . . . 0.0 110.306 179.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 32.8 m -93.96 150.61 20.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.898 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.548 HG23 ' N ' ' A' ' 100' ' ' SER . 3.4 tp -57.09 -44.61 83.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.496 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.548 ' N ' HG23 ' A' ' 99' ' ' ILE . 4.4 m -53.0 -39.08 62.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.512 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -53.87 -35.74 61.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.409 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 15.7 t -73.09 -51.43 26.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.72 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 43.5 mt -53.6 -42.78 68.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.684 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.3 mp -59.9 -24.94 64.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.379 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.6 m -74.62 -31.82 62.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.621 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 87.4 mt -70.25 -48.67 59.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.568 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 19.5 m -52.18 -37.36 54.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.685 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.0 m -81.96 -25.01 35.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.701 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.7 tp -67.46 -52.02 44.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.682 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.9 mp -54.75 -51.15 66.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.549 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.401 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 61.0 m -69.75 -14.98 63.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.756 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 111' ' ' CYS . 63.2 m-20 -159.6 81.43 2.49 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.762 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -79.27 -161.34 0.15 Allowed 'Trans proline' 0 C--N 1.309 -1.542 0 C-N-CA 122.503 2.136 . . . . 0.0 111.987 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -131.39 75.56 77.1 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.637 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -49.65 -17.84 2.22 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.745 2.297 . . . . 0.0 112.115 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.97 126.56 33.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.572 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 41.63 60.63 8.56 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.676 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -78.56 -162.53 0.18 Allowed 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.809 2.339 . . . . 0.0 112.258 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.5 tp -92.41 -28.07 17.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.478 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.42 HG22 ' ND2' ' A' ' 79' ' ' ASN . 3.9 t -133.92 76.85 64.06 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.566 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -50.36 -17.96 3.17 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.92 2.413 . . . . 0.0 112.404 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -68.92 -52.07 33.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.787 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 19.7 mt -78.35 -25.91 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.566 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.41 -51.71 68.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.309 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -54.84 -35.1 63.61 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.723 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 130' ' ' ASP . 23.7 mt -58.83 -56.29 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 110.399 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -63.88 -31.83 73.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.395 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -59.36 -62.44 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.11 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 78.7 p -98.41 -42.26 7.43 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.307 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 126' ' ' ILE . 8.9 m-20 -93.11 79.15 4.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.798 0.333 . . . . 0.0 110.685 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 21.6 tpt85 -78.88 -43.0 25.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.471 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -56.0 -47.23 78.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.671 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -59.82 -57.19 13.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.744 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.404 ' O ' ' OG ' ' A' ' 138' ' ' SER . 72.4 t80 -48.55 -35.85 14.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.794 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -67.76 -29.88 69.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 49.6 ttp85 -78.12 -50.06 12.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.879 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.613 HD12 ' N ' ' A' ' 137' ' ' ILE . 1.5 mp -69.07 -45.5 79.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.606 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' A' ' 134' ' ' TYR . 85.6 p -55.31 -42.17 73.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.852 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -78.69 -48.36 15.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.929 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -50.86 -41.53 58.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.415 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' TRP . . . . . 0.532 ' O ' ' N ' ' A' ' 145' ' ' TYR . 13.7 m95 -74.36 -44.69 51.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.332 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.549 ' O ' ' N ' ' A' ' 146' ' ' ALA . 99.6 m -52.34 -53.98 37.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.749 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -55.7 -31.75 62.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -94.35 -18.88 21.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.543 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . 0.532 ' N ' ' O ' ' A' ' 141' ' ' TRP . 35.1 m-85 -121.59 19.35 11.18 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 121.141 -0.224 . . . . 0.0 111.239 -179.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.549 ' N ' ' O ' ' A' ' 142' ' ' THR . . . -153.32 44.91 0.64 Allowed 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 21.6 mmt . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.419 179.862 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.536 ' SD ' ' CG2' ' B' ' 3' ' ' ILE . 11.4 tmm? . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.438 ' OE1' ' O ' ' B' ' 15' ' ' LEU . 3.8 tp-100 -81.41 145.91 30.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.665 ' C ' HD12 ' B' ' 3' ' ' ILE . 2.4 pp -148.02 153.43 11.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.323 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.577 ' CE2' ' CG2' ' B' ' 14' ' ' THR . 24.8 m-85 -106.92 109.88 21.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.443 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.409 HG12 ' H ' ' B' ' 5' ' ' VAL . 1.4 p -95.68 111.52 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.419 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.402 ' HZ1' ' C ' ' A' ' 18' ' ' PRO . 2.5 ttpm? -99.05 115.97 30.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.0 p -96.23 174.26 6.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.807 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.506 ' O ' HD23 ' B' ' 8' ' ' LEU . 0.7 OUTLIER -76.09 -10.6 59.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.44 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 4.0 m -68.01 -5.35 16.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.507 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.22 25.02 60.18 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.411 ' HB3' ' HZ3' ' B' ' 11' ' ' LYS . 0.0 OUTLIER -125.65 145.55 50.11 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.825 0.345 . . . . 0.0 110.401 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -123.69 107.9 11.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.352 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 15.6 tt -116.41 147.1 20.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.526 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.577 ' CG2' ' CE2' ' B' ' 4' ' ' PHE . 21.7 p -96.76 124.89 40.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.438 ' O ' ' OE1' ' B' ' 2' ' ' GLN . 4.1 mm? -108.36 164.03 12.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.167 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' B' ' 16' ' ' GLU . 16.0 mp0 -116.2 120.44 39.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.499 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -147.14 139.19 18.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.573 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -80.83 151.57 70.99 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.202 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.66 -25.1 40.64 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 122.579 2.186 . . . . 0.0 112.247 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.9 m -85.16 -17.15 38.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.802 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -66.86 141.23 57.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.341 . . . . 0.0 110.276 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.463 ' OG1' ' OD1' ' B' ' 25' ' ' ASN . 6.6 p -68.93 172.97 5.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.463 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.796 ' O ' HG12 ' B' ' 26' ' ' VAL . 44.9 mm -70.4 -49.18 55.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.742 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -48.85 -29.56 4.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.258 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.463 ' OD1' ' OG1' ' B' ' 22' ' ' THR . 6.1 m120 -66.93 -50.26 62.92 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 -178.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.796 HG12 ' O ' ' B' ' 23' ' ' ILE . 7.2 p -56.04 -33.62 36.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.917 -179.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -64.09 -29.07 70.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.0 0.429 . . . . 0.0 109.864 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.29 -27.85 61.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.768 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -77.39 -52.98 8.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.94 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 96.7 mt -58.4 -52.05 64.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.974 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' B' ' 35' ' ' GLY . 0.0 OUTLIER -56.68 -37.06 70.33 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.619 -179.716 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -74.72 -28.92 60.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.943 0.401 . . . . 0.0 110.204 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 11.5 tptp -76.62 -45.34 30.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.636 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -92.21 -37.06 12.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.694 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . 109.98 -26.35 14.17 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 75.6 mt -61.84 113.51 8.63 Favored Pre-proline 0 C--N 1.329 -0.308 0 C-N-CA 121.352 -0.139 . . . . 0.0 110.631 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -51.42 146.6 24.68 Favored 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 121.991 1.794 . . . . 0.0 111.864 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.51 ' C ' ' H ' ' B' ' 40' ' ' GLN . 48.8 Cg_exo -51.15 -46.27 32.05 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 122.369 2.046 . . . . 0.0 112.27 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -55.67 -2.22 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.445 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.51 ' H ' ' C ' ' B' ' 38' ' ' PRO . 42.2 mt-30 -117.64 -2.14 11.49 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.656 0.265 . . . . 0.0 110.893 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -147.28 127.85 14.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.959 0.409 . . . . 0.0 110.753 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -115.1 155.05 27.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.148 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 mp -110.3 132.22 54.36 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.936 0.398 . . . . 0.0 110.603 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.532 HD12 HG21 ' B' ' 70' ' ' VAL . 82.5 mt -131.14 141.51 45.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.01 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -129.07 122.48 30.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.543 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.69 29.09 18.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.44 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.93 28.06 63.37 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -132.79 131.5 41.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.786 0.327 . . . . 0.0 110.497 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.626 ' CD ' ' H ' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -68.81 133.63 48.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.622 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 71.7 mt -82.78 111.39 18.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.519 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' B' ' 51' ' ' GLU . 0.3 OUTLIER -49.37 124.36 9.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.281 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -56.72 -35.72 68.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.044 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.66 62.77 0.7 Allowed Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 4.7 mmt-85 -152.17 171.19 18.3 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 10.6 p -111.76 147.0 36.6 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.401 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 18.6 mt -60.36 -27.9 67.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.482 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 8.1 t -59.8 -28.99 67.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.521 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -70.14 -45.06 67.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.599 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -70.18 -1.34 9.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.418 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 48.01 56.83 6.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.787 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 mt -94.37 127.83 46.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.581 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -80.85 -171.2 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.629 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.502 ' C ' ' H ' ' B' ' 65' ' ' SER . 0.0 OUTLIER -85.44 164.09 18.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.509 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 60.13 0.23 0.27 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.672 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.502 ' H ' ' C ' ' B' ' 63' ' ' LYS . 10.1 p -45.14 168.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.463 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.93 110.01 14.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.484 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.582 ' N ' HD12 ' B' ' 67' ' ' LEU . 10.0 mp -95.9 143.39 27.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.417 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -101.2 132.67 46.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.504 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 12.2 tp -111.3 110.59 21.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.635 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.532 HG21 HD12 ' B' ' 44' ' ' ILE . 0.5 OUTLIER -104.37 160.99 4.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.338 179.852 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.566 ' N ' HD12 ' B' ' 71' ' ' LEU . 10.1 mp -93.73 132.43 38.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.636 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -115.76 131.19 57.01 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.421 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.416 ' N ' HD12 ' B' ' 73' ' ' LEU . 1.2 mp -132.03 156.78 45.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.598 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 74.85 135.59 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.458 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.87 -134.82 12.09 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.741 0 CA-C-O 117.979 -1.456 . . . . 0.0 110.857 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.1 mt -51.58 -36.89 47.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.695 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -60.06 -44.69 94.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.714 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.4 mtt-85 -74.97 -43.81 51.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.679 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 90.3 mt -58.86 -44.22 90.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.681 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -62.4 -31.53 72.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.679 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -60.97 -34.07 74.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.526 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -62.51 -30.65 71.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.58 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.556 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -74.23 -21.64 59.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.576 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.8 m -65.12 -51.05 63.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 12' ' ' ASP . 35.8 t0 -75.15 -22.02 58.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.69 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 tp -83.97 -19.43 34.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.671 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.61 -32.7 25.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.777 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.404 HH11 ' HG2' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -79.31 -88.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.574 -179.655 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -113.89 88.88 15.04 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.691 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -80.41 163.96 21.68 Favored 'Trans proline' 0 C--N 1.309 -1.502 0 C-N-CA 122.459 2.106 . . . . 0.0 111.95 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -51.58 127.84 24.01 Favored 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 122.403 2.069 . . . . 0.0 112.061 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.25 -35.34 61.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.686 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -85.57 -44.87 12.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.831 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.2 t -95.49 169.68 9.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.889 0.376 . . . . 0.0 110.617 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.2 m -139.08 155.1 48.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.272 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.99 176.15 3.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.749 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.48 138.24 2.77 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -45.02 146.28 2.61 Favored 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 122.294 1.996 . . . . 0.0 111.978 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.4 t -100.38 93.99 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.331 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.476 ' C ' ' H ' ' A' ' 29' ' ' ASP . . . 86.36 172.7 48.77 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 28' ' ' ASP . 39.9 t0 -71.87 13.61 0.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.809 0.338 . . . . 0.0 110.593 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.476 ' H ' ' C ' ' A' ' 27' ' ' GLY . 16.5 t70 -107.34 101.91 11.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.549 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.546 ' C ' ' H ' ' A' ' 32' ' ' HIS . 0.1 OUTLIER -55.99 -161.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.129 179.873 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 58.02 0.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.658 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.546 ' H ' ' C ' ' A' ' 30' ' ' MET . 11.1 t-160 -128.12 120.91 28.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.351 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 21.7 m95 -127.81 171.3 11.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.532 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -141.23 157.84 44.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.452 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.728 ' HB2' HD11 ' A' ' 54' ' ' ILE . . . -147.63 157.77 43.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.693 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.3 m -145.96 145.92 30.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.436 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.8 mt -146.61 160.15 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.485 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.463 ' O ' ' C ' ' A' ' 39' ' ' GLY . 0.8 OUTLIER -131.0 129.92 42.69 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.479 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 38' ' ' MET . . . -31.0 96.76 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -50.29 144.68 22.9 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 122.356 2.037 . . . . 0.0 112.088 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.67 HD22 ' N ' ' A' ' 42' ' ' ASP . 0.7 OUTLIER -56.52 166.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.478 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.687 ' H ' ' NE2' ' A' ' 46' ' ' GLN . 2.5 m-20 58.12 40.97 24.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.459 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.77 149.25 21.82 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.25 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -69.83 0.6 5.47 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.485 2.123 . . . . 0.0 112.264 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.545 ' OH ' ' CD2' ' A' ' 75' ' ' HIS . 30.8 m-85 -90.07 -5.74 56.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.684 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.687 ' NE2' ' H ' ' A' ' 42' ' ' ASP . 72.7 mt-30 -55.83 116.88 3.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.487 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 141.03 -75.5 0.34 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -78.94 171.94 55.19 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.1 t -123.57 147.01 28.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.73 0.3 . . . . 0.0 110.464 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 37.6 m-85 -109.36 170.86 7.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -140.0 153.09 46.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.382 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.965 HD23 ' N ' ' A' ' 53' ' ' THR . 7.6 tt -149.87 156.71 42.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.406 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.965 ' N ' HD23 ' A' ' 52' ' ' LEU . 2.3 m -137.86 131.26 30.78 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.636 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.885 ' H ' HD12 ' A' ' 54' ' ' ILE . 0.7 OUTLIER -101.62 122.12 53.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.548 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -107.88 144.25 35.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.705 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -115.82 128.39 26.01 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.145 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.491 ' C ' ' H ' ' A' ' 59' ' ' ASP . 93.1 Cg_endo -81.28 135.54 9.6 Favored 'Trans proline' 0 N--CA 1.491 1.325 0 C-N-CA 122.297 1.998 . . . . 0.0 112.106 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.421 HG23 ' H ' ' A' ' 58' ' ' THR . 3.9 p -50.26 -11.48 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.222 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.491 ' H ' ' C ' ' A' ' 57' ' ' PRO . 1.2 m-20 -81.26 23.74 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.567 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.491 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 77.2 m-85 75.65 149.2 0.12 Allowed Pre-proline 0 N--CA 1.463 0.182 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.569 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.521 ' O ' ' N ' ' A' ' 63' ' ' LYS . 50.7 Cg_endo -69.11 -30.39 25.38 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.686 2.257 . . . . 0.0 113.841 -179.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 62' ' ' PHE . 2.8 p90 -46.61 -13.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.438 -179.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.521 ' N ' ' O ' ' A' ' 61' ' ' PRO . 26.6 mtpt -92.05 154.5 43.37 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.86 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.82 107.67 0.27 Allowed 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.656 2.237 . . . . 0.0 111.908 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.476 ' CD ' ' CZ3' ' A' ' 93' ' ' TRP . 31.5 Cg_exo -55.48 172.13 0.52 Allowed 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.32 2.014 . . . . 0.0 112.267 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.31 82.89 1.71 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.346 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.549 HG23 HD21 ' A' ' 52' ' ' LEU . 3.7 p -86.27 148.07 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.506 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -151.02 135.87 17.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.787 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.451 ' HB2' HD11 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -87.87 106.65 18.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.009 179.735 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -40.01 92.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.691 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.639 HG22 ' N ' ' A' ' 72' ' ' ARG . 93.8 m -86.48 166.58 15.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.577 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.639 ' N ' HG22 ' A' ' 71' ' ' THR . 0.0 OUTLIER -96.51 145.34 25.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.124 179.814 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.1 tt -153.1 136.53 7.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.577 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -93.2 88.19 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.578 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.545 ' CD2' ' OH ' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -138.08 144.94 45.62 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.036 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.403 ' HD2' ' HD1' ' A' ' 75' ' ' HIS . 48.6 Cg_endo -69.88 -24.16 29.43 Favored 'Trans proline' 0 C--N 1.31 -1.468 0 C-N-CA 122.431 2.088 . . . . 0.0 111.816 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -90.69 -17.27 27.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.58 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 48.4 mt -130.32 120.39 48.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.54 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.499 ' ND2' ' H ' ' A' ' 80' ' ' SER . 4.5 t-20 -79.98 159.59 26.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.64 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.499 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 39.7 m -66.91 -21.31 65.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.581 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -72.86 -1.13 15.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.468 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.82 35.09 20.1 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.9 m -96.44 104.77 16.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.759 0.314 . . . . 0.0 110.562 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.801 HD12 ' N ' ' A' ' 84' ' ' ILE . 2.0 mp -91.84 134.36 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.23 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.526 ' SG ' HD13 ' A' ' 119' ' ' LEU . 56.9 m -127.22 126.04 42.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.598 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.1 mt -143.39 163.34 33.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.297 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -69.03 -52.22 30.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.761 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.72 HD12 ' N ' ' A' ' 89' ' ' LEU . 2.8 pp -59.32 -16.79 10.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.747 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.72 ' N ' HD12 ' A' ' 88' ' ' ILE . 2.7 tp -80.84 -12.87 59.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.938 0.399 . . . . 0.0 110.162 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.7 tpt85 -95.87 -130.22 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.472 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.495 ' C ' ' H ' ' A' ' 93' ' ' TRP . 25.7 t -78.81 -17.95 54.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.727 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -72.65 16.32 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.38 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.64 ' CD1' ' N ' ' A' ' 94' ' ' SER . 29.5 t-105 -76.72 157.4 31.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.543 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.64 ' N ' ' CD1' ' A' ' 93' ' ' TRP . 4.6 m -139.68 121.87 10.04 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.302 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -45.77 -9.87 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 122.029 1.82 . . . . 0.0 112.012 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.548 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -110.2 23.01 14.86 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.506 HD23 ' N ' ' A' ' 98' ' ' THR . 2.7 tt -79.89 115.82 19.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.415 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.506 ' N ' HD23 ' A' ' 97' ' ' LEU . 5.3 t -81.95 -171.94 3.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.461 ' N ' ' OG1' ' A' ' 98' ' ' THR . 8.5 mm -92.12 -43.71 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.49 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.1 m -52.91 -18.95 2.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.968 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -82.06 -51.1 8.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.916 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 24.5 t -54.82 -51.45 52.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.734 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.42 ' N ' HD12 ' A' ' 103' ' ' LEU . 8.4 mp -53.08 -50.1 65.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.605 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.536 HD13 ' O ' ' A' ' 104' ' ' LEU . 0.2 OUTLIER -64.15 -45.11 89.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.349 -179.839 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.1 t -48.95 -49.51 40.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.57 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.15 -47.12 95.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.563 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.3 t -55.58 -31.74 62.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.578 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.5 p -71.62 -31.27 66.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.648 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.465 HD22 ' HA ' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -62.31 -49.69 74.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.364 -179.841 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 17.2 mt -63.49 -37.03 85.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.615 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 16.2 t -65.94 -30.51 71.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -145.76 80.15 10.75 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.617 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -79.19 115.34 3.48 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 122.66 2.24 . . . . 0.0 112.197 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -107.79 109.99 62.39 Favored Pre-proline 0 CA--C 1.532 0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.569 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -78.86 37.58 0.67 Allowed 'Trans proline' 0 N--CA 1.491 1.344 0 C-N-CA 122.34 2.027 . . . . 0.0 111.879 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -82.96 -34.15 26.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.738 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -142.01 60.42 10.86 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.803 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -78.86 -174.19 2.18 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.841 2.36 . . . . 0.0 111.951 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.526 HD13 ' SG ' ' A' ' 85' ' ' CYS . 0.2 OUTLIER -134.54 12.86 3.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.349 179.782 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.0 t -138.45 67.63 45.38 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.252 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -44.71 -20.58 0.37 Allowed 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.874 2.382 . . . . 0.0 112.345 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -69.99 -46.97 64.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.586 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 85.2 mt -77.97 -46.28 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.805 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.98 -44.87 60.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.717 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -54.98 -52.08 64.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.678 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' A' ' 130' ' ' ASP . 57.0 mt -57.81 -56.18 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.581 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -55.36 -31.92 62.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.79 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -68.15 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 48.6 p -76.62 -42.22 43.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.219 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.549 ' N ' ' O ' ' A' ' 126' ' ' ILE . 36.6 m-20 -101.63 94.91 6.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.711 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 5.3 tpt85 -88.03 -30.86 19.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.624 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -74.12 -49.13 25.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.995 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -59.65 -57.23 13.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.728 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.467 ' C ' ' CD1' ' A' ' 134' ' ' TYR . 18.2 t80 -48.55 -44.2 36.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.632 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -54.47 -31.01 54.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.793 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 36.2 ttt85 -76.78 -48.76 17.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.817 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.442 ' N ' HD13 ' A' ' 137' ' ' ILE . 4.4 mm -56.92 -44.48 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.638 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 90.2 p -47.77 -53.09 16.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.055 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.405 HH11 ' NH2' ' B' ' 74' ' ' ARG . 14.1 ptt180 -78.78 -33.18 46.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.22 -179.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -50.83 -47.04 60.2 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.796 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' TRP . . . . . 0.443 ' CE3' ' CE2' ' A' ' 145' ' ' TYR . 27.7 m95 -74.17 -42.12 60.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.639 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.562 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 22.9 m -58.5 -18.61 30.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.955 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -75.94 -37.59 58.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.86 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -101.27 -18.94 15.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.205 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . 0.443 ' CE2' ' CE3' ' A' ' 141' ' ' TRP . 71.7 m-85 -109.26 19.26 19.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.6 -179.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 142' ' ' THR . . . -166.53 5.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.666 -0.413 . . . . 0.0 110.821 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 14.3 mtm . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.396 179.867 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.44 ' N ' ' O ' ' B' ' 17' ' ' VAL . 5.2 ptt? . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -84.96 134.33 34.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.686 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.8 pt -132.34 160.97 42.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.414 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -96.98 133.08 42.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.458 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 59.6 t -123.32 103.0 12.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.528 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -85.54 130.02 34.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.46 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.532 ' OG1' ' N ' ' B' ' 11' ' ' LYS . 35.5 p -86.99 176.62 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.874 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.408 ' O ' HD23 ' B' ' 8' ' ' LEU . 3.2 tt -75.03 -39.17 61.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.047 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.2 p -69.33 -18.29 63.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.647 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.98 -8.18 21.43 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.532 ' N ' ' OG1' ' B' ' 7' ' ' THR . 1.2 tmtp? -63.73 134.19 54.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.718 0.294 . . . . 0.0 110.346 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 60.5 m -127.74 131.61 49.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.783 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 9.0 pt -148.43 147.18 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.45 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 32.1 p -74.56 142.72 44.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.52 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 tp -127.55 134.97 49.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.312 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -88.4 119.39 28.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.526 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.484 HG12 ' N ' ' B' ' 18' ' ' GLU . 3.9 t -143.5 166.78 13.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.635 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.484 ' N ' HG12 ' B' ' 17' ' ' VAL . 6.1 mt-10 -120.45 155.75 56.18 Favored Pre-proline 0 C--N 1.332 -0.166 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.925 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.35 -32.88 40.18 Favored 'Trans proline' 0 C--N 1.308 -1.586 0 C-N-CA 122.653 2.235 . . . . 0.0 112.46 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.7 m -86.42 -17.08 35.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.007 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -57.85 129.83 43.71 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.35 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.67 140.91 49.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.343 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.52 HD12 ' O ' ' B' ' 51' ' ' GLU . 67.3 mt -55.0 -39.69 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.423 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -48.92 -30.01 5.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.562 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -79.91 -34.28 39.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.721 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 86.2 t -53.04 -41.05 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.366 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.416 ' NZ ' ' OD1' ' B' ' 52' ' ' ASP . 1.7 mptm? -57.31 -41.84 80.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.426 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.06 -46.24 85.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.711 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 52.1 mttm -56.16 -53.89 51.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.653 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.634 HG22 HD11 ' B' ' 36' ' ' ILE . 4.4 mm -47.99 -42.8 10.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.732 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.461 ' HA ' ' H ' ' B' ' 36' ' ' ILE . 37.3 tt0 -60.21 -54.3 47.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.323 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -60.21 -28.62 68.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.575 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -83.24 -66.0 0.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.502 ' OE2' ' CG2' ' B' ' 7' ' ' THR . 6.2 mt-10 -85.9 -37.47 19.07 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -178.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.477 ' N ' HD13 ' B' ' 36' ' ' ILE . . . 98.76 67.07 0.87 Allowed Glycine 0 CA--C 1.528 0.894 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.978 179.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.635 ' N ' HD13 ' B' ' 36' ' ' ILE . 0.0 OUTLIER -139.68 106.0 6.97 Favored Pre-proline 0 CA--C 1.532 0.275 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.143 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' B' ' 39' ' ' ASP . 50.4 Cg_exo -51.17 115.8 2.27 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 121.991 1.794 . . . . 0.0 112.21 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -47.37 -12.17 0.11 Allowed 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.536 2.157 . . . . 0.0 112.439 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' B' ' 37' ' ' PRO . 20.5 m-20 -60.32 -28.3 68.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.303 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -130.24 -1.86 4.51 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.499 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -95.6 136.41 36.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.007 0.432 . . . . 0.0 111.13 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.701 ' HE ' ' NH2' ' B' ' 72' ' ' ARG . 0.3 OUTLIER -145.15 146.72 31.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.894 179.466 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.423 HD12 ' N ' ' B' ' 43' ' ' LEU . 6.7 mp -108.37 157.45 18.38 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.984 0.421 . . . . 0.0 110.748 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.441 HD11 HH11 ' B' ' 42' ' ' ARG . 11.7 mt -144.01 130.43 16.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.409 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -111.92 130.23 55.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.499 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.13 33.52 7.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.495 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.6 18.72 80.01 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -122.73 117.96 26.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.775 0.322 . . . . 0.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -56.3 130.35 44.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.439 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.656 ' N ' HD12 ' B' ' 50' ' ' LEU . 8.7 mp -68.11 -178.95 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.569 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.526 ' OE1' ' NE ' ' B' ' 54' ' ' ARG . 91.8 mt-10 -132.68 116.47 16.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.366 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.416 ' OD1' ' NZ ' ' B' ' 27' ' ' LYS . 3.9 m-20 -61.67 -21.87 64.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.96 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.97 -67.71 1.92 Allowed Glycine 0 CA--C 1.528 0.846 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.099 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.526 ' NE ' ' OE1' ' B' ' 51' ' ' GLU . 9.5 ptp180 -76.75 174.02 10.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.996 0.427 . . . . 0.0 111.297 -178.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.447 ' O ' ' OD1' ' B' ' 58' ' ' ASP . 16.9 p -91.41 -173.46 3.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.78 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.413 HD22 HG21 ' B' ' 61' ' ' ILE . 13.3 mt -80.34 -21.74 42.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.763 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 35.5 p -53.89 -38.89 65.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.044 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' B' ' 55' ' ' THR . 0.1 OUTLIER -66.94 -33.68 76.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.752 -179.727 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.473 ' C ' ' H ' ' B' ' 61' ' ' ILE . 35.0 m-85 -81.41 15.7 1.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.587 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 55.52 6.12 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.809 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.473 ' H ' ' C ' ' B' ' 59' ' ' TYR . 50.2 mt -75.59 121.61 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.237 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -163.05 92.26 0.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.77 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 44.4 tttt 66.98 148.96 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.748 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 51.28 33.65 10.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.42 ' CB ' HG23 ' B' ' 61' ' ' ILE . 84.6 p -105.12 134.1 48.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.608 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 26.4 m -101.84 113.88 27.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.424 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 10.7 mt -102.6 132.44 48.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.67 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -89.03 110.69 21.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.342 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.4 tp -77.54 142.11 39.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.628 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 33.1 t -135.74 112.02 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.208 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.528 HD23 ' N ' ' B' ' 72' ' ' ARG . 1.7 tt -94.22 111.71 23.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.732 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.701 ' NH2' ' HE ' ' B' ' 42' ' ' ARG . 30.4 ttm-85 -81.39 158.81 24.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.115 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.406 ' N ' HD12 ' B' ' 73' ' ' LEU . 2.5 mp -135.39 -157.3 0.78 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.593 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.405 ' NH2' HH11 ' A' ' 139' ' ' ARG . 7.6 tpt180 62.46 135.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.603 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.34 -5.73 0.06 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.774 0 CA-C-O 118.035 -1.425 . . . . 0.0 110.932 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.578 HD12 ' N ' ' A' ' 3' ' ' LEU . 10.0 mp -50.27 -31.56 14.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.44 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -64.77 -45.08 87.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.294 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -71.23 -38.08 71.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.386 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 75.6 mt -68.42 -38.95 80.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.439 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 7' ' ' ASN . 0.5 OUTLIER -62.5 -21.03 65.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.455 179.839 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.7 tttt -60.94 -47.31 87.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.406 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.451 ' HG2' ' H ' ' A' ' 99' ' ' ILE . 23.1 mp0 -59.55 -52.04 67.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.613 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.559 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -49.93 -33.72 18.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.324 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.0 t -61.27 -38.93 88.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.471 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.31 -51.35 63.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.454 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 13' ' ' LEU . 9.0 mp -54.92 -27.88 46.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.151 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.54 -16.87 60.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.265 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 56.9 mtp85 -100.71 -57.08 2.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.79 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.41 ' O ' ' OD2' ' A' ' 16' ' ' ASP . 6.4 p-10 -161.77 89.1 1.49 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.952 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -55.07 161.42 6.66 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.513 2.142 . . . . 0.0 111.453 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' A' ' 21' ' ' CYS . 18.9 Cg_endo -60.28 129.97 32.12 Favored 'Trans proline' 0 C--N 1.307 -1.631 0 C-N-CA 122.368 2.046 . . . . 0.0 111.584 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.14 -52.14 13.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.066 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -60.62 -56.04 26.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.791 0.329 . . . . 0.0 110.663 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.64 ' SG ' ' N ' ' A' ' 22' ' ' SER . 19.4 t -107.37 168.11 9.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.64 ' N ' ' SG ' ' A' ' 21' ' ' CYS . 1.8 p -121.61 169.94 10.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.88 0.371 . . . . 0.0 110.652 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.73 159.42 5.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.487 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.06 116.81 0.46 Allowed Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -80.58 148.14 17.97 Favored 'Trans proline' 0 N--CA 1.49 1.316 0 C-N-CA 122.321 2.014 . . . . 0.0 112.134 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.407 HG12 ' H ' ' A' ' 28' ' ' ASP . 6.4 t -69.28 111.32 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.529 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -44.13 -25.91 0.79 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.407 ' H ' HG12 ' A' ' 26' ' ' VAL . 1.2 m-20 -47.52 -61.82 1.74 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.781 0.324 . . . . 0.0 110.644 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -142.41 149.59 39.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.638 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -88.02 52.37 2.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.521 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -141.13 8.54 2.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.29 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -134.17 120.87 20.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.865 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 40.9 m95 -124.71 143.58 50.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.703 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -128.55 159.9 34.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.387 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -158.62 141.16 14.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.708 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.9 m -125.01 154.81 40.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.426 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.5 pt -139.97 125.47 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.628 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.591 ' SD ' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -91.31 131.45 36.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.403 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.591 ' N ' ' SD ' ' A' ' 38' ' ' MET . . . -40.66 123.0 2.26 Favored Glycine 0 CA--C 1.531 1.086 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.26 161.66 31.88 Favored 'Trans proline' 0 N--CA 1.492 1.416 0 C-N-CA 122.209 1.939 . . . . 0.0 112.073 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -83.21 46.59 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.527 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.416 ' OD2' ' O ' ' A' ' 42' ' ' ASP . 23.9 t70 -161.21 23.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.51 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.6 t -152.97 142.98 15.2 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.216 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -70.18 64.18 2.04 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.314 2.009 . . . . 0.0 111.92 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -150.77 -1.25 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.348 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -46.47 149.21 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.499 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.5 35.33 63.01 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -150.87 138.5 6.66 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.4 m -115.19 148.17 18.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.795 0.331 . . . . 0.0 110.56 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.581 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 1.9 m-85 -137.54 138.23 39.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.455 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.402 ' O ' ' OG1' ' A' ' 70' ' ' THR . 61.1 m-85 -101.31 138.16 38.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.475 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.02 112.46 16.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.093 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.73 131.29 36.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.408 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.7 mp -113.62 112.79 41.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.577 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -78.0 132.83 37.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.306 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -109.33 105.42 57.18 Favored Pre-proline 0 CA--C 1.532 0.251 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.83 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -83.75 167.14 13.16 Favored 'Trans proline' 0 C--N 1.312 -1.359 0 C-N-CA 122.427 2.084 . . . . 0.0 111.691 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.9 p -63.94 -34.78 78.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.913 0.387 . . . . 0.0 110.412 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -84.57 23.79 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.664 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.579 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 80.0 t80 -54.62 -37.54 56.19 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.081 -179.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 60' ' ' TYR . 17.7 Cg_exo -64.49 -14.75 46.1 Favored 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 121.982 1.788 . . . . 0.0 112.407 -179.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -123.21 -49.39 1.94 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.81 0.338 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.79 133.59 26.35 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.205 -179.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -69.89 161.34 46.32 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 122.204 1.936 . . . . 0.0 112.291 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.17 166.1 30.89 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.657 2.238 . . . . 0.0 112.264 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 48.1 tttm -108.83 84.0 1.85 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.415 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.7 p -81.02 148.1 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -151.12 145.9 25.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.541 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.76 114.14 8.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.232 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 51' ' ' PHE . 56.6 p -64.74 -19.97 66.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.668 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 p -123.23 148.78 45.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.532 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -79.51 123.16 27.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.148 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.508 HG23 ' O ' ' A' ' 73' ' ' ILE . 14.7 tt -134.59 120.86 33.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.587 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.678 ' CD2' HD12 ' A' ' 137' ' ' ILE . 0.2 OUTLIER -64.21 98.74 0.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.233 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.538 ' ND1' ' OD1' ' A' ' 77' ' ' ASN . 1.6 t-80 -152.13 121.02 3.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.178 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.497 ' C ' ' H ' ' A' ' 78' ' ' ILE . 84.5 Cg_exo -43.22 -51.75 5.47 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 C-N-CA 122.239 1.959 . . . . 0.0 112.343 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.962 HD22 HD12 ' A' ' 109' ' ' LEU . 1.3 p30 -65.54 6.58 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.497 ' H ' ' C ' ' A' ' 76' ' ' PRO . 10.4 mt -148.21 115.87 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.654 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 80' ' ' SER . 18.4 t-20 -78.47 -157.33 0.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.558 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.446 ' N ' ' OD1' ' A' ' 79' ' ' ASN . 8.4 t -88.76 -26.2 21.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.744 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -73.03 3.67 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.576 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.22 5.26 87.3 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.426 ' O ' HG23 ' A' ' 78' ' ' ILE . 3.7 m -56.41 143.67 33.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.332 . . . . 0.0 110.541 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 6.3 mt -131.25 130.06 63.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.516 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 12.2 t -94.66 112.76 24.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.655 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.9 mt -130.51 145.64 51.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.03 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -65.73 -52.07 54.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.912 -179.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.54 ' N ' HD13 ' A' ' 88' ' ' ILE . 0.1 OUTLIER -58.97 -20.4 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.566 -178.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.0 tp -90.67 27.89 1.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 110.44 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -140.42 -102.18 0.15 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 27.3 p -97.91 -17.14 19.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.642 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -87.75 18.53 3.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.659 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 72.1 t-105 -76.02 151.59 37.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.173 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.4 m -142.66 126.38 9.54 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.62 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -45.82 -35.84 14.2 Favored 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 122.179 1.919 . . . . 0.0 112.134 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.83 5.55 51.3 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.966 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.3 tt -43.9 149.69 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.468 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.7 p -105.95 131.98 52.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.474 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.497 HG23 ' N ' ' A' ' 100' ' ' SER . 9.7 tp -48.82 -40.02 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.946 0.403 . . . . 0.0 110.12 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.497 ' N ' HG23 ' A' ' 99' ' ' ILE . 10.3 t -59.8 -15.28 19.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.763 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -82.41 -34.94 28.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.356 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.7 t -68.84 -54.4 20.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.671 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.553 HD13 ' SG ' ' A' ' 21' ' ' CYS . 1.0 OUTLIER -60.19 -37.54 80.54 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.3 -179.261 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.504 ' N ' HD12 ' A' ' 103' ' ' LEU . 0.6 OUTLIER -59.84 -41.29 91.07 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.324 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.0 m -54.2 -22.01 10.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.823 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.2 mm -69.13 -55.44 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.448 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 12.4 t -50.97 -50.19 58.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.552 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 46.7 m -53.91 -33.92 58.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.626 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.962 HD12 HD22 ' A' ' 77' ' ' ASN . 0.1 OUTLIER -72.33 -49.62 33.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.473 -179.879 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 39.1 mt -69.35 -28.26 66.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.572 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 81.1 m -69.73 -8.45 48.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.474 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -153.79 90.31 3.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.45 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -79.3 80.97 2.92 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.436 2.091 . . . . 0.0 112.089 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -95.97 111.17 55.28 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.447 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -79.12 46.31 2.16 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 122.248 1.965 . . . . 0.0 111.99 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.53 -39.33 13.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.649 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -141.44 62.38 15.37 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.692 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -79.96 -177.1 3.58 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.904 2.403 . . . . 0.0 112.031 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 78.9 mt -101.1 -38.14 8.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.595 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.3 t -116.49 84.17 14.47 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.538 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -47.43 -18.02 0.73 Allowed 'Trans proline' 0 C--N 1.309 -1.54 0 C-N-CA 122.485 2.123 . . . . 0.0 112.017 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -63.85 -41.75 97.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.476 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 43.2 mt -75.18 -32.64 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.445 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.17 -45.8 86.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.689 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -54.96 -35.48 64.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.547 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 130' ' ' ASP . 37.2 mt -69.78 -56.07 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.442 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.528 ' O ' ' NH1' ' A' ' 131' ' ' ARG . 68.3 t80 -62.6 -31.62 72.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.753 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -50.8 -50.77 55.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.37 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 13.6 p -127.61 -39.84 1.8 Allowed 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 121.081 -0.248 . . . . 0.0 111.218 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 126' ' ' ILE . 38.3 t0 -79.96 98.25 7.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.829 0.347 . . . . 0.0 110.847 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.528 ' NH1' ' O ' ' A' ' 127' ' ' TYR . 0.2 OUTLIER -95.37 -40.59 9.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.281 179.709 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.99 -48.99 52.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.828 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 136' ' ' ARG . 49.7 tttp -69.84 -52.86 21.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.479 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.567 ' HA ' HD11 ' A' ' 137' ' ' ILE . 38.9 t80 -48.38 -27.67 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.461 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -74.92 -29.83 61.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.414 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 133' ' ' LYS . 12.9 ttm-85 -72.7 -50.16 26.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.678 HD12 ' CD2' ' A' ' 74' ' ' TYR . 1.0 OUTLIER -62.94 -49.16 84.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 110.706 -179.711 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . 0.416 ' O ' ' OG1' ' A' ' 142' ' ' THR . 68.3 m -45.96 -48.11 16.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.923 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 42.5 mtp85 -79.11 -40.55 30.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.202 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -51.01 -41.05 59.55 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.94 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -84.82 -5.69 59.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.903 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.54 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 29.5 m -82.5 -60.28 2.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.911 0.386 . . . . 0.0 110.504 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -62.11 -31.35 71.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.625 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -48.53 -52.11 24.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.187 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -133.02 -33.15 1.17 Allowed 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.425 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 142' ' ' THR . . . -71.72 58.2 0.31 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.905 0.383 . . . . 0.0 110.757 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 2.3 mtm . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.296 179.862 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 39.3 mtm . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -123.42 101.52 7.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.419 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 26.4 pt -97.97 -175.91 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.368 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -126.45 129.14 48.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.886 0.374 . . . . 0.0 110.741 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 89.7 t -107.94 108.76 26.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.405 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.0 tttm -84.91 135.74 33.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.724 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 16.4 m -104.54 152.19 22.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.404 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 tp -56.48 -31.85 64.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.48 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 2.8 m -78.82 1.47 23.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.539 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.93 0.36 85.73 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.53 101.27 4.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.86 0.362 . . . . 0.0 110.354 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 32.7 m -94.29 141.86 28.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.456 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 9.5 tt -151.08 147.04 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.625 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 18.9 p -87.8 130.84 34.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.842 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.455 HD11 ' HB3' ' B' ' 29' ' ' LYS . 8.8 tp -104.85 145.48 30.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.534 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -107.19 109.23 21.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.465 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.546 HG22 ' N ' ' B' ' 18' ' ' GLU . 12.7 p -155.41 161.26 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.637 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.546 ' N ' HG22 ' B' ' 17' ' ' VAL . 0.0 OUTLIER -91.59 162.21 32.14 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.37 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.99 -16.16 25.82 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.732 2.288 . . . . 0.0 112.437 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.7 t -100.76 7.02 44.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.803 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -80.22 140.21 36.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.46 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 13.0 p -81.6 141.16 33.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.659 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 29.3 mm -49.29 -33.54 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.526 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -48.9 -37.16 18.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.27 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -83.79 -38.44 21.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.641 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 46.0 t -52.94 -48.1 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.366 . . . . 0.0 110.376 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.524 ' O ' ' NE2' ' B' ' 41' ' ' GLN . 75.8 mttt -55.27 -48.97 73.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.38 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.87 -33.86 73.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.305 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.455 ' HB3' HD11 ' B' ' 15' ' ' LEU . 3.4 tptp -57.75 -49.37 76.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.246 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 64.8 mt -66.75 -31.99 55.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.607 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' B' ' 35' ' ' GLY . 5.5 tm0? -66.56 -54.52 22.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -60.51 -28.85 68.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.91 0.386 . . . . 0.0 110.375 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -55.07 -66.09 0.47 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.915 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -105.14 -37.2 7.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.119 -179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . 123.73 31.71 0.93 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 22.4 mt -91.99 114.06 60.9 Favored Pre-proline 0 C--N 1.328 -0.338 0 N-CA-C 110.516 -0.179 . . . . 0.0 110.516 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.27 148.69 18.2 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 122.012 1.808 . . . . 0.0 111.716 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -70.71 -20.4 30.41 Favored 'Trans proline' 0 C--N 1.309 -1.525 0 C-N-CA 122.656 2.238 . . . . 0.0 112.51 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -87.09 -1.88 58.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.213 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -116.98 -1.9 11.86 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.042 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' B' ' 27' ' ' LYS . 0.7 OUTLIER -127.65 94.22 3.91 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.772 0.32 . . . . 0.0 110.696 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -97.56 126.4 42.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.299 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.607 HD12 ' N ' ' B' ' 43' ' ' LEU . 8.9 mp -85.91 153.56 22.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.695 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 10.2 mt -144.16 128.0 12.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.374 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -118.44 129.68 55.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.55 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.9 28.9 11.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.682 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.36 28.08 58.47 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -134.73 137.76 43.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.808 0.337 . . . . 0.0 110.572 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.62 137.42 49.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.377 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.709 ' N ' HD12 ' B' ' 50' ' ' LEU . 7.0 mp -80.72 177.04 9.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.526 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -127.05 136.11 51.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.314 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.7 p30 -60.18 -19.19 52.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.895 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.74 -18.88 39.22 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.764 -0.535 . . . . 0.0 111.764 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.433 ' CB ' ' OH ' ' B' ' 59' ' ' TYR . 0.3 OUTLIER -76.84 166.23 23.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.944 0.402 . . . . 0.0 110.679 -179.724 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 7.4 p -121.17 174.91 6.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.21 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 mp -68.94 -43.89 74.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.104 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 24.3 p -54.06 -28.92 41.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.608 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -58.55 -45.17 89.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.635 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.433 ' OH ' ' CB ' ' B' ' 54' ' ' ARG . 2.6 m-85 -95.05 19.02 11.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.421 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 72.88 -74.08 0.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.918 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 18.7 mm 51.26 93.28 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.344 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.442 ' O ' ' O ' ' B' ' 63' ' ' LYS . 18.8 mm100 -97.58 54.79 1.19 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.923 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' B' ' 62' ' ' GLN . 23.3 ttmt 56.4 158.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 110.575 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 55.21 29.55 12.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.758 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 39.4 m -75.45 168.08 20.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.378 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.9 m -136.46 109.01 7.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.671 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 mp -102.22 156.43 17.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.26 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -98.3 123.64 42.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.611 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.579 HD23 ' N ' ' B' ' 70' ' ' VAL . 3.5 tt -108.27 113.78 27.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.282 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.579 ' N ' HD23 ' B' ' 69' ' ' LEU . 5.1 t -105.97 143.43 16.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.74 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.562 ' N ' HD12 ' B' ' 71' ' ' LEU . 10.5 mp -94.44 152.01 18.93 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.509 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 48.5 ttt85 -105.42 98.77 8.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.482 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.523 ' H ' HD12 ' B' ' 73' ' ' LEU . 0.0 OUTLIER -129.26 158.74 38.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.308 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 17.5 ttp85 -168.25 72.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.677 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 166.89 37.85 0.02 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.775 0 CA-C-O 118.04 -1.422 . . . . 0.0 110.945 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.7 mt -67.78 -30.01 69.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.542 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.08 -39.96 63.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.568 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -65.41 -46.19 80.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.859 0.362 . . . . 0.0 110.09 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 73.4 mt -63.2 -45.25 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.559 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -52.94 -30.2 33.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.479 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -66.82 -33.92 76.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.496 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.519 ' OE2' ' N ' ' A' ' 99' ' ' ILE . 2.1 tt0 -69.56 -49.3 55.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.314 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.611 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -52.58 -23.37 6.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.126 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.1 t -63.25 -40.83 98.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.559 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -77.46 -37.12 52.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.555 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 tp -65.28 -61.04 2.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.526 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.92 -27.78 14.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.601 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -38.64 78.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.449 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -172.71 86.02 0.42 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.518 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -46.21 133.52 15.31 Favored 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.464 2.11 . . . . 0.0 111.94 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -51.32 127.69 23.04 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 122.024 1.816 . . . . 0.0 112.03 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.474 ' HB2' ' NZ ' ' B' ' 6' ' ' LYS . . . -75.34 -32.98 61.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.948 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -80.45 -56.08 4.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.098 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.0 m -119.02 77.13 1.16 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.807 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.5 m -58.03 141.47 49.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.377 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.96 176.05 12.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.602 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.83 171.02 36.47 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -72.97 145.2 39.56 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.763 2.309 . . . . 0.0 112.042 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.579 ' CG2' HE21 ' A' ' 34' ' ' GLN . 5.0 t -79.42 150.58 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.566 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.59 -12.27 63.81 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.408 ' H ' HG12 ' A' ' 26' ' ' VAL . 26.8 t0 -69.22 -54.71 13.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.876 0.369 . . . . 0.0 110.587 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -170.48 144.9 2.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 86.7 mmm -63.54 -17.09 62.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.615 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -74.19 8.53 2.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.56 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -148.04 120.81 8.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.571 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -111.98 165.89 11.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.057 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.579 HE21 ' CG2' ' A' ' 26' ' ' VAL . 43.0 mt-30 -146.23 141.66 27.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.609 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.508 ' O ' ' CD1' ' A' ' 51' ' ' PHE . . . -123.75 173.22 8.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.165 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.7 m -144.98 145.48 31.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.049 0.452 . . . . 0.0 110.869 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.9 pt -143.25 153.95 16.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.096 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 6.1 ttt -133.96 139.28 46.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.802 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.61 ' C ' ' H ' ' A' ' 41' ' ' ASN . . . -40.33 104.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 41' ' ' ASN . 50.2 Cg_exo -50.51 1.45 0.03 OUTLIER 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.389 2.059 . . . . 0.0 112.322 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.61 ' H ' ' C ' ' A' ' 39' ' ' GLY . 0.3 OUTLIER 82.78 29.83 0.1 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.907 0.384 . . . . 0.0 110.314 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -137.21 -19.15 1.28 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.392 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.0 m -103.03 146.82 33.13 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.424 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -40.68 -34.78 1.35 Allowed 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 122.565 2.177 . . . . 0.0 112.318 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -71.96 48.83 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -74.06 118.22 16.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.583 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.81 -34.69 4.26 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.5 128.61 45.84 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.8 m -92.15 145.64 7.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.715 0.293 . . . . 0.0 110.603 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -132.36 154.92 49.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.4 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.508 ' CD1' ' O ' ' A' ' 35' ' ' ALA . 0.1 OUTLIER -140.12 146.2 38.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.432 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.99 168.97 18.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.412 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.512 HG22 ' N ' ' A' ' 54' ' ' ILE . 32.7 m -127.76 160.9 30.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.678 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.512 ' N ' HG22 ' A' ' 53' ' ' THR . 4.5 mp -137.79 133.6 45.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.415 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -112.08 152.82 27.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.646 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 56' ' ' PHE . 19.2 m-85 -120.63 138.03 27.02 Favored Pre-proline 0 CA--C 1.53 0.206 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.332 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.49 ' C ' ' H ' ' A' ' 59' ' ' ASP . 82.3 Cg_endo -77.78 131.89 11.55 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 C-N-CA 122.466 2.111 . . . . 0.0 111.99 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.7 p -55.1 -7.34 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.258 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.49 ' H ' ' C ' ' A' ' 57' ' ' PRO . 8.5 t70 -93.7 22.84 5.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.578 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.479 ' CG ' ' C ' ' A' ' 59' ' ' ASP . 1.2 m-85 72.53 151.94 0.14 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.521 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.486 ' C ' ' N ' ' A' ' 63' ' ' LYS . 4.1 Cg_endo -47.96 -20.46 2.07 Favored 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 122.442 2.095 . . . . 0.0 111.877 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -47.45 -15.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 109.977 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.486 ' N ' ' C ' ' A' ' 61' ' ' PRO . 10.5 mptt -109.91 134.33 20.7 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.886 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -52.33 117.6 3.78 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.007 1.805 . . . . 0.0 111.909 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -77.78 172.02 16.39 Favored 'Trans proline' 0 N--CA 1.491 1.324 0 C-N-CA 122.321 2.014 . . . . 0.0 112.13 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -110.21 128.02 55.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.597 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.5 m -104.51 115.98 47.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.343 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -105.15 161.67 14.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.688 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.98 111.47 13.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.38 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 70' ' ' THR . 6.4 p -64.47 -48.06 76.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.572 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.4 m -85.14 136.41 33.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.0 mtp180 -80.09 114.18 18.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.588 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.454 ' CG2' HG21 ' A' ' 78' ' ' ILE . 15.8 tt -112.12 126.94 69.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.262 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -76.57 96.48 4.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.67 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.459 ' O ' ' O ' ' A' ' 78' ' ' ILE . 1.2 t-80 -153.57 125.4 3.76 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.054 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -43.86 -46.88 10.42 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.482 2.121 . . . . 0.0 113.038 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.566 HD22 ' N ' ' A' ' 78' ' ' ILE . 0.4 OUTLIER -72.89 -7.87 52.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.63 -178.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.566 ' N ' HD22 ' A' ' 77' ' ' ASN . 30.6 mt -129.01 126.3 64.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 120.927 0.394 . . . . 0.0 110.918 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -90.68 166.06 13.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.587 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.4 p -73.84 -22.67 59.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.457 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -72.94 -10.12 59.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.521 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.94 23.38 13.47 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.9 m -86.12 136.77 33.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.788 0.328 . . . . 0.0 110.511 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 15.1 mt -137.44 128.99 40.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.581 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 6.1 p -104.24 113.11 26.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.646 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 41.7 mt -136.16 150.58 49.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.482 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.41 ' C ' ' N ' ' A' ' 89' ' ' LEU . 44.0 t0 -69.04 -52.3 30.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.989 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.739 HD12 ' N ' ' A' ' 89' ' ' LEU . 2.6 pp -53.19 -11.96 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.748 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.739 ' N ' HD12 ' A' ' 88' ' ' ILE . 0.8 OUTLIER -79.03 -36.94 40.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.464 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 71.4 mtm180 -73.16 -164.9 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.792 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.479 ' C ' ' H ' ' A' ' 93' ' ' TRP . 49.5 m -41.75 -27.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.798 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -58.25 -4.02 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.523 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.595 ' CD2' HD21 ' A' ' 97' ' ' LEU . 40.4 t-105 -73.14 102.93 3.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.503 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.485 ' N ' HD23 ' A' ' 97' ' ' LEU . 2.7 m -86.53 118.84 70.88 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.565 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -49.52 -7.71 0.09 OUTLIER 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 122.35 2.034 . . . . 0.0 112.309 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.468 ' H ' ' C ' ' A' ' 94' ' ' SER . . . -114.72 28.95 8.36 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.328 -179.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.718 ' C ' HD12 ' A' ' 97' ' ' LEU . 3.6 pp -104.03 152.03 22.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.718 0.294 . . . . 0.0 110.314 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.2 t -101.94 157.3 16.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.97 0.414 . . . . 0.0 110.895 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.519 ' N ' ' OE2' ' A' ' 9' ' ' GLU . 1.6 tp -70.52 -22.36 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.719 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.8 m -52.97 -49.95 65.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.255 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.529 ' HZ2' HG21 ' A' ' 88' ' ' ILE . 2.1 pttp -63.72 -36.61 84.41 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.023 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 37.5 t -52.94 -33.84 19.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.655 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.1 mt -67.07 -45.47 77.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.584 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.539 HD22 ' N ' ' A' ' 104' ' ' LEU . 3.7 mm? -60.02 -38.0 81.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.424 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.22 -48.31 62.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.351 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 72.4 mt -71.03 -53.99 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.525 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 20.0 t -50.97 -38.76 52.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.582 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.3 m -76.54 -30.13 56.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.57 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.1 tp -61.81 -36.07 80.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.526 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 40.7 mt -70.63 -32.07 69.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.354 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 10.7 t -75.03 -10.42 59.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.588 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 113' ' ' PRO . 40.2 t0 -157.6 72.22 4.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.44 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.426 ' O ' ' O ' ' A' ' 112' ' ' ASP . 78.1 Cg_exo -47.18 -176.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.852 2.368 . . . . 0.0 112.276 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -145.04 76.85 13.41 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.539 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -77.72 67.96 7.78 Favored 'Trans proline' 0 C--N 1.307 -1.606 0 C-N-CA 122.626 2.217 . . . . 0.0 111.975 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.423 ' O ' ' OD1' ' A' ' 117' ' ' ASP . 5.1 m-20 -154.66 -33.13 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.375 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 116' ' ' ASP . 2.5 m-20 -139.02 57.63 11.27 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.419 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -72.19 -175.58 1.8 Allowed 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.733 2.289 . . . . 0.0 112.049 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.3 tp -122.82 3.69 9.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.224 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.5 t -146.4 83.17 8.51 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.438 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -47.1 -24.77 3.66 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.653 2.235 . . . . 0.0 112.355 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -69.95 -52.06 27.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.548 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 83.1 mt -68.06 -41.89 84.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.499 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.28 -39.98 76.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.571 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 -54.89 -37.1 65.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.491 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.431 ' O ' ' O ' ' A' ' 130' ' ' ASP . 15.6 mm -69.34 -56.05 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.786 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -60.04 -31.51 70.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.205 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 18.0 tptt -50.62 -68.08 0.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.194 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 8.0 p -107.1 -42.18 4.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.636 0.255 . . . . 0.0 111.254 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 126' ' ' ILE . 3.0 m-20 -82.98 83.47 7.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.738 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 29.3 mmm-85 -91.36 -46.43 8.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.514 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -57.12 -41.48 79.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.569 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -75.26 -30.25 60.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.615 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -47.99 -46.19 32.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.547 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.459 HD22 ' N ' ' A' ' 135' ' ' ASN . 2.4 m120 -60.74 -37.18 80.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.581 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -53.88 -48.67 69.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.595 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.632 HD12 ' N ' ' A' ' 137' ' ' ILE . 1.5 mp -69.12 -30.8 47.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.307 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.7 m -72.19 -62.96 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.995 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -25.76 31.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.806 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -72.35 -50.16 28.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.288 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' TRP . . . . . 0.438 ' O ' ' N ' ' A' ' 145' ' ' TYR . 11.4 m95 -68.62 -16.18 63.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.653 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.441 ' HA ' ' HB3' ' A' ' 146' ' ' ALA . 25.7 m -65.57 -39.23 91.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.9 0.381 . . . . 0.0 110.844 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -76.5 -31.89 57.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.18 -0.464 . . . . 0.0 112.088 -179.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.406 ' HG2' ' H ' ' A' ' 144' ' ' LYS . 26.8 pttt -101.27 -18.76 15.96 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 141' ' ' TRP . 41.6 m-85 -128.6 19.43 6.21 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.87 -179.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 142' ' ' THR . . . -158.85 22.6 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.016 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 17.1 mmt . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.368 179.625 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.4 ttm . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -160.18 138.11 9.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.37 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.778 HD13 ' H ' ' B' ' 3' ' ' ILE . 0.1 OUTLIER -147.57 166.72 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.658 179.802 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -93.9 146.79 23.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 98.8 t -123.3 102.86 12.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.334 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.474 ' NZ ' ' HB2' ' A' ' 19' ' ' ALA . 16.7 tptm -83.23 142.33 31.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.504 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.4 m -121.34 160.23 24.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.416 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 tp -65.55 -23.22 66.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.55 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 34.3 p -79.72 1.94 24.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.578 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.62 3.38 86.32 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 25.7 tptt -75.66 135.39 40.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.937 0.399 . . . . 0.0 110.546 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 5.2 m -134.05 107.83 7.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.859 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 13.0 tt -131.53 144.41 37.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.748 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.413 ' O ' ' NZ ' ' B' ' 33' ' ' LYS . 43.1 p -75.69 146.27 40.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.439 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.728 HD13 ' N ' ' B' ' 16' ' ' GLU . 0.6 OUTLIER -122.15 124.72 44.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.057 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.728 ' N ' HD13 ' B' ' 15' ' ' LEU . 48.6 mt-10 -84.51 125.63 32.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.845 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.704 HG22 ' N ' ' B' ' 18' ' ' GLU . 13.6 p -149.5 174.43 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.808 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.704 ' N ' HG22 ' B' ' 17' ' ' VAL . 36.8 mt-10 -131.93 142.77 46.36 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.252 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -45.15 -34.24 9.26 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 122.483 2.122 . . . . 0.0 112.726 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 15.5 p -84.76 7.07 21.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.047 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -82.83 137.88 34.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.529 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 4.0 m -94.14 140.77 29.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.45 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.1 mm -42.54 -50.17 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.637 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -48.66 -37.5 18.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.808 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.441 ' O ' ' HB3' ' B' ' 28' ' ' ALA . 1.2 m120 -79.54 -42.39 25.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.7 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 38.4 t -53.07 -43.81 49.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.562 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.748 ' N ' ' HZ3' ' B' ' 27' ' ' LYS . 0.1 OUTLIER -61.22 -31.53 71.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.888 0.375 . . . . 0.0 110.136 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' B' ' 25' ' ' ASN . . . -64.48 -27.92 69.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.03 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -54.55 13.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.447 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 84.1 mt -56.86 -41.8 76.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.593 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.539 ' O ' ' N ' ' B' ' 35' ' ' GLY . 32.4 mt-30 -50.88 -50.79 56.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.628 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -75.55 -28.95 59.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.06 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.413 ' NZ ' ' O ' ' B' ' 14' ' ' THR . 21.1 tttt -72.64 -16.72 61.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.209 -179.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -129.09 -37.18 1.7 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.749 0.309 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . 100.97 15.02 29.71 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 34.1 mt -95.49 112.35 58.54 Favored Pre-proline 0 C--N 1.329 -0.293 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -51.47 154.0 9.43 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.051 1.834 . . . . 0.0 112.169 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -73.43 -7.84 20.92 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.907 2.405 . . . . 0.0 112.412 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' B' ' 39' ' ' ASP . 56.8 t0 -60.35 -16.4 34.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.571 -179.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -130.21 -29.03 2.07 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.647 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -70.92 124.72 24.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.068 0.461 . . . . 0.0 111.433 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.435 HH11 ' HB3' ' B' ' 42' ' ' ARG . 5.8 ptm85 -145.15 123.76 12.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.458 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 tp -86.01 149.05 25.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.167 0.508 . . . . 0.0 111.396 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 16.4 mt -141.57 136.74 31.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.253 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -112.64 120.86 42.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.388 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.43 29.43 15.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.417 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.1 -19.84 36.5 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -87.96 128.68 35.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.796 0.331 . . . . 0.0 110.623 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -60.51 137.89 58.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.55 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.3 mt -82.09 125.67 31.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.544 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -53.13 117.2 2.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.307 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -58.4 -39.46 79.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.904 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.55 59.35 2.57 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.452 -0.659 . . . . 0.0 111.452 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 8.2 mmt85 -148.15 164.09 34.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.788 0.328 . . . . 0.0 110.32 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 22.3 p -116.12 152.02 34.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.44 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.531 HD22 ' N ' ' B' ' 56' ' ' LEU . 3.9 mm? -57.03 -32.41 66.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.403 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 7.4 t -53.88 -30.61 46.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.367 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -84.9 -43.07 14.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.427 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -75.88 -12.55 60.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.19 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' B' ' 56' ' ' LEU . 7.8 t-20 70.35 -81.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.72 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.437 ' C ' ' O ' ' B' ' 60' ' ' ASN . 68.4 mt 35.05 87.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.694 0.283 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -68.94 176.46 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.697 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -58.01 158.4 6.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.546 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 65.04 47.47 2.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.666 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.0 m -104.98 149.29 25.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.541 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.9 m -107.4 108.97 20.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.611 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 10.8 mt -105.5 150.28 25.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.36 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -95.97 141.97 28.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.921 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.555 HD23 ' N ' ' B' ' 70' ' ' VAL . 2.4 tt -129.46 111.71 13.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.223 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.555 ' N ' HD23 ' B' ' 69' ' ' LEU . 0.3 OUTLIER -119.43 138.35 50.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.397 179.832 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.515 ' N ' HD12 ' B' ' 71' ' ' LEU . 7.8 mp -97.07 121.92 39.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.582 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -87.04 85.9 7.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.259 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.547 ' H ' HD12 ' B' ' 73' ' ' LEU . 3.8 mp -52.69 121.99 8.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.72 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -146.04 114.58 6.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.212 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -160.37 -30.58 0.02 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.741 0 CA-C-O 117.952 -1.471 . . . . 0.0 110.93 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 mt -51.84 -47.94 64.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.7 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.677 ' CD ' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -59.46 -36.23 75.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.744 -179.778 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 74.4 mtt-85 -75.4 -50.62 15.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.841 0.353 . . . . 0.0 110.433 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 78.6 mt -52.88 -38.98 29.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.572 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -60.92 -25.43 66.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.75 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -64.0 -49.88 70.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.589 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -57.53 -42.09 82.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.527 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.589 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -58.19 -31.55 67.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.348 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.2 m -59.88 -26.98 66.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.455 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -73.49 -48.73 31.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.536 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.4 mt -70.59 -25.15 62.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.471 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.41 -16.88 60.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.512 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -93.92 -51.35 4.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.424 ' O ' ' OD2' ' A' ' 16' ' ' ASP . 4.3 p-10 -167.63 90.33 0.7 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.818 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -54.1 158.95 8.33 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 122.557 2.172 . . . . 0.0 111.876 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' A' ' 21' ' ' CYS . 54.6 Cg_endo -71.11 137.87 32.43 Favored 'Trans proline' 0 C--N 1.309 -1.528 0 C-N-CA 122.585 2.19 . . . . 0.0 112.002 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.459 ' O ' HD12 ' B' ' 8' ' ' LEU . . . -75.04 -44.0 50.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.683 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -57.56 -54.51 45.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.674 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.433 ' O ' ' O ' ' A' ' 18' ' ' PRO . 10.8 p -113.64 -166.13 1.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.615 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.8 m -157.32 155.71 31.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.491 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -171.81 161.87 6.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.803 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.49 135.07 1.87 Allowed Glycine 0 CA--C 1.531 1.077 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.68 147.81 31.94 Favored 'Trans proline' 0 N--CA 1.492 1.421 0 C-N-CA 122.33 2.02 . . . . 0.0 112.153 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.2 m -92.01 133.73 32.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.37 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.455 ' C ' ' H ' ' A' ' 29' ' ' ASP . . . -57.04 -178.38 0.49 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.432 ' N ' ' OD1' ' A' ' 28' ' ' ASP . 0.6 OUTLIER 69.35 -10.44 0.55 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.694 0.283 . . . . 0.0 110.798 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.455 ' H ' ' C ' ' A' ' 27' ' ' GLY . 8.6 t70 -172.7 116.28 0.31 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.843 0.354 . . . . 0.0 110.853 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.95 -7.37 58.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.402 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.454 ' C ' ' HD1' ' A' ' 32' ' ' HIS . 6.3 m-85 -89.39 24.48 2.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.49 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.454 ' HD1' ' C ' ' A' ' 31' ' ' PHE . 32.0 m80 -144.25 120.88 11.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.408 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -120.86 163.15 18.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.508 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 -132.76 174.2 10.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.475 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.703 ' HB3' ' HB2' ' A' ' 52' ' ' LEU . . . -162.78 124.04 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.531 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.9 m -113.33 124.91 53.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.478 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 38' ' ' MET . 67.3 mt -130.52 157.19 42.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.499 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.499 ' SD ' ' O ' ' A' ' 38' ' ' MET . 3.5 ppp? -133.52 130.3 38.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.434 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.593 ' O ' ' O ' ' A' ' 40' ' ' PRO . . . -48.26 128.34 17.97 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.593 ' O ' ' O ' ' A' ' 39' ' ' GLY . 89.9 Cg_exo -40.59 -116.73 0.0 OUTLIER 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 122.852 2.368 . . . . 0.0 112.896 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -128.61 -60.3 1.11 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.65 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -81.5 28.74 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.657 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.53 155.11 38.24 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.352 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.44 ' C ' ' H ' ' A' ' 46' ' ' GLN . 55.8 Cg_endo -71.22 -53.96 0.17 Allowed 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 122.521 2.147 . . . . 0.0 111.977 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -77.32 22.4 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.418 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.525 HE21 ' C ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -64.92 150.89 47.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.505 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.497 ' O ' ' SD ' ' A' ' 147' ' ' MET . . . 83.36 21.26 58.84 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -136.99 161.64 25.16 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -108.02 152.67 9.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.767 0.318 . . . . 0.0 110.502 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -118.48 168.89 10.24 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.64 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -140.07 149.39 43.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.394 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.703 ' HB2' ' HB3' ' A' ' 35' ' ' ALA . 2.9 mt -147.71 163.0 38.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.406 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.14 106.73 3.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.333 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.1 mp -101.47 106.57 19.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -80.04 154.88 27.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.637 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.603 ' CE2' ' CE2' ' A' ' 60' ' ' TYR . 19.6 m-85 -122.71 105.74 35.26 Favored Pre-proline 0 CA--C 1.531 0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.598 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -75.29 157.02 41.75 Favored 'Trans proline' 0 C--N 1.313 -1.316 0 C-N-CA 122.074 1.849 . . . . 0.0 111.855 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -48.97 -28.58 3.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.94 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -101.47 23.29 11.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.084 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.603 ' CE2' ' CE2' ' A' ' 56' ' ' PHE . 18.4 t80 -44.3 -53.15 14.74 Favored Pre-proline 0 C--N 1.328 -0.362 0 C-N-CA 120.979 -0.289 . . . . 0.0 111.246 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 60' ' ' TYR . 11.2 Cg_endo -54.13 -13.67 5.19 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 122.28 1.987 . . . . 0.0 112.708 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -119.11 -49.5 2.4 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 121.031 -0.268 . . . . 0.0 111.093 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.491 ' NZ ' ' CB ' ' A' ' 63' ' ' LYS . 7.9 mtmp? -97.77 148.08 33.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.83 159.44 52.8 Favored 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 122.43 2.087 . . . . 0.0 111.869 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.91 171.64 17.77 Favored 'Trans proline' 0 C--N 1.308 -1.595 0 C-N-CA 122.701 2.267 . . . . 0.0 112.058 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -108.93 86.14 2.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.147 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.0 p -81.15 148.1 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.76 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -153.7 120.75 5.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.535 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.528 ' CZ ' HD11 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -74.51 108.85 7.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.358 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.6 p -62.13 -31.52 72.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.48 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.3 p -89.7 124.85 34.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.555 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.528 ' NH2' ' O ' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -72.78 88.93 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.259 179.842 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 16.2 tt -97.95 144.65 10.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.455 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.482 ' CD2' HG21 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -98.92 101.98 13.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.531 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.521 ' CD2' ' OH ' ' A' ' 134' ' ' TYR . 1.1 t-80 -146.69 132.42 9.34 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.132 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -43.11 -52.11 5.08 Favored 'Trans proline' 0 C--N 1.312 -1.372 0 C-N-CA 122.449 2.099 . . . . 0.0 112.618 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' A' ' 85' ' ' CYS . 8.0 t-20 -76.09 -0.61 22.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.361 -179.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.552 HG22 ' N ' ' A' ' 79' ' ' ASN . 5.3 mm -126.04 166.11 22.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.805 0.336 . . . . 0.0 110.369 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.552 ' N ' HG22 ' A' ' 78' ' ' ILE . 54.0 p30 -144.55 -176.27 4.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.563 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.6 m -85.08 -18.26 34.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.676 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.738 ' H ' HD22 ' A' ' 81' ' ' ASN . 0.6 OUTLIER -73.16 -15.71 61.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.591 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.468 ' O ' HD12 ' A' ' 84' ' ' ILE . . . 88.05 11.1 68.0 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.401 ' HB3' HD21 ' A' ' 79' ' ' ASN . 5.6 t -86.98 109.47 19.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.73 0.3 . . . . 0.0 110.596 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.468 HD12 ' O ' ' A' ' 82' ' ' GLY . 5.2 mp -98.07 133.76 38.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.538 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.539 ' HB2' HD23 ' A' ' 119' ' ' LEU . 11.7 t -107.87 117.02 33.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.606 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 mt -145.29 162.74 36.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.219 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -64.0 -52.08 61.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.658 HD12 ' N ' ' A' ' 89' ' ' LEU . 2.7 pp -62.97 -11.7 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.76 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.658 ' N ' HD12 ' A' ' 88' ' ' ILE . 0.2 OUTLIER -93.11 24.6 3.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.991 0.424 . . . . 0.0 109.881 179.5 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' A' ' 92' ' ' GLN . 24.3 mtp85 -135.7 -159.97 1.01 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.393 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.545 ' C ' ' H ' ' A' ' 93' ' ' TRP . 8.3 t -38.07 -24.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.825 0.345 . . . . 0.0 110.942 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.535 ' N ' ' O ' ' A' ' 90' ' ' ARG . 33.9 mt-30 -71.93 29.03 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.48 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.545 ' H ' ' C ' ' A' ' 91' ' ' SER . 72.8 t-105 -92.81 110.26 21.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.58 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.55 ' O ' ' N ' ' A' ' 96' ' ' ALA . 1.2 m -94.88 121.51 62.53 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.458 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -45.7 -9.39 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 122.151 1.901 . . . . 0.0 112.3 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 94' ' ' SER . . . -143.4 65.76 1.32 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.995 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.485 ' H ' ' HG ' ' A' ' 97' ' ' LEU . 2.6 pp -104.08 152.06 22.53 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.475 179.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.55 ' O ' ' N ' ' A' ' 100' ' ' SER . 12.8 p -82.61 93.85 7.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.072 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 18.5 tt -38.53 -23.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.55 ' N ' ' O ' ' A' ' 98' ' ' THR . 40.7 t -53.34 -36.27 61.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.651 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.423 ' NZ ' ' CG2' ' A' ' 88' ' ' ILE . 3.9 ptmm? -72.07 -35.84 69.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.721 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 88.4 t -57.91 -50.23 78.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.479 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 103' ' ' LEU . 6.8 mp -66.81 -46.1 76.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.387 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.56 -40.32 91.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.414 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.6 m -50.19 -39.96 45.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.536 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 71.5 mt -60.19 -48.21 89.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.427 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 95.3 m -52.88 -37.24 60.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.541 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.1 t -73.56 -28.06 61.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.559 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 112' ' ' ASP . 6.3 tt -76.74 -43.41 37.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.489 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 96.1 mt -54.31 -45.86 72.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.496 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 10.1 t -82.9 5.06 23.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.582 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 109' ' ' LEU . 33.5 t0 -158.12 104.3 1.72 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.479 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -78.88 -174.17 2.17 Favored 'Trans proline' 0 C--N 1.313 -1.321 0 C-N-CA 122.289 1.993 . . . . 0.0 112.139 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -156.19 106.96 2.07 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.501 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.453 ' O ' ' CB ' ' A' ' 116' ' ' ASP . 72.4 Cg_endo -79.53 -158.0 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.346 0 C-N-CA 122.304 2.003 . . . . 0.0 111.984 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 115' ' ' PRO . 7.9 t70 81.11 73.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.992 0.425 . . . . 0.0 110.462 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 41.37 68.12 2.69 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_exo -62.92 -149.44 0.02 OUTLIER 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.743 2.296 . . . . 0.0 111.825 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.539 HD23 ' HB2' ' A' ' 85' ' ' CYS . 0.2 OUTLIER -83.97 -27.37 28.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.069 179.699 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.0 m -130.99 77.76 74.65 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.475 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -46.3 -17.75 0.37 Allowed 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.737 2.291 . . . . 0.0 112.347 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -61.85 -49.16 77.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.624 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.401 HD13 HG21 ' A' ' 123' ' ' ILE . 18.6 mt -73.51 -29.07 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.543 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.03 -45.93 82.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.712 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -54.96 -42.05 71.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.646 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 24.6 mt -70.81 -47.57 62.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.478 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -64.8 -31.18 72.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -50.51 -68.07 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.024 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.8 p -112.47 -42.16 3.72 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.647 0.261 . . . . 0.0 111.171 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -79.59 61.2 3.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.717 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -73.59 -20.67 60.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.578 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.5 -34.0 77.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.543 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 136' ' ' ARG . 20.8 ttmt -76.25 -50.78 13.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.49 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.521 ' OH ' ' CD2' ' A' ' 75' ' ' HIS . 71.8 t80 -47.66 -27.37 1.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.699 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.04 -46.29 65.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.791 -179.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.492 ' HG3' ' N ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -71.49 -33.56 69.37 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.135 -179.242 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.492 ' N ' ' HG3' ' A' ' 136' ' ' ARG . 11.0 mt -67.2 -30.83 50.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.868 0.366 . . . . 0.0 110.653 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 7.4 t -68.82 -55.02 12.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.315 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 5.4 ptt-85 -68.09 -24.87 65.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.2 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -68.19 -50.08 56.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.977 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -71.74 1.15 7.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.988 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.649 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 33.8 m -76.49 -60.51 2.31 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.161 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.416 ' O ' ' O ' ' A' ' 147' ' ' MET . 17.6 tt0 -65.8 -31.52 72.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.061 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 22.9 tttp -52.09 -48.04 64.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.339 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -133.28 -33.28 1.13 Allowed 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 142' ' ' THR . . . -67.55 -24.68 65.56 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.907 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . 0.497 ' SD ' ' O ' ' A' ' 47' ' ' GLY . 69.8 mtm . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.41 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 46.3 ttp . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -98.25 142.09 30.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.446 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.7 pt -140.15 145.08 26.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.427 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.456 ' CZ ' HG23 ' B' ' 14' ' ' THR . 30.9 m-85 -93.32 121.82 35.09 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.526 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.451 ' CG1' HD13 ' B' ' 69' ' ' LEU . 21.8 t -98.94 106.1 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.521 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -87.25 128.3 35.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.484 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 43.5 p -92.89 -175.88 4.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.81 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.459 HD12 ' O ' ' A' ' 19' ' ' ALA . 3.6 tp -75.97 5.09 7.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.575 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 18.1 p -123.89 9.8 8.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.626 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' B' ' 12' ' ' THR . . . 87.36 -26.35 7.16 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.76 94.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.788 0.327 . . . . 0.0 110.701 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.477 HG23 ' O ' ' B' ' 12' ' ' THR . 7.1 t -103.45 128.68 50.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.558 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 11.7 pt -138.54 143.97 31.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.458 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.456 HG23 ' CZ ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -74.97 143.22 43.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.424 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.421 HD12 HG21 ' B' ' 5' ' ' VAL . 0.5 OUTLIER -131.66 138.94 48.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.318 -179.877 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -95.8 120.19 35.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.558 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 6.9 m -148.16 144.63 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.535 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' B' ' 20' ' ' SER . 54.4 mm-40 -77.82 121.92 84.86 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.328 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -45.25 -12.72 0.06 OUTLIER 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 122.205 1.936 . . . . 0.0 112.318 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.506 ' N ' ' O ' ' B' ' 18' ' ' GLU . 15.9 p -103.09 -17.33 15.45 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.109 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' B' ' 18' ' ' GLU . 0.8 OUTLIER -65.83 129.93 41.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 0.0 110.169 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.4 p -76.12 145.27 40.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.525 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.537 HD13 ' HB3' ' B' ' 50' ' ' LEU . 9.7 mt -46.74 -33.94 2.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.076 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.408 ' O ' ' OE2' ' B' ' 24' ' ' GLU . 1.8 tm-20 -48.63 -34.97 12.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 110.572 -179.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.412 HD22 ' C ' ' B' ' 25' ' ' ASN . 0.3 OUTLIER -85.0 -29.91 24.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.541 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 89.7 t -59.47 -47.35 91.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.616 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.447 ' HZ2' ' HB3' ' B' ' 27' ' ' LYS . 0.3 OUTLIER -51.11 -33.27 25.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.422 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.77 -33.02 58.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.411 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -74.3 -52.94 10.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.53 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 16.3 tt -59.47 -31.83 47.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.132 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' B' ' 35' ' ' GLY . 4.3 tm0? -58.04 -54.14 50.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.53 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.411 ' OD2' ' OE1' ' B' ' 31' ' ' GLN . 9.2 m-20 -67.76 -28.95 68.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.76 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -66.06 0.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.974 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.455 ' HB2' HD11 ' B' ' 36' ' ' ILE . 39.9 mt-10 -81.26 -37.19 28.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.881 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . 113.6 -21.46 16.63 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.655 HD13 ' NE2' ' B' ' 41' ' ' GLN . 0.6 OUTLIER -61.91 143.7 94.29 Favored Pre-proline 0 C--N 1.33 -0.268 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.087 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -70.75 161.71 45.13 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.294 1.996 . . . . 0.0 112.055 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -62.69 -42.03 27.98 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.485 2.123 . . . . 0.0 112.277 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -54.89 -32.77 61.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.259 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -90.69 -1.89 57.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.064 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.655 ' NE2' HD13 ' B' ' 36' ' ' ILE . 73.6 mm-40 -94.39 126.0 39.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.941 0.4 . . . . 0.0 111.01 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.415 HH21 HE21 ' B' ' 49' ' ' GLN . 50.6 ttt85 -144.62 99.67 3.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.758 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.522 HD12 ' H ' ' B' ' 43' ' ' LEU . 1.3 mp -85.94 131.74 34.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.377 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.482 HG22 ' N ' ' B' ' 45' ' ' PHE . 48.3 mm -124.26 157.87 31.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.063 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.482 ' N ' HG22 ' B' ' 44' ' ' ILE . 28.0 t80 -160.05 130.5 5.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.846 0.355 . . . . 0.0 110.76 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 45.77 29.13 0.65 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.754 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.46 28.13 70.15 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' B' ' 45' ' ' PHE . 29.8 tttp -122.29 116.97 25.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.77 0.319 . . . . 0.0 110.42 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.415 HE21 HH21 ' B' ' 42' ' ' ARG . 85.5 mt-30 -59.34 119.74 8.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.538 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.537 ' HB3' HD13 ' B' ' 23' ' ' ILE . 6.7 mp -66.12 85.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.506 ' O ' HD12 ' B' ' 23' ' ' ILE . 28.4 mt-10 -48.06 127.55 12.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.644 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -55.01 -30.99 60.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.086 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.64 41.96 2.6 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.366 -0.693 . . . . 0.0 111.366 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -146.87 163.84 34.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.845 0.355 . . . . 0.0 110.405 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.508 ' O ' ' CE2' ' B' ' 59' ' ' TYR . 3.2 p -99.8 177.07 5.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.135 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.588 ' N ' HD12 ' B' ' 56' ' ' LEU . 8.2 mp -80.05 -49.26 12.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.828 0.347 . . . . 0.0 110.532 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 29.4 t -53.92 -28.37 36.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.743 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -50.57 -44.98 56.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.268 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.526 ' OH ' HD11 ' B' ' 23' ' ' ILE . 0.7 OUTLIER -86.68 -41.54 14.11 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.847 -179.625 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . 0.474 ' CG ' ' N ' ' B' ' 61' ' ' ILE . 5.4 t-20 172.23 -95.75 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.365 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.54 HD13 ' O ' ' B' ' 56' ' ' LEU . 5.1 mp 39.29 87.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.628 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.418 ' O ' ' O ' ' B' ' 63' ' ' LYS . 6.2 pt20 -102.37 62.51 0.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.574 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' B' ' 62' ' ' GLN . 16.7 ttpt 60.28 137.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.713 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 50.78 48.81 22.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.525 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.0 t -103.37 158.42 16.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.551 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 7.2 m -97.82 139.92 32.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.522 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 4.8 mp -131.93 146.48 52.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.512 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -93.18 144.44 25.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.7 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.451 HD13 ' CG1' ' B' ' 5' ' ' VAL . 2.7 tp -125.69 110.06 13.32 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.389 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 5.0 t -103.92 119.35 52.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.36 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.6 mp -84.6 125.72 32.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.789 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.45 HH11 ' CB ' ' B' ' 72' ' ' ARG . 0.0 OUTLIER -81.31 128.58 33.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.174 179.576 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 12.4 mt -113.51 133.44 55.23 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.732 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 41.9 mtt85 -74.01 -178.25 3.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.437 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . 0.445 ' O ' ' NE2' ' A' ' 46' ' ' GLN . . . 61.31 176.8 2.06 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.719 0 CA-C-O 118.033 -1.426 . . . . 0.0 110.88 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 39.4 mt -61.84 -19.91 63.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.614 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.469 ' HD2' ' H ' ' A' ' 4' ' ' LYS . 1.5 mptp? -70.6 -49.53 46.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.61 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.413 ' H ' ' HD2' ' A' ' 5' ' ' ARG . 0.9 OUTLIER -74.98 -44.59 47.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.64 -179.841 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 84.0 mt -53.18 -42.72 47.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.575 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.422 ' O ' ' OD1' ' A' ' 7' ' ' ASN . 57.1 t-20 -67.92 -19.89 65.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.577 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -60.98 -47.03 88.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.556 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -65.33 -43.06 92.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.555 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 tp -49.96 -28.09 6.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.381 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.7 t -60.11 -49.13 78.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.447 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -71.01 -22.06 62.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.496 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 tp -77.13 -29.11 54.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.642 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.86 -18.47 32.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.729 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.26 -54.27 2.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.589 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -135.18 82.87 40.51 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.812 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -80.34 164.38 21.67 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.487 2.124 . . . . 0.0 111.867 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -51.41 127.98 24.15 Favored 'Trans proline' 0 C--N 1.31 -1.474 0 C-N-CA 122.372 2.048 . . . . 0.0 111.99 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.06 -43.92 50.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.608 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -77.21 -56.1 4.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.623 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.0 m -93.99 -155.91 0.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.711 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.0 m -170.45 167.26 8.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.487 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -157.33 175.99 13.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.597 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.25 119.83 0.51 Allowed Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.671 -0.971 . . . . 0.0 110.671 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -44.77 142.65 4.86 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 122.163 1.909 . . . . 0.0 112.097 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.418 ' C ' ' N ' ' A' ' 28' ' ' ASP . 21.2 t -77.23 143.16 13.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.552 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.69 -13.03 0.74 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.418 ' N ' ' C ' ' A' ' 26' ' ' VAL . 13.7 t70 -71.13 -63.22 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 110.379 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -170.16 176.79 4.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.399 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.429 ' O ' ' CD1' ' A' ' 33' ' ' TRP . 11.9 mtp -75.97 -18.7 59.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.71 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -63.71 -44.47 93.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.293 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.401 ' NE2' ' CD2' ' A' ' 55' ' ' HIS . 69.3 m80 -99.0 121.14 40.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.337 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.429 ' CD1' ' O ' ' A' ' 30' ' ' MET . 7.3 m95 -111.51 171.33 7.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.967 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -131.86 175.04 9.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.525 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -157.54 161.02 38.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.568 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.2 m -146.08 123.91 11.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.473 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 95.1 mt -135.33 142.46 39.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.729 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.3 ttt -103.17 145.19 30.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.147 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.56 143.61 46.39 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.31 -168.96 0.42 Allowed 'Trans proline' 0 N--CA 1.493 1.474 0 C-N-CA 122.494 2.13 . . . . 0.0 112.047 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -96.69 32.68 2.01 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.551 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -155.19 43.7 0.47 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.616 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.5 m -157.09 126.86 3.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.32 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.491 ' C ' ' H ' ' A' ' 46' ' ' GLN . 85.7 Cg_exo -41.44 -36.39 2.82 Favored 'Trans proline' 0 N--CA 1.491 1.328 0 C-N-CA 122.284 1.989 . . . . 0.0 112.329 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -60.63 -0.43 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.742 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.491 ' H ' ' C ' ' A' ' 44' ' ' PRO . 10.2 tt0 -46.11 131.62 9.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.455 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.437 ' HA2' ' H ' ' B' ' 73' ' ' LEU . . . 86.03 40.4 7.56 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -147.03 172.22 27.55 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.8 t -129.51 138.44 54.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.799 0.333 . . . . 0.0 110.477 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -104.72 159.23 15.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.711 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -140.09 131.62 27.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.17 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.533 HD21 ' CE2' ' A' ' 69' ' ' PHE . 3.3 mp -137.36 148.14 46.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.74 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.8 m -112.87 141.63 46.46 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.254 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.9 mp -118.9 119.48 61.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.624 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.401 ' CD2' ' NE2' ' A' ' 32' ' ' HIS . 12.1 t-80 -104.58 121.5 43.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.447 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -95.9 150.05 36.81 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.393 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -59.23 145.37 98.0 Favored 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 122.034 1.823 . . . . 0.0 111.282 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.3 p -81.12 9.13 7.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.114 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.651 ' O ' ' CG ' ' A' ' 60' ' ' TYR . 23.5 m-20 -117.76 -13.84 10.15 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.437 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.651 ' CG ' ' O ' ' A' ' 59' ' ' ASP . 2.2 m-85 152.52 157.94 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.626 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.62 7.53 3.45 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.543 2.162 . . . . 0.0 113.232 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -87.87 -25.98 23.0 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.319 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -73.94 145.31 83.66 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.246 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -52.45 119.46 5.92 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.196 1.931 . . . . 0.0 112.087 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -79.12 172.07 15.37 Favored 'Trans proline' 0 N--CA 1.491 1.33 0 C-N-CA 122.377 2.051 . . . . 0.0 112.022 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -125.78 96.7 4.86 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.725 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.1 t -91.24 148.1 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.493 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -146.76 145.44 29.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.514 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.533 ' CE2' HD21 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -86.05 114.86 23.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.386 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.6 p -74.68 -48.1 27.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.822 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.8 m -70.39 157.43 37.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.572 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -82.27 93.09 7.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.454 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.1 tp -103.18 152.72 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.335 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -135.61 78.49 1.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.47 ' O ' ' O ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -124.17 147.03 53.33 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.317 -179.834 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -44.24 -63.67 0.31 Allowed 'Trans proline' 0 C--N 1.311 -1.408 0 C-N-CA 122.471 2.114 . . . . 0.0 112.692 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -77.69 8.95 3.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.583 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.47 ' O ' ' O ' ' A' ' 75' ' ' HIS . 6.4 mm -132.75 115.88 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 120.944 0.402 . . . . 0.0 110.555 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.731 HD22 ' H ' ' A' ' 81' ' ' ASN . 0.2 OUTLIER -90.57 148.74 22.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.478 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.721 ' N ' HD22 ' A' ' 79' ' ' ASN . 4.1 m -76.71 -1.52 28.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.579 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.731 ' H ' HD22 ' A' ' 79' ' ' ASN . 0.5 OUTLIER -86.94 -7.79 57.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.653 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.55 -2.84 42.57 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.7 m -77.36 94.23 4.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.821 0.343 . . . . 0.0 110.598 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 55.7 mt -99.87 108.44 22.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.503 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.412 ' SG ' HD23 ' A' ' 119' ' ' LEU . 11.9 t -70.11 117.27 11.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.753 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.1 mt -145.7 145.51 30.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.507 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -69.14 -52.02 32.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.954 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.507 HD13 ' H ' ' A' ' 88' ' ' ILE . 0.1 OUTLIER -52.71 -21.09 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.719 -179.631 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.57 24.9 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.896 0.379 . . . . 0.0 110.306 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 61.5 mtt-85 -139.25 -103.01 0.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.483 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.497 ' C ' ' H ' ' A' ' 93' ' ' TRP . 10.2 t -98.06 -28.02 13.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.862 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -73.35 29.03 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.65 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.497 ' H ' ' C ' ' A' ' 91' ' ' SER . 70.3 t-105 -95.24 154.95 16.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.632 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.7 m -165.46 142.03 4.57 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.493 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -74.19 -0.09 9.15 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.38 2.053 . . . . 0.0 112.179 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -98.65 -43.67 6.73 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.985 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.9 pp -43.98 151.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.661 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 t -98.84 149.45 22.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.1 tp -52.9 -27.73 12.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.0 m -63.4 -37.27 86.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.034 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.567 ' HB3' ' HZ2' ' A' ' 101' ' ' LYS . 2.2 ttpm? -57.77 -51.1 70.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.173 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.9 p -69.22 -33.95 60.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.91 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.69 -50.02 75.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.567 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.456 HD13 ' SG ' ' A' ' 107' ' ' CYS . 4.1 mm? -68.05 -30.23 69.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.555 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 49.8 m -56.74 -33.48 66.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.627 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 85.0 mt -70.99 -56.07 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.551 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.456 ' SG ' HD13 ' A' ' 104' ' ' LEU . 15.1 p -54.4 -28.02 40.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.647 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 25.7 m -70.39 -46.27 64.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.54 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.54 -46.71 83.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.276 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 110' ' ' LEU . 0.2 OUTLIER -46.95 -35.52 6.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.34 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 15.8 t -73.05 -54.85 7.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.704 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -99.95 107.59 47.46 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.524 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -79.5 -162.97 0.2 Allowed 'Trans proline' 0 C--N 1.313 -1.336 0 C-N-CA 122.331 2.021 . . . . 0.0 112.084 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -155.25 74.2 5.47 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.668 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -79.56 74.69 5.43 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.766 2.311 . . . . 0.0 112.006 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -163.78 -58.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.585 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -146.64 58.21 4.26 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.46 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -72.46 -163.83 0.16 Allowed 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.741 2.294 . . . . 0.0 112.112 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.567 HD13 ' O ' ' A' ' 119' ' ' LEU . 0.2 OUTLIER -86.44 -37.87 17.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.562 -179.716 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 4.0 t -119.56 83.4 27.44 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.748 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo -53.57 -22.34 21.74 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.739 2.293 . . . . 0.0 112.282 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -61.92 -51.96 66.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.582 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 36.0 mt -72.17 -26.41 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.495 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.02 -41.96 85.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.716 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -55.11 -42.09 72.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.725 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 130' ' ' ASP . 36.1 mt -59.14 -56.18 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.549 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -57.5 -31.21 65.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.604 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -50.46 -45.33 56.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.442 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 34.9 p -136.02 -42.18 0.66 Allowed 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.296 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 126' ' ' ILE . 37.1 m-20 -75.72 93.02 3.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.834 0.35 . . . . 0.0 110.564 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.8 tpp85 -97.86 -29.97 13.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.596 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.538 ' O ' ' ND2' ' A' ' 135' ' ' ASN . 10.0 t70 -70.54 -36.75 73.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.668 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -81.79 -37.49 27.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.517 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 134' ' ' TYR . 32.6 t80 -52.05 -30.93 27.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 132' ' ' ASP . 18.6 p30 -83.05 -31.18 27.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.007 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.52 ' N ' ' OD1' ' A' ' 135' ' ' ASN . 16.9 ttm-85 -63.08 -50.06 72.05 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.653 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.555 HD12 ' N ' ' A' ' 137' ' ' ILE . 1.3 mp -63.53 -53.36 46.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 36.0 m -53.4 -53.57 49.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.384 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -55.23 -24.98 30.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.447 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -73.48 -50.04 23.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.758 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -78.25 1.14 22.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.826 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.614 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 28.8 m -76.47 -60.38 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.2 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -76.19 -31.85 58.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.11 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.22 -54.66 15.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.312 -179.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . 0.528 ' C ' ' H ' ' A' ' 147' ' ' MET . 83.3 m-85 -132.46 -33.06 1.28 Allowed 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.699 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 142' ' ' THR . . . -69.21 37.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.865 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . 0.528 ' H ' ' C ' ' A' ' 145' ' ' TYR . 32.3 mtt . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.276 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 30.2 ttp . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -130.94 147.77 52.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.498 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 17.6 pt -143.53 158.5 16.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.47 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -94.02 139.94 30.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.532 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 16.6 t -132.99 102.77 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.327 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -98.33 127.93 44.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.654 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.9 m -92.8 156.25 17.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.458 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.2 tp -55.94 -21.95 23.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.422 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 19.4 p -70.52 -10.35 59.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.557 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.72 -16.82 59.83 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -64.4 151.08 45.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.791 0.329 . . . . 0.0 110.562 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.3 m -137.0 133.25 35.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.511 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 17.6 pt -151.02 147.01 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.57 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 17.2 p -85.52 148.1 26.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.556 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.444 HD23 ' H ' ' B' ' 16' ' ' GLU . 0.5 OUTLIER -124.0 139.16 54.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.478 -179.602 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.444 ' H ' HD23 ' B' ' 15' ' ' LEU . 88.3 mt-10 -88.26 115.24 25.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.516 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 9.8 m -146.86 -177.68 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.488 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -141.38 131.14 12.81 Favored Pre-proline 0 CA--C 1.532 0.251 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.314 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -44.71 -31.18 4.77 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 122.285 1.99 . . . . 0.0 112.503 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.0 m -83.63 -17.2 42.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.078 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -75.14 133.05 41.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.464 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.93 144.92 54.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.389 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.417 HD11 HH22 ' B' ' 54' ' ' ARG . 12.3 mt -60.52 -28.26 42.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.421 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' B' ' 25' ' ' ASN . 8.5 pt-20 -49.73 -39.24 36.58 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.538 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.429 ' N ' ' CG ' ' B' ' 24' ' ' GLU . 13.7 t-20 -75.88 -36.4 59.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.694 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 95.4 t -52.91 -34.0 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -67.02 -28.87 68.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.351 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.55 -36.05 52.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -80.33 -30.99 38.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.468 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 14.5 tt -74.2 -35.77 41.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.046 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.568 ' HA ' HD12 ' B' ' 36' ' ' ILE . 20.9 pt20 -71.29 -38.06 71.81 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.562 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -75.07 -28.83 60.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.705 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -71.01 -49.95 39.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.269 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -95.25 -37.33 11.06 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.122 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.21 28.17 6.59 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.585 HD13 HE21 ' B' ' 41' ' ' GLN . 0.6 OUTLIER -109.66 142.98 26.91 Favored Pre-proline 0 CA--C 1.533 0.311 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 179.906 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.04 132.0 13.66 Favored 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 122.515 2.144 . . . . 0.0 112.276 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -73.68 -11.12 23.98 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.45 2.1 . . . . 0.0 112.089 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -59.8 -23.8 63.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.325 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -130.04 -20.9 3.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.679 0.276 . . . . 0.0 111.027 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.585 HE21 HD13 ' B' ' 36' ' ' ILE . 0.0 OUTLIER -85.94 82.64 8.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.342 . . . . 0.0 110.603 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 1.9 ptp85 -88.52 139.3 30.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.585 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.579 HD12 ' N ' ' B' ' 43' ' ' LEU . 7.8 mp -91.12 142.85 27.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.443 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.703 HD12 HG21 ' B' ' 70' ' ' VAL . 82.1 mt -136.0 142.29 39.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.666 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -133.6 125.4 28.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.306 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.38 28.94 17.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.636 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.73 28.1 61.7 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -135.79 129.84 33.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.842 0.353 . . . . 0.0 110.568 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -67.67 146.02 54.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.468 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 12.9 mt -87.83 159.9 18.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -108.59 139.09 43.85 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.255 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' B' ' 52' ' ' ASP . 0.7 OUTLIER -79.0 -27.14 43.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 -179.576 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.29 -64.89 3.41 Favored Glycine 0 CA--C 1.529 0.914 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.499 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.613 ' HE ' ' CB ' ' B' ' 58' ' ' ASP . 3.2 ptm180 -76.84 177.11 7.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.103 0.478 . . . . 0.0 111.813 -178.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.583 ' O ' ' NH2' ' B' ' 54' ' ' ARG . 0.6 OUTLIER -108.94 164.4 12.44 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.707 -179.777 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.515 HD22 HD12 ' B' ' 61' ' ' ILE . 12.5 mt -53.27 -14.95 0.8 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.3 t -57.13 -28.86 63.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.484 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.613 ' CB ' ' HE ' ' B' ' 54' ' ' ARG . 3.0 t0 -76.92 -45.33 28.27 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.203 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -72.45 -10.21 59.51 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.244 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 54.29 52.76 11.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.647 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.515 HD12 HD22 ' B' ' 56' ' ' LEU . 71.9 mt -91.22 95.53 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.585 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -54.31 -172.66 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.603 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -81.76 175.86 10.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.645 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.523 ' N ' ' OE1' ' B' ' 64' ' ' GLU . 0.4 OUTLIER 47.77 25.45 0.71 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.488 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 7.3 p -87.22 136.47 32.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.53 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 12.0 p -87.89 140.96 28.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.503 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.11 140.2 53.27 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.319 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -91.84 112.15 23.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.14 121.78 34.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.172 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.703 HG21 HD12 ' B' ' 44' ' ' ILE . 88.6 t -103.98 161.14 4.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.664 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.555 ' N ' HG12 ' B' ' 70' ' ' VAL . 14.8 tp -136.0 106.62 6.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.393 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -93.64 105.51 17.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.476 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.506 ' H ' HD12 ' B' ' 73' ' ' LEU . 4.0 mp -87.79 90.27 8.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.649 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.55 ' NE ' ' O ' ' B' ' 74' ' ' ARG . 0.0 OUTLIER -87.61 -46.91 9.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.296 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -153.35 -51.97 0.01 OUTLIER Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.757 0 CA-C-O 118.009 -1.439 . . . . 0.0 110.906 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.466 HD21 ' CZ ' ' A' ' 31' ' ' PHE . 26.6 mt -65.72 -20.22 66.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.57 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.473 ' HD2' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -79.1 -54.76 5.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.684 -179.888 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.703 ' HE ' ' N ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -55.48 -52.73 62.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.597 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 84.9 mt -53.09 -50.37 45.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.633 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' A' ' 3' ' ' LEU . 4.6 m-20 -52.93 -26.17 14.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.627 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -66.58 -44.08 83.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.442 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -61.58 -25.09 67.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.491 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.567 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -73.73 -42.34 61.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.398 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.5 m -63.52 -36.11 82.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.46 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -72.68 -29.2 63.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.558 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 mt -62.34 -49.11 76.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.461 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.06 -40.67 52.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.75 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.2 ttt85 -74.96 -11.33 60.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.567 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -170.96 74.15 0.55 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.583 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -62.26 133.6 44.39 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.737 2.291 . . . . 0.0 111.69 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -51.22 132.65 39.74 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 121.895 1.73 . . . . 0.0 111.508 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.12 -52.08 11.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.541 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.599 ' NE2' ' SG ' ' A' ' 107' ' ' CYS . 11.8 tt0 -84.27 6.86 21.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.317 -179.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.508 ' SG ' ' O ' ' A' ' 20' ' ' GLN . 44.3 m -153.95 -162.77 1.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.936 0.398 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.8 p -179.0 108.39 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.26 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.45 175.86 5.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.024 0.44 . . . . 0.0 110.951 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -176.07 136.67 3.37 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.533 -1.027 . . . . 0.0 110.533 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.86 143.28 32.97 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.329 2.02 . . . . 0.0 112.132 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.2 m -130.1 153.97 39.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.488 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.29 155.23 27.81 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -62.11 -24.5 67.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 110.457 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -95.34 157.01 16.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.66 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.402 ' HE2' ' HE1' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -90.49 6.79 42.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.389 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.466 ' CZ ' HD21 ' A' ' 3' ' ' LEU . 43.6 m-85 -81.24 -33.83 32.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.644 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -90.47 123.43 34.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.684 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.402 ' HE1' ' HE2' ' A' ' 30' ' ' MET . 4.4 m95 -127.02 173.43 9.66 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.882 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -146.56 175.16 10.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.803 0.335 . . . . 0.0 110.522 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.455 ' HB1' ' CD2' ' A' ' 103' ' ' LEU . . . -151.39 161.94 41.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.504 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.7 m -141.74 125.23 16.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.505 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 65.7 mt -130.27 139.8 50.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.562 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 19.6 ttm -104.18 152.79 21.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.459 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.533 ' O ' ' O ' ' A' ' 40' ' ' PRO . . . -68.16 124.35 19.54 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.533 ' O ' ' O ' ' A' ' 39' ' ' GLY . 82.4 Cg_exo -40.11 -109.88 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 122.689 2.259 . . . . 0.0 112.688 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.464 ' H ' ' HB2' ' A' ' 40' ' ' PRO . 64.3 m-80 -155.59 -68.15 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.78 0.324 . . . . 0.0 110.509 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -68.35 -6.92 26.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.553 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.406 ' C ' ' H ' ' A' ' 45' ' ' TYR . 4.9 m -81.91 151.17 66.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.414 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.92 38.4 0.31 Allowed 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.555 2.17 . . . . 0.0 112.09 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.406 ' H ' ' C ' ' A' ' 43' ' ' SER . 97.5 m-85 -141.73 27.1 1.86 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.578 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -48.9 116.89 1.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.595 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.8 43.94 26.69 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -107.69 115.72 4.63 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 m -106.8 109.86 29.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.93 0.395 . . . . 0.0 110.506 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.508 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 2.6 m-85 -104.13 160.84 14.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.531 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -140.17 111.92 7.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.753 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.2 pp -114.45 148.77 37.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.122 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -94.92 157.12 16.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.772 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.4 mt -131.61 115.48 28.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.148 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -112.31 127.74 56.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.586 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -108.62 104.79 55.46 Favored Pre-proline 0 CA--C 1.53 0.211 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.737 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -56.66 167.97 2.57 Favored 'Trans proline' 0 N--CA 1.492 1.432 0 C-N-CA 121.98 1.787 . . . . 0.0 111.363 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.448 ' H ' HG22 ' A' ' 58' ' ' THR . 0.0 OUTLIER -60.61 -40.83 93.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.95 0.405 . . . . 0.0 110.155 179.667 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -86.73 23.57 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.231 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.602 ' N ' ' CD ' ' A' ' 61' ' ' PRO . 19.6 t80 -59.46 -37.49 51.87 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.555 -179.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 60' ' ' TYR . 31.7 Cg_exo -57.82 -11.74 10.24 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.022 1.815 . . . . 0.0 112.023 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -123.47 -49.01 1.92 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -91.18 146.34 33.34 Favored Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.11 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -53.32 167.34 0.84 Allowed 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 122.349 2.033 . . . . 0.0 111.873 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -85.01 172.11 8.86 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.837 2.358 . . . . 0.0 112.19 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 42.6 tttm -114.39 82.14 1.66 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.229 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.6 t -81.33 148.07 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.704 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -147.44 125.68 12.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.611 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -86.4 115.81 24.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.284 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.7 p -79.13 -48.18 14.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.124 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.3 m -64.69 97.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.735 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.3 mtp85 -49.85 113.07 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.407 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.436 HG23 ' O ' ' A' ' 73' ' ' ILE . 13.2 tt -134.15 128.9 53.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.341 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.08 94.9 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.968 0.413 . . . . 0.0 110.097 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.787 ' CE1' HD21 ' A' ' 77' ' ' ASN . 1.0 OUTLIER -145.37 117.54 5.22 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.972 -179.566 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.534 ' C ' ' H ' ' A' ' 78' ' ' ILE . 81.6 Cg_exo -41.64 -51.46 4.32 Favored 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 122.319 2.013 . . . . 0.0 112.716 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.787 HD21 ' CE1' ' A' ' 75' ' ' HIS . 0.2 OUTLIER -63.93 7.07 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.82 -179.868 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.534 ' H ' ' C ' ' A' ' 76' ' ' PRO . 7.1 mt -147.88 129.19 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.922 0.391 . . . . 0.0 110.833 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.552 HD22 ' C ' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -99.94 -164.19 1.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.471 179.885 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 75.1 m -76.67 -7.48 55.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.466 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.52 ' H ' ' ND2' ' A' ' 79' ' ' ASN . 81.0 m-20 -90.31 -16.09 29.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.614 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.407 ' O ' ' CD1' ' A' ' 84' ' ' ILE . . . 91.88 -7.27 79.25 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.513 ' H ' HD21 ' A' ' 79' ' ' ASN . 53.1 m -54.94 118.13 4.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.716 0.293 . . . . 0.0 110.432 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.41 HD12 ' H ' ' A' ' 84' ' ' ILE . 3.4 mp -104.76 123.33 58.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.733 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 67.2 m -93.77 113.04 25.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.331 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.1 mt -123.83 175.59 6.81 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.527 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -69.14 -52.31 29.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.428 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.735 ' N ' HD13 ' A' ' 88' ' ' ILE . 0.2 OUTLIER -64.09 -31.86 55.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.034 -179.468 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.65 36.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.515 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.469 ' H ' ' C ' ' A' ' 88' ' ' ILE . 74.4 mtt180 -150.61 -120.16 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.546 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.497 ' C ' ' H ' ' A' ' 93' ' ' TRP . 16.1 p -85.89 -29.83 23.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.666 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.421 ' CD ' ' O ' ' A' ' 92' ' ' GLN . 0.0 OUTLIER -75.18 29.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.274 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.588 ' CE3' HD21 ' A' ' 97' ' ' LEU . 75.9 t-105 -87.81 155.96 19.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.773 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.54 ' O ' HD23 ' A' ' 97' ' ' LEU . 3.3 m -168.73 136.54 1.67 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.218 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -68.82 2.1 3.3 Favored 'Trans proline' 0 C--N 1.31 -1.462 0 C-N-CA 122.035 1.823 . . . . 0.0 112.027 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.05 -36.49 12.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.526 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.588 HD21 ' CE3' ' A' ' 93' ' ' TRP . 2.3 pp -53.8 152.1 5.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.587 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.3 p -107.68 174.0 6.07 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.937 0.399 . . . . 0.0 110.801 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.3 mm -87.42 -20.69 7.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.452 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.2 m -57.82 -48.69 79.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.785 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.63 -34.73 76.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 69.0 t -52.5 -33.93 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.485 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.455 ' CD2' ' HB1' ' A' ' 35' ' ' ALA . 19.1 mt -61.22 -42.43 98.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.156 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 15.2 mt -67.3 -36.05 80.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.37 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.2 m -52.1 -45.99 65.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.514 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 69.9 mt -68.03 -42.77 85.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.421 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.599 ' SG ' ' NE2' ' A' ' 20' ' ' GLN . 6.4 t -59.88 -50.44 73.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.391 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.0 t -51.92 -45.71 64.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.464 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -64.05 -52.02 61.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.156 179.831 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.403 HD12 ' CD2' ' A' ' 75' ' ' HIS . 2.5 tp -54.14 -26.03 25.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.463 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 9.5 t -68.92 -43.05 75.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.521 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -146.28 129.69 8.28 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.335 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -76.4 -163.65 0.21 Allowed 'Trans proline' 0 N--CA 1.492 1.422 0 C-N-CA 122.286 1.991 . . . . 0.0 112.124 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.571 ' O ' ' O ' ' A' ' 115' ' ' PRO . 13.5 t-20 -161.78 118.53 1.34 Allowed Pre-proline 0 CA--C 1.533 0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.319 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.571 ' O ' ' O ' ' A' ' 114' ' ' ASN . 96.9 Cg_exo -42.34 -118.22 0.0 OUTLIER 'Trans proline' 0 N--CA 1.497 1.73 0 C-N-CA 122.687 2.258 . . . . 0.0 112.804 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 116' ' ' ASP . 0.5 OUTLIER 59.73 -152.57 0.39 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.841 0.353 . . . . 0.0 110.722 -179.761 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -135.15 71.04 68.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.07 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -61.94 -151.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.985 2.457 . . . . 0.0 112.323 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.2 mt -55.18 -59.13 5.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.86 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.8 t -117.95 84.27 20.71 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.803 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -50.56 -19.76 5.38 Favored 'Trans proline' 0 C--N 1.309 -1.543 0 C-N-CA 122.664 2.242 . . . . 0.0 112.21 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -61.84 -52.06 65.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.464 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 79.0 mt -57.38 -41.47 78.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.511 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.98 -36.09 81.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.553 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -56.25 -34.21 66.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.426 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 65.0 mt -74.1 -47.26 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.293 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -60.09 -30.74 69.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.733 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.02 -68.12 0.2 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.016 -178.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.53 HG23 ' N ' ' A' ' 130' ' ' ASP . 14.5 t -109.95 -42.28 4.26 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.733 0.302 . . . . 0.0 111.234 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.53 ' N ' HG23 ' A' ' 129' ' ' THR . 1.6 m-20 -76.33 81.53 3.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.732 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.449 ' HE ' ' HA ' ' A' ' 131' ' ' ARG . 0.1 OUTLIER -89.92 -32.12 16.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.301 179.743 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -55.19 -49.03 72.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.632 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -70.34 -49.44 49.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.447 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -48.08 -31.25 5.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.441 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -72.03 -32.57 67.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.617 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -69.74 -50.11 46.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.765 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.569 HD12 ' N ' ' A' ' 137' ' ' ILE . 1.5 mp -61.47 -55.02 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.585 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . 0.432 ' O ' ' OG1' ' A' ' 142' ' ' THR . 38.9 m -52.41 -41.15 62.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.287 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 31.4 ttt85 -77.55 -26.49 50.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.296 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' A' ' 140' ' ' GLU . 0.0 OUTLIER -73.58 -50.11 22.91 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.642 -179.738 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -71.42 1.32 6.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.953 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.619 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 97.4 m -78.0 -60.24 2.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.876 0.369 . . . . 0.0 111.149 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -69.65 -31.79 70.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.422 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -52.58 -50.27 63.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.787 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . 0.462 ' C ' ' H ' ' A' ' 147' ' ' MET . 44.8 m-85 -133.21 -33.12 1.15 Allowed 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 120.594 -0.442 . . . . 0.0 112.063 -178.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 142' ' ' THR . . . -69.53 43.75 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.981 -179.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . 0.462 ' H ' ' C ' ' A' ' 145' ' ' TYR . 4.9 mmt . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.229 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.9 tpp . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -73.62 105.91 5.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.435 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 37.2 pt -124.26 159.79 29.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.654 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -97.06 142.33 29.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.263 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 76.4 t -129.84 103.04 7.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.394 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -90.14 155.09 19.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.514 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 6.0 m -132.69 160.96 35.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.502 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.593 ' O ' HD23 ' B' ' 8' ' ' LEU . 0.9 OUTLIER -56.06 -39.14 71.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.485 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.479 ' C ' ' H ' ' B' ' 11' ' ' LYS . 20.5 p -75.21 19.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' B' ' 8' ' ' LEU . . . 74.56 -21.69 1.48 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.479 ' H ' ' C ' ' B' ' 9' ' ' THR . 5.8 tmtm? -44.11 115.91 0.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.716 0.293 . . . . 0.0 110.387 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -135.78 122.78 21.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.729 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 12.3 pt -151.03 145.3 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.419 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.96 139.92 57.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.377 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.484 HD12 ' HD2' ' B' ' 33' ' ' LYS . 0.8 OUTLIER -116.67 165.13 13.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.555 -179.747 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -117.33 119.79 36.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.197 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.415 HG12 ' N ' ' B' ' 18' ' ' GLU . 3.7 t -133.4 161.25 41.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.939 0.399 . . . . 0.0 110.961 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' B' ' 20' ' ' SER . 3.5 tp10 -104.17 124.74 36.42 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.051 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -44.86 -10.73 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 122.226 1.951 . . . . 0.0 112.465 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.541 ' N ' ' O ' ' B' ' 18' ' ' GLU . 4.4 m -112.03 -17.2 12.91 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.894 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' B' ' 18' ' ' GLU . 18.9 m-20 -62.55 136.21 57.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 110.379 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.2 p -81.79 176.49 9.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.607 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.569 HG22 ' NZ ' ' B' ' 27' ' ' LYS . 7.6 mm -75.0 -20.16 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.721 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -70.15 -32.42 70.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.938 0.399 . . . . 0.0 110.121 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.31 -44.11 13.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.042 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -52.74 -33.95 19.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.246 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.569 ' NZ ' HG22 ' B' ' 23' ' ' ILE . 35.6 mttp -62.8 -31.27 72.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.9 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.15 -27.66 53.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.66 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -76.1 -29.61 57.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.05 -179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.657 HD13 HD12 ' B' ' 69' ' ' LEU . 90.1 mt -75.51 -52.35 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.732 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.34 -29.94 64.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 110.352 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -75.2 -29.0 60.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.727 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.484 ' HD2' HD12 ' B' ' 15' ' ' LEU . 25.1 ttmt -100.45 -17.64 17.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.26 -179.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' B' ' 30' ' ' ILE . 33.7 mt-10 -108.46 -36.98 6.08 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 121.111 -0.236 . . . . 0.0 110.602 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.67 -22.21 34.56 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.408 HG21 HD13 ' B' ' 36' ' ' ILE . 4.2 pt -61.69 114.96 12.68 Favored Pre-proline 0 CA--C 1.533 0.326 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.376 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.35 142.0 38.85 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.163 1.909 . . . . 0.0 112.344 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.483 ' C ' ' H ' ' B' ' 40' ' ' GLN . 72.3 Cg_exo -43.08 -39.62 8.28 Favored 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 122.702 2.268 . . . . 0.0 112.755 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -55.18 -1.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.733 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.483 ' H ' ' C ' ' B' ' 38' ' ' PRO . 59.6 mt-30 -126.22 -1.81 6.99 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 121.001 -0.279 . . . . 0.0 111.159 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.68 HE21 ' N ' ' B' ' 41' ' ' GLN . 0.0 OUTLIER -76.98 121.19 23.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.961 0.41 . . . . 0.0 111.491 -179.371 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -145.36 105.3 4.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.719 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.508 ' N ' HD22 ' B' ' 43' ' ' LEU . 3.7 mm? -85.86 139.71 31.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.101 0.476 . . . . 0.0 111.097 -179.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' B' ' 49' ' ' GLN . 2.4 tp -137.97 131.76 42.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.917 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -139.54 137.05 35.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.612 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.92 37.97 25.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.54 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.43 15.07 58.69 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -126.26 137.02 53.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.805 0.336 . . . . 0.0 110.501 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.462 ' HA ' HD12 ' B' ' 44' ' ' ILE . 19.3 pt20 -74.53 142.0 44.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.499 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.788 ' N ' HD12 ' B' ' 50' ' ' LEU . 4.7 mp -87.91 132.89 34.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.592 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -61.33 148.29 41.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.291 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -68.98 -24.75 64.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.857 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -117.72 73.29 0.29 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.475 ' CB ' ' OH ' ' B' ' 59' ' ' TYR . 1.8 mmt-85 -153.27 144.89 23.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.789 0.328 . . . . 0.0 110.194 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.46 ' OG1' ' OD2' ' B' ' 58' ' ' ASP . 6.9 p -91.65 147.43 23.01 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.599 HD12 HG13 ' B' ' 61' ' ' ILE . 1.9 mm? -58.65 -36.9 74.86 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.687 -0.405 . . . . 0.0 109.954 -179.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.434 ' O ' ' ND2' ' B' ' 60' ' ' ASN . 30.9 t -55.83 -29.06 59.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.607 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.46 ' OD2' ' OG1' ' B' ' 55' ' ' THR . 64.1 m-20 -64.27 -45.12 89.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.673 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.475 ' OH ' ' CB ' ' B' ' 54' ' ' ARG . 24.6 m-85 -80.32 -1.39 40.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.427 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . 0.439 ' N ' HD22 ' B' ' 60' ' ' ASN . 1.5 m120 56.52 69.32 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.599 HG13 HD12 ' B' ' 56' ' ' LEU . 30.9 mm -81.23 166.56 2.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.256 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.575 ' N ' HG22 ' B' ' 61' ' ' ILE . 74.1 mt-30 -124.31 158.18 33.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.468 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.71 ' HZ2' ' CD ' ' B' ' 64' ' ' GLU . 4.9 ttpp -56.19 144.97 27.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.276 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.71 ' CD ' ' HZ2' ' B' ' 63' ' ' LYS . 7.3 mp0 55.6 29.41 13.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.402 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.1 t -52.6 168.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.556 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.9 m -130.19 110.7 11.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.647 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -122.42 155.42 36.13 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.126 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -110.51 144.56 39.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.328 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.657 HD12 HD13 ' B' ' 30' ' ' ILE . 5.5 tt -122.65 118.41 28.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.667 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.623 ' N ' HD23 ' B' ' 69' ' ' LEU . 17.1 m -104.94 136.21 39.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.329 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 24.9 mt -84.23 115.66 22.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.527 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.441 ' HG2' ' H ' ' B' ' 72' ' ' ARG . 13.0 ptm180 -85.67 121.21 28.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.444 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 2.8 mp -112.35 144.77 41.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.447 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -108.43 -88.48 0.48 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.603 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 170.25 177.79 40.7 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.779 0 CA-C-O 118.013 -1.437 . . . . 0.0 110.967 -179.966 . . . . . . . . 0 0 . 1 stop_ save_